From 9ce92c89d5945701e95b844c33c1a59aff3c797a Mon Sep 17 00:00:00 2001 From: lindahl Date: Mon, 14 May 2001 18:04:36 +0000 Subject: [PATCH] Tagged files with gromacs 3.0 header and added some license info --- COPYING | 341 ++++++++++++ README | 76 +++ aclocal.m4 | 467 +++------------- configure | 961 ++++++++++++--------------------- configure.in | 3 +- include/3dview.h | 33 +- include/assert.h | 33 +- include/atomprop.h | 34 +- include/axp_asm.h | 37 +- include/binio.h | 33 +- include/block_tx.h | 34 +- include/bondf.h | 34 +- include/buffer.h | 37 +- include/calcgrid.h | 36 +- include/calch.h | 36 +- include/calcmu.h | 36 +- include/callf77.h | 36 +- include/comlib.h | 36 +- include/complex.h | 36 +- include/comtest.h | 36 +- include/confio.h | 36 +- include/constr.h | 36 +- include/copyrite.h | 36 +- include/delay.h | 36 +- include/disre.h | 34 +- include/do_fit.h | 34 +- include/do_md.h | 34 +- include/do_nm.h | 34 +- include/dummies.h | 34 +- include/ebin.h | 34 +- include/edsam.h | 34 +- include/enxio.h | 38 +- include/ewald.h | 34 +- include/ewald_util.h | 36 +- include/fatal.h | 36 +- include/ffscanf.h | 37 +- include/fftgrid.h | 36 +- include/fftw_wrapper.h | 36 +- include/filenm.h | 36 +- include/force.h | 36 +- include/futil.h | 36 +- include/gbutil.h | 36 +- include/general.h | 36 +- include/gmxfio.h | 36 +- include/grompp.h | 36 +- include/gstat.h | 36 +- include/index.h | 36 +- include/init.h | 34 +- include/inloop.h | 34 +- include/invblock.h | 34 +- include/javaio.h | 34 +- include/list.h | 34 +- include/macros.h | 34 +- include/magic.h | 34 +- include/main.h | 34 +- include/maths.h | 34 +- include/matio.h | 36 +- include/mdatoms.h | 36 +- include/mdebin.h | 36 +- include/mdrun.h | 36 +- include/memdump.h | 36 +- include/memtab.h | 36 +- include/memtest.h | 36 +- include/metacode.h | 37 ++ include/mpiio.h | 36 +- include/mshift.h | 36 +- include/mvdata.h | 36 +- include/names.h | 36 +- include/network.h | 36 +- include/nhash.h | 36 +- include/nr.h | 34 +- include/nrama.h | 34 +- include/nrjac.h | 34 +- include/nrnb.h | 34 +- include/ns.h | 34 +- include/nsb.h | 34 +- include/nsgrid.h | 34 +- include/pbc.h | 34 +- include/pdbio.h | 34 +- include/pdebug.h | 36 +- include/physics.h | 36 +- include/pme.h | 36 +- include/pppm.h | 36 +- include/princ.h | 36 +- include/pull.h | 37 +- include/random.h | 36 +- include/rbin.h | 36 +- include/rdgroup.h | 36 +- include/rdklib.h | 36 +- include/readcomp.h | 36 +- include/readinp.h | 36 +- include/renum.h | 36 +- include/reorder.h | 36 +- include/rmpbc.h | 36 +- include/rwtop.h | 36 +- include/sheader.h | 36 +- include/shift.h | 36 +- include/shift_util.h | 36 +- include/sim_util.h | 36 +- include/smalloc.h | 36 +- include/sortwater.h | 37 ++ include/split.h | 36 +- include/statusio.h | 36 +- include/statutil.h | 36 +- include/steep.h | 36 +- include/strdb.h | 36 +- include/string2.h | 36 +- include/struc2.h | 36 +- include/superb.h | 36 +- include/symtab.h | 36 +- include/sync.h | 36 +- include/synclib.h | 36 +- include/sysstuff.h | 36 +- include/systest.h | 36 +- include/tags.h | 36 +- include/tgroup.h | 36 +- include/tpxio.h | 36 +- include/transfer.h | 36 +- include/trnio.h | 36 +- include/txtdump.h | 36 +- include/typedefs.h | 92 ++-- include/types/Makefile.am | 6 +- include/types/atoms.h | 36 +- include/types/block.h | 36 +- include/types/commrec.h | 36 +- include/types/drblock.h | 36 +- include/types/edsams.h | 36 +- include/types/energy.h | 36 +- include/types/enums.h | 36 +- include/types/filenm.h | 37 +- include/types/forcerec.h | 36 +- include/types/graph.h | 36 +- include/types/group.h | 36 +- include/types/idef.h | 36 +- include/types/ifunc.h | 36 +- include/types/inputrec.h | 36 +- include/types/ishift.h | 36 +- include/types/matrix.h | 36 +- include/types/mdatom.h | 36 +- include/types/nblist.h | 36 +- include/types/nbslist.h | 36 +- include/types/nrnb.h | 37 +- include/types/nsborder.h | 36 +- include/types/nsgrid.h | 37 +- include/types/parm.h | 36 +- include/types/pulls.h | 36 +- include/types/simple.h | 36 +- include/types/symtab.h | 37 +- include/types/topology.h | 36 +- include/types/trx.h | 36 +- include/update.h | 36 +- include/utils.h | 36 +- include/vcm.h | 36 +- include/vec.h | 38 +- include/viewit.h | 36 +- include/vveclib.h | 36 +- include/wgms.h | 36 +- include/wman.h | 36 +- include/writeps.h | 36 +- include/x86_3dnow.h | 37 ++ include/x86_cpu.h | 37 ++ include/x86_sse.h | 37 ++ include/xdrf.h | 36 +- include/xtcio.h | 36 +- include/xvgr.h | 36 +- share/template/Template.mak.in | 12 +- share/template/template.c | 10 +- src/Makefile.am | 2 +- src/contrib/Makefile.am | 46 +- src/contrib/Makefile.in | 540 ++++++++++++++++++ src/contrib/README | 15 + src/contrib/addquote.c | 37 +- src/contrib/anaf.c | 36 +- src/contrib/calcfdev.c | 36 +- src/contrib/copyrgt.c | 94 ++-- src/contrib/do_gct.c | 36 +- src/contrib/do_gct.h | 36 +- src/contrib/do_shift.c | 36 +- src/contrib/dsspcore.c | 36 +- src/contrib/g_anavel.c | 38 +- src/contrib/gctio.c | 36 +- src/contrib/glaasje.c | 36 +- src/contrib/glaasje.h | 36 +- src/contrib/glasmd.c | 36 +- src/contrib/hexamer.c | 38 +- src/contrib/hrefify.c | 36 +- src/contrib/init_sh.c | 36 +- src/contrib/init_sh.h | 36 +- src/contrib/intest.f | 42 +- src/contrib/ion_data.h | 36 +- src/contrib/ionize.c | 36 +- src/contrib/ionize.h | 36 +- src/contrib/mk6_n.c | 37 +- src/{ => contrib}/mkcompl | 0 src/{ => contrib}/mkhtml | 0 src/contrib/mkice.c | 36 +- src/{ => contrib}/mknroff | 0 src/contrib/mkyaw.c | 36 +- src/contrib/my_dssp.c | 36 +- src/contrib/optwat.c | 36 +- src/contrib/prfn.c | 36 +- src/contrib/relax_sh.c | 36 +- src/contrib/sigeps.c | 38 +- src/contrib/xmdrun.c | 36 +- src/ngmx/Xstuff.h | 36 +- src/ngmx/alert.bm | 39 +- src/ngmx/buttons.c | 36 +- src/ngmx/buttons.h | 36 +- src/ngmx/dialogs.c | 36 +- src/ngmx/dialogs.h | 36 +- src/ngmx/dlg.c | 36 +- src/ngmx/ff.bm | 53 +- src/ngmx/fgrid.c | 36 +- src/ngmx/fgrid.h | 36 +- src/ngmx/filter.c | 36 +- src/ngmx/gmxlogo.c | 36 +- src/ngmx/gromacs.bm | 40 +- src/ngmx/highway.c | 36 +- src/ngmx/info.bm | 39 +- src/ngmx/logo.c | 36 +- src/ngmx/logo.h | 36 +- src/ngmx/manager.c | 36 +- src/ngmx/manager.h | 36 +- src/ngmx/molps.c | 36 +- src/ngmx/molps.h | 36 +- src/ngmx/nener.c | 36 +- src/ngmx/nener.h | 36 +- src/ngmx/ngmx.c | 36 +- src/ngmx/nleg.c | 36 +- src/ngmx/nleg.h | 36 +- src/ngmx/nload.c | 36 +- src/ngmx/nload.h | 36 +- src/ngmx/nmol.c | 36 +- src/ngmx/nmol.h | 36 +- src/ngmx/play.bm | 53 +- src/ngmx/popup.c | 36 +- src/ngmx/popup.h | 36 +- src/ngmx/pulldown.c | 36 +- src/ngmx/pulldown.h | 36 +- src/ngmx/rama.bm | 54 +- src/ngmx/rewind.bm | 54 +- src/ngmx/scrollw.c | 36 +- src/ngmx/showcol.c | 36 +- src/ngmx/stop.bm | 39 +- src/ngmx/stop_ani.bm | 53 +- src/ngmx/vbox.c | 36 +- src/ngmx/x11.c | 36 +- src/ngmx/x11.h | 36 +- src/ngmx/xdlg.c | 36 +- src/ngmx/xdlg.h | 36 +- src/ngmx/xdlghi.c | 36 +- src/ngmx/xdlghi.h | 36 +- src/ngmx/xdlgitem.c | 36 +- src/ngmx/xdlgitem.h | 36 +- src/ngmx/xmb.c | 36 +- src/ngmx/xmb.h | 36 +- src/ngmx/xrama.c | 36 +- src/ngmx/xstat.c | 36 +- src/ngmx/xutil.c | 36 +- src/ngmx/xutil.h | 36 +- 260 files changed, 6846 insertions(+), 4631 deletions(-) create mode 100644 COPYING create mode 100644 README create mode 100644 src/contrib/README rename src/{ => contrib}/mkcompl (100%) rename src/{ => contrib}/mkhtml (100%) rename src/{ => contrib}/mknroff (100%) diff --git a/COPYING b/COPYING new file mode 100644 index 0000000000..eb47f5dc36 --- /dev/null +++ b/COPYING @@ -0,0 +1,341 @@ + GNU GENERAL PUBLIC LICENSE + Version 2, June 1991 + + Copyright (C) 1989, 1991 Free Software Foundation, Inc. + 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA + + Everyone is permitted to copy and distribute verbatim copies + of this license document, but changing it is not allowed. + + Preamble + + The licenses for most software are designed to take away your +freedom to share and change it. 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If this is what you want to do, use the GNU Library General +Public License instead of this License. diff --git a/README b/README new file mode 100644 index 0000000000..b830864f32 --- /dev/null +++ b/README @@ -0,0 +1,76 @@ + + Welcome to the official version of GROMACS! + +Starting with version 3.0, a lot of things have changed. Not only is the +code significantly faster, but we also have a completely new installation +process and license the package under the GPL (see the COPYING file). + +If you are familiar with unix, it should be fairly trivial to compile and +install GROMACS. Installation instructions are available in the INSTALL file, +and a more extended step-by-step guide can be found on http://www.gromacs.org . + +There are also several other online resources available from the homepage, +and special information for developers. 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For the same reason, it is important that you +can reproduce other people's result from a certain GROMACS version. + +The easiest way to avoid this kind of problems is to get your modifications +included in the main distribution. We'll be happy to consider any decent +code. If it's a separate program it can probably be included in the contrib +directory straight away (not supported by us), but for major changes in the +main code we appreciate if you first test that it works with MPI, +double precision, fortran code, etc. + +If you still want to distribute a modified version or use part of GROMACS +in your own program, remember that the entire modified must be licensed +under GPL, and that it must clearly be labeled as derived work. It should +not use the name "official GROMACS", and make sure support questions are +directed to you instead of the GROMACS developers. +Sorry for the hard wording, but it is meant to protect YOUR reseach results! + + * * * * * + +The development of GROMACS is mainly funded by academic research grants. +To help us fund development, we humbly ask that you cite the GROMACS papers: + +* GROMACS: A message-passing parallel molecular dynamics implementation + H.J.C. Berendsen, D. van der Spoel and R. van Drunen + Comp. Phys. Comm. 91, 43-56 (1995) + +* GROMACS 3.0: A package for molecular simulation and trajectory analysis + Erik Lindahl, Berk Hess and David van der Spoel + Submitted to J. Mol. Mod., up-to-date info will be added to the homepage. + +There are a lot of cool features we'd like to include in future versions, +but our resources are limited. All kinds of donations are welcome, both in +form of code, hardware and funding! Industrial users who choose to pay +for a license pro bono (it is still GPL and can be redistributed freely) or +contribute in other ways are listed as GROMACS supporters on our webpages. +Don't hesitate to contact us at gromacs@gromacs.org if you are interested. + + + Good luck with your simulations! + + The GROMACS Crew + + + + + + + + diff --git a/aclocal.m4 b/aclocal.m4 index 6649ec70d4..cccc31a02e 100644 --- a/aclocal.m4 +++ b/aclocal.m4 @@ -1,15 +1,14 @@ -# aclocal.m4 generated automatically by aclocal 1.4d +dnl aclocal.m4 generated automatically by aclocal 1.4-p1 -# Copyright 1994, 1995, 1996, 1997, 1998, 1999, 2000 -# Free Software Foundation, Inc. -# This file is free software; the Free Software Foundation -# gives unlimited permission to copy and/or distribute it, -# with or without modifications, as long as this notice is preserved. +dnl Copyright (C) 1994, 1995-8, 1999 Free Software Foundation, Inc. +dnl This file is free software; the Free Software Foundation +dnl gives unlimited permission to copy and/or distribute it, +dnl with or without modifications, as long as this notice is preserved. -# This program is distributed in the hope that it will be useful, -# but WITHOUT ANY WARRANTY, to the extent permitted by law; without -# even the implied warranty of MERCHANTABILITY or FITNESS FOR A -# PARTICULAR PURPOSE. +dnl This program is distributed in the hope that it will be useful, +dnl but WITHOUT ANY WARRANTY, to the extent permitted by law; without +dnl even the implied warranty of MERCHANTABILITY or FITNESS FOR A +dnl PARTICULAR PURPOSE. # ACX_CHECK_FFTW() @@ -860,113 +859,57 @@ fi # some checks are only needed if your package does certain things. # But this isn't really a big deal. -# serial 5 - -# There are a few dirty hacks below to avoid letting `AC_PROG_CC' be -# written in clear, in which case automake, when reading aclocal.m4, -# will think it sees a *use*, and therefore will trigger all it's -# C support machinery. 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We must strip everything past the first ":", +dnl and everything past the last "/". +AC_OUTPUT_COMMANDS(changequote(<<,>>)dnl +ifelse(patsubst(<<$1>>, <<[^ ]>>, <<>>), <<>>, +<>CONFIG_HEADERS" || echo timestamp > patsubst(<<$1>>, <<^\([^:]*/\)?.*>>, <<\1>>)stamp-h<<>>dnl>>, +<>; do + case " <<$>>CONFIG_HEADERS " in + *" <<$>>am_file "*<<)>> + echo timestamp > `echo <<$>>am_file | sed -e 's%:.*%%' -e 's%[^/]*$%%'`stamp-h$am_indx + ;; + esac + am_indx=`expr "<<$>>am_indx" + 1` +done<<>>dnl>>) +changequote([,]))]) -# AM_CONDITIONAL(NAME, SHELL-CONDITION) -# ------------------------------------- # Define a conditional. -AC_DEFUN([AM_CONDITIONAL], -[AC_SUBST([$1_TRUE]) -AC_SUBST([$1_FALSE]) + +AC_DEFUN(AM_CONDITIONAL, +[AC_SUBST($1_TRUE) +AC_SUBST($1_FALSE) if $2; then $1_TRUE= $1_FALSE='#' diff --git a/configure b/configure index e9318531da..cc8a044cd3 100755 --- a/configure +++ b/configure @@ -11,9 +11,6 @@ ac_help= ac_default_prefix=/usr/local # Any additions from configure.in: -ac_help="$ac_help - --disable-dependency-tracking Speeds up one-time builds - --enable-dependency-tracking Do not reject slow dependency extractors" ac_default_prefix=/usr/local/gromacs ac_help="$ac_help --enable-mpi Compile parallel version of Gromacs" @@ -608,7 +605,7 @@ ac_configure=$ac_aux_dir/configure # This should be Cygnus configure. # SVR4 /usr/ucb/install, which tries to use the nonexistent group "staff" # ./install, which can be erroneously created by make from ./install.sh. echo $ac_n "checking for a BSD compatible install""... $ac_c" 1>&6 -echo "configure:612: checking for a BSD compatible install" >&5 +echo "configure:609: checking for a BSD compatible install" >&5 if test -z "$INSTALL"; then if eval "test \"`echo '$''{'ac_cv_path_install'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -661,23 +658,23 @@ test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL_PROGRAM}' test -z "$INSTALL_DATA" && INSTALL_DATA='${INSTALL} -m 644' echo $ac_n "checking whether build environment is sane""... $ac_c" 1>&6 -echo "configure:665: checking whether build environment is sane" >&5 +echo "configure:662: checking whether build environment is sane" >&5 # Just in case sleep 1 -echo timestamp > conftest.file +echo timestamp > conftestfile # Do `set' in a subshell so we don't clobber the current shell's # arguments. Must try -L first in case configure is actually a # symlink; some systems play weird games with the mod time of symlinks # (eg FreeBSD returns the mod time of the symlink's containing # directory). if ( - set X `ls -Lt $srcdir/configure conftest.file 2> /dev/null` + set X `ls -Lt $srcdir/configure conftestfile 2> /dev/null` if test "$*" = "X"; then # -L didn't work. - set X `ls -t $srcdir/configure conftest.file` + set X `ls -t $srcdir/configure conftestfile` fi - if test "$*" != "X $srcdir/configure conftest.file" \ - && test "$*" != "X conftest.file $srcdir/configure"; then + if test "$*" != "X $srcdir/configure conftestfile" \ + && test "$*" != "X conftestfile $srcdir/configure"; then # If neither matched, then we have a broken ls. This can happen # if, for instance, CONFIG_SHELL is bash and it inherits a @@ -687,7 +684,7 @@ if ( alias in your environment" 1>&2; exit 1; } fi - test "$2" = conftest.file + test "$2" = conftestfile ) then # Ok. @@ -717,53 +714,8 @@ test "$program_suffix" != NONE && # sed with no file args requires a program. test "$program_transform_name" = "" && program_transform_name="s,x,x," -test x"${MISSING+set}" = xset || - MISSING="\${SHELL} `CDPATH=:; cd $ac_aux_dir && pwd`/missing" -# Use eval to expand $SHELL -if eval "$MISSING --run :"; then - am_missing_run="$MISSING --run " -else - am_missing_run= - am_backtick='`' - echo "configure: warning: ${am_backtick}missing' script is too old or missing" 1>&2 -fi - -for ac_prog in mawk gawk nawk awk -do -# Extract the first word of "$ac_prog", so it can be a program name with args. -set dummy $ac_prog; ac_word=$2 -echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:737: checking for $ac_word" >&5 -if eval "test \"`echo '$''{'ac_cv_prog_AWK'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 -else - if test -n "$AWK"; then - ac_cv_prog_AWK="$AWK" # Let the user override the test. -else - IFS="${IFS= }"; ac_save_ifs="$IFS"; IFS=":" - ac_dummy="$PATH" - for ac_dir in $ac_dummy; do - test -z "$ac_dir" && ac_dir=. - if test -f $ac_dir/$ac_word; then - ac_cv_prog_AWK="$ac_prog" - break - fi - done - IFS="$ac_save_ifs" -fi -fi -AWK="$ac_cv_prog_AWK" -if test -n "$AWK"; then - echo "$ac_t""$AWK" 1>&6 -else - echo "$ac_t""no" 1>&6 -fi - -test -n "$AWK" && break -done - echo $ac_n "checking whether ${MAKE-make} sets \${MAKE}""... $ac_c" 1>&6 -echo "configure:767: checking whether ${MAKE-make} sets \${MAKE}" >&5 +echo "configure:719: checking whether ${MAKE-make} sets \${MAKE}" >&5 set dummy ${MAKE-make}; ac_make=`echo "$2" | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_prog_make_${ac_make}_set'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -789,51 +741,14 @@ else SET_MAKE="MAKE=${MAKE-make}" fi -# Check whether --enable-dependency-tracking or --disable-dependency-tracking was given. -if test "${enable_dependency_tracking+set}" = set; then - enableval="$enable_dependency_tracking" - : -fi - -if test "x$enable_dependency_tracking" = xno; then - AMDEP="#" -else - am_depcomp="$ac_aux_dir/depcomp" - if test ! -f "$am_depcomp"; then - AMDEP="#" - else - AMDEP= - fi -fi - -if test -z "$AMDEP"; then - AMDEPBACKSLASH='\' -else - AMDEPBACKSLASH= -fi - - +PACKAGE=gromacs -if test -d .deps || mkdir .deps 2> /dev/null || test -d .deps; then - DEPDIR=.deps - # We redirect because .deps might already exist and be populated. - # In this situation we don't want to see an error. - rmdir .deps > /dev/null 2>&1 -else - DEPDIR=_deps -fi - +VERSION=3.0 -# test to see if srcdir already configured -if test "`CDPATH=:; cd $srcdir && pwd`" != "`pwd`" && - test -f $srcdir/config.status; then - { echo "configure: error: source directory already configured; run \"make distclean\" there first" 1>&2; exit 1; } +if test "`cd $srcdir && pwd`" != "`pwd`" && test -f $srcdir/config.status; then + { echo "configure: error: source directory already configured; run "make distclean" there first" 1>&2; exit 1; } fi - -# Define the identity of the package. -PACKAGE=gromacs -VERSION=3.0b cat >> confdefs.h <> confdefs.h <&6 +echo "configure:765: checking for working aclocal" >&5 +# Run test in a subshell; some versions of sh will print an error if +# an executable is not found, even if stderr is redirected. +# Redirect stdin to placate older versions of autoconf. Sigh. +if (aclocal --version) < /dev/null > /dev/null 2>&1; then + ACLOCAL=aclocal + echo "$ac_t""found" 1>&6 +else + ACLOCAL="$missing_dir/missing aclocal" + echo "$ac_t""missing" 1>&6 +fi +echo $ac_n "checking for working autoconf""... $ac_c" 1>&6 +echo "configure:778: checking for working autoconf" >&5 +# Run test in a subshell; some versions of sh will print an error if +# an executable is not found, even if stderr is redirected. +# Redirect stdin to placate older versions of autoconf. Sigh. +if (autoconf --version) < /dev/null > /dev/null 2>&1; then + AUTOCONF=autoconf + echo "$ac_t""found" 1>&6 +else + AUTOCONF="$missing_dir/missing autoconf" + echo "$ac_t""missing" 1>&6 +fi +echo $ac_n "checking for working automake""... $ac_c" 1>&6 +echo "configure:791: checking for working automake" >&5 +# Run test in a subshell; some versions of sh will print an error if +# an executable is not found, even if stderr is redirected. +# Redirect stdin to placate older versions of autoconf. Sigh. +if (automake --version) < /dev/null > /dev/null 2>&1; then + AUTOMAKE=automake + echo "$ac_t""found" 1>&6 +else + AUTOMAKE="$missing_dir/missing automake" + echo "$ac_t""missing" 1>&6 +fi +echo $ac_n "checking for working autoheader""... $ac_c" 1>&6 +echo "configure:804: checking for working autoheader" >&5 +# Run test in a subshell; some versions of sh will print an error if +# an executable is not found, even if stderr is redirected. +# Redirect stdin to placate older versions of autoconf. Sigh. +if (autoheader --version) < /dev/null > /dev/null 2>&1; then + AUTOHEADER=autoheader + echo "$ac_t""found" 1>&6 +else + AUTOHEADER="$missing_dir/missing autoheader" + echo "$ac_t""missing" 1>&6 +fi -# Some tools Automake needs. - -ACLOCAL=${ACLOCAL-"${am_missing_run}aclocal"} - - -AUTOCONF=${AUTOCONF-"${am_missing_run}autoconf"} - - -AUTOMAKE=${AUTOMAKE-"${am_missing_run}automake"} - - -AUTOHEADER=${AUTOHEADER-"${am_missing_run}autoheader"} - - -MAKEINFO=${MAKEINFO-"${am_missing_run}makeinfo"} - - -AMTAR=${AMTAR-"${am_missing_run}tar"} - - -if test -z "$install_sh"; then - for install_sh in "$ac_aux_dir/install-sh" \ - "$ac_aux_dir/install.sh" \ - "${am_missing_run}${ac_auxdir}/install-sh"; - do - test -f "$install_sh" && break - done - # FIXME: an evil hack: we remove the SHELL invocation from - # install_sh because automake adds it back in. Sigh. - install_sh=`echo $install_sh | sed -e 's/\${SHELL}//'` +echo $ac_n "checking for working makeinfo""... $ac_c" 1>&6 +echo "configure:817: checking for working makeinfo" >&5 +# Run test in a subshell; some versions of sh will print an error if +# an executable is not found, even if stderr is redirected. +# Redirect stdin to placate older versions of autoconf. Sigh. +if (makeinfo --version) < /dev/null > /dev/null 2>&1; then + MAKEINFO=makeinfo + echo "$ac_t""found" 1>&6 +else + MAKEINFO="$missing_dir/missing makeinfo" + echo "$ac_t""missing" 1>&6 fi -# We need awk for the "check" target. The system "awk" is bad on -# some platforms. - + ####################################################################### @@ -1167,7 +1105,7 @@ else { echo "configure: error: can not run $ac_config_sub" 1>&2; exit 1; } fi echo $ac_n "checking host system type""... $ac_c" 1>&6 -echo "configure:1171: checking host system type" >&5 +echo "configure:1109: checking host system type" >&5 host_alias=$host case "$host_alias" in @@ -1290,7 +1228,7 @@ do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1294: checking for $ac_word" >&5 +echo "configure:1232: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_F77'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1325,7 +1263,7 @@ do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1329: checking for $ac_word" >&5 +echo "configure:1267: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_F77'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1358,7 +1296,7 @@ done fi echo $ac_n "checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) works""... $ac_c" 1>&6 -echo "configure:1362: checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) works" >&5 +echo "configure:1300: checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) works" >&5 ac_ext=f ac_compile='${F77-f77} -c $FFLAGS conftest.$ac_ext 1>&5' @@ -1371,7 +1309,7 @@ cat > conftest.$ac_ext << EOF end EOF -if { (eval echo configure:1375: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:1313: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then ac_cv_prog_f77_works=yes # If we can't run a trivial program, we are probably using a cross compiler. if (./conftest; exit) 2>/dev/null; then @@ -1397,12 +1335,12 @@ if test $ac_cv_prog_f77_works = no; then { echo "configure: error: installation or configuration problem: Fortran 77 compiler cannot create executables." 1>&2; exit 1; } fi echo $ac_n "checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) is a cross-compiler""... $ac_c" 1>&6 -echo "configure:1401: checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) is a cross-compiler" >&5 +echo "configure:1339: checking whether the Fortran 77 compiler ($F77 $FFLAGS $LDFLAGS) is a cross-compiler" >&5 echo "$ac_t""$ac_cv_prog_f77_cross" 1>&6 cross_compiling=$ac_cv_prog_f77_cross echo $ac_n "checking whether we are using GNU Fortran 77""... $ac_c" 1>&6 -echo "configure:1406: checking whether we are using GNU Fortran 77" >&5 +echo "configure:1344: checking whether we are using GNU Fortran 77" >&5 if eval "test \"`echo '$''{'ac_cv_prog_g77'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1411,7 +1349,7 @@ else yes #endif EOF -if { ac_try='$F77 -E conftest.fpp'; { (eval echo configure:1415: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; } | egrep yes >/dev/null 2>&1; then +if { ac_try='$F77 -E conftest.fpp'; { (eval echo configure:1353: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; } | egrep yes >/dev/null 2>&1; then ac_cv_prog_g77=yes else ac_cv_prog_g77=no @@ -1426,7 +1364,7 @@ if test $ac_cv_prog_g77 = yes; then ac_save_FFLAGS="$FFLAGS" FFLAGS= echo $ac_n "checking whether $F77 accepts -g""... $ac_c" 1>&6 -echo "configure:1430: checking whether $F77 accepts -g" >&5 +echo "configure:1368: checking whether $F77 accepts -g" >&5 if eval "test \"`echo '$''{'ac_cv_prog_f77_g'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1463,7 +1401,7 @@ fi # Checks for programs. echo $ac_n "checking whether ${MAKE-make} sets \${MAKE}""... $ac_c" 1>&6 -echo "configure:1467: checking whether ${MAKE-make} sets \${MAKE}" >&5 +echo "configure:1405: checking whether ${MAKE-make} sets \${MAKE}" >&5 set dummy ${MAKE-make}; ac_make=`echo "$2" | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_prog_make_${ac_make}_set'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -1493,7 +1431,7 @@ fi # Extract the first word of "cc", so it can be a program name with args. set dummy cc; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1497: checking for $ac_word" >&5 +echo "configure:1435: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_CC'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1522,7 +1460,7 @@ fi # Extract the first word of "gcc", so it can be a program name with args. set dummy gcc; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1526: checking for $ac_word" >&5 +echo "configure:1464: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_CC'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1552,7 +1490,7 @@ if test -z "$CC"; then # Extract the first word of "cc", so it can be a program name with args. set dummy cc; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1556: checking for $ac_word" >&5 +echo "configure:1494: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_CC'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1603,7 +1541,7 @@ fi # Extract the first word of "cl", so it can be a program name with args. set dummy cl; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:1607: checking for $ac_word" >&5 +echo "configure:1545: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_CC'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1635,7 +1573,7 @@ fi fi echo $ac_n "checking whether the C compiler ($CC $CFLAGS $LDFLAGS) works""... $ac_c" 1>&6 -echo "configure:1639: checking whether the C compiler ($CC $CFLAGS $LDFLAGS) works" >&5 +echo "configure:1577: checking whether the C compiler ($CC $CFLAGS $LDFLAGS) works" >&5 ac_ext=c # CFLAGS is not in ac_cpp because -g, -O, etc. are not valid cpp options. @@ -1646,12 +1584,12 @@ cross_compiling=$ac_cv_prog_cc_cross cat > conftest.$ac_ext << EOF -#line 1650 "configure" +#line 1588 "configure" #include "confdefs.h" main(){return(0);} EOF -if { (eval echo configure:1655: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:1593: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then ac_cv_prog_cc_works=yes # If we can't run a trivial program, we are probably using a cross compiler. if (./conftest; exit) 2>/dev/null; then @@ -1677,12 +1615,12 @@ if test $ac_cv_prog_cc_works = no; then { echo "configure: error: installation or configuration problem: C compiler cannot create executables." 1>&2; exit 1; } fi echo $ac_n "checking whether the C compiler ($CC $CFLAGS $LDFLAGS) is a cross-compiler""... $ac_c" 1>&6 -echo "configure:1681: checking whether the C compiler ($CC $CFLAGS $LDFLAGS) is a cross-compiler" >&5 +echo "configure:1619: checking whether the C compiler ($CC $CFLAGS $LDFLAGS) is a cross-compiler" >&5 echo "$ac_t""$ac_cv_prog_cc_cross" 1>&6 cross_compiling=$ac_cv_prog_cc_cross echo $ac_n "checking whether we are using GNU C""... $ac_c" 1>&6 -echo "configure:1686: checking whether we are using GNU C" >&5 +echo "configure:1624: checking whether we are using GNU C" >&5 if eval "test \"`echo '$''{'ac_cv_prog_gcc'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1691,7 +1629,7 @@ else yes; #endif EOF -if { ac_try='${CC-cc} -E conftest.c'; { (eval echo configure:1695: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; } | egrep yes >/dev/null 2>&1; then +if { ac_try='${CC-cc} -E conftest.c'; { (eval echo configure:1633: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; } | egrep yes >/dev/null 2>&1; then ac_cv_prog_gcc=yes else ac_cv_prog_gcc=no @@ -1710,7 +1648,7 @@ ac_test_CFLAGS="${CFLAGS+set}" ac_save_CFLAGS="$CFLAGS" CFLAGS= echo $ac_n "checking whether ${CC-cc} accepts -g""... $ac_c" 1>&6 -echo "configure:1714: checking whether ${CC-cc} accepts -g" >&5 +echo "configure:1652: checking whether ${CC-cc} accepts -g" >&5 if eval "test \"`echo '$''{'ac_cv_prog_cc_g'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -1741,182 +1679,12 @@ else fi fi - -echo $ac_n "checking how to run the C preprocessor""... $ac_c" 1>&6 -echo "configure:1747: checking how to run the C preprocessor" >&5 -# On Suns, sometimes $CPP names a directory. -if test -n "$CPP" && test -d "$CPP"; then - CPP= -fi -if test -z "$CPP"; then -if eval "test \"`echo '$''{'ac_cv_prog_CPP'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 -else - # This must be in double quotes, not single quotes, because CPP may get - # substituted into the Makefile and "${CC-cc}" will confuse make. - CPP="${CC-cc} -E" - # On the NeXT, cc -E runs the code through the compiler's parser, - # not just through cpp. - cat > conftest.$ac_ext < -Syntax Error -EOF -ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:1768: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } -ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` -if test -z "$ac_err"; then - : -else - echo "$ac_err" >&5 - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - rm -rf conftest* - CPP="${CC-cc} -E -traditional-cpp" - cat > conftest.$ac_ext < -Syntax Error -EOF -ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:1785: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } -ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` -if test -z "$ac_err"; then - : -else - echo "$ac_err" >&5 - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - rm -rf conftest* - CPP="${CC-cc} -nologo -E" - cat > conftest.$ac_ext < -Syntax Error -EOF -ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:1802: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } -ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` -if test -z "$ac_err"; then - : -else - echo "$ac_err" >&5 - echo "configure: failed program was:" >&5 - cat conftest.$ac_ext >&5 - rm -rf conftest* - CPP=/lib/cpp -fi -rm -f conftest* -fi -rm -f conftest* -fi -rm -f conftest* - ac_cv_prog_CPP="$CPP" -fi - CPP="$ac_cv_prog_CPP" -else - ac_cv_prog_CPP="$CPP" -fi -echo "$ac_t""$CPP" 1>&6 - -am_make=${MAKE-make} -# BSD make uses .include -cat > confinc << 'END' -doit: - @echo done -END -# If we don't find an include directive, just comment out the code. -echo $ac_n "checking for style of include used by $am_make""... $ac_c" 1>&6 -echo "configure:1834: checking for style of include used by $am_make" >&5 -_am_include='#' -for am_inc in include .include; do - echo "$am_inc confinc" > confmf - if test "`$am_make -f confmf 2> /dev/null`" = "done"; then - _am_include=$am_inc - break - fi -done - -echo "$ac_t""$_am_include" 1>&6 -rm -f confinc confmf - - -depcc="$CC" -depcpp="$CPP" - - - -echo $ac_n "checking dependency style of $depcc""... $ac_c" 1>&6 -echo "configure:1854: checking dependency style of $depcc" >&5 -if eval "test \"`echo '$''{'am_cv_CC_dependencies_compiler_type'+set}'`\" = set"; then - echo $ac_n "(cached) $ac_c" 1>&6 -else - if test -z "$AMDEP"; then - # We make a subdir and do the tests there. Otherwise we can end up - # making bogus files that we don't know about and never remove. For - # instance it was reported that on HP-UX the gcc test will end up - # making a dummy file named `D' -- because `-MD' means `put the output - # in D'. - mkdir confdir - # Copy depcomp to subdir because otherwise we won't find it if we're - # using a relative directory. - cp "$am_depcomp" confdir - cd confdir - - am_cv_CC_dependencies_compiler_type=none - for depmode in `sed -n 's/^#*\([a-zA-Z0-9]*\))$/\1/p' < "./depcomp"`; do - # We need to recreate these files for each test, as the compiler may - # overwrite some of them when testing with obscure command lines. - # This happens at least with the AIX C compiler. - echo '#include "conftest.h"' > conftest.c - echo 'int i;' > conftest.h - - case "$depmode" in - nosideeffect) - # after this tag, mechanisms are not by side-effect, so they'll - # only be used when explicitly requested - if test "x$enable_dependency_tracking" = xyes; then - continue - else - break - fi - ;; - none) break ;; - esac - # We check with `-c' and `-o' for the sake of the "dashmstdout" - # mode. It turns out that the SunPro C++ compiler does not properly - # handle `-M -o', and we need to detect this. - if depmode="$depmode" \ - source=conftest.c object=conftest.o \ - depfile=conftest.Po tmpdepfile=conftest.TPo \ - $SHELL ./depcomp $depcc -c conftest.c -o conftest.o >/dev/null 2>&1 && - grep conftest.h conftest.Po > /dev/null 2>&1; then - am_cv_CC_dependencies_compiler_type="$depmode" - break - fi - done - - cd .. - rm -rf confdir -else - am_cv_CC_dependencies_compiler_type=none -fi - -fi - -echo "$ac_t""$am_cv_CC_dependencies_compiler_type" 1>&6 -CCDEPMODE="depmode=$am_cv_CC_dependencies_compiler_type" - - BUILD_CC=$CC if test "$enable_fortran" = "yes"; then echo $ac_n "checking for Fortran 77 libraries""... $ac_c" 1>&6 -echo "configure:1920: checking for Fortran 77 libraries" >&5 +echo "configure:1688: checking for Fortran 77 libraries" >&5 if eval "test \"`echo '$''{'ac_cv_flibs'+set}'`\" = set"; then @@ -2075,7 +1843,7 @@ echo "$ac_t""$FLIBS" 1>&6 echo $ac_n "checking fortran name mangling""... $ac_c" 1>&6 -echo "configure:2079: checking fortran name mangling" >&5 +echo "configure:1847: checking fortran name mangling" >&5 cat > mangle-func.f < mangle-func.f <&5; (eval $ac_try) 2>&5; }; then +if { (eval echo configure:1857: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; then ac_try="" else echo "configure: failed program was:" >&5 @@ -2106,14 +1874,14 @@ cross_compiling=$ac_cv_prog_cc_cross ac_save_LIBS="$LIBS" LIBS="mangle-func.o $FLIBS $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:1885: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* ac_f77_mangle_type=lowercase else @@ -2121,14 +1889,14 @@ else cat conftest.$ac_ext >&5 rm -rf conftest* cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:1900: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* ac_f77_mangle_type=lowercase-underscore else @@ -2136,14 +1904,14 @@ else cat conftest.$ac_ext >&5 rm -rf conftest* cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:1915: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* ac_f77_mangle_type=uppercase else @@ -2151,14 +1919,14 @@ else cat conftest.$ac_ext >&5 rm -rf conftest* cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:1930: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* ac_f77_mangle_type=uppercase-underscore else @@ -2215,7 +1983,7 @@ EOF esac echo $ac_n "checking whether f77 functions with underscore get an extra underscore""... $ac_c" 1>&6 -echo "configure:2219: checking whether f77 functions with underscore get an extra underscore" >&5 +echo "configure:1987: checking whether f77 functions with underscore get an extra underscore" >&5 ac_ext=c @@ -2228,14 +1996,14 @@ cross_compiling=$ac_cv_prog_cc_cross ac_save_LIBS="$LIBS" LIBS="mangle-func.o $FLIBS $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2007: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* ac_f77_mangle_underscore=yes; cat >> confdefs.h <<\EOF @@ -2272,7 +2040,7 @@ do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:2276: checking for $ac_word" >&5 +echo "configure:2044: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_MPICC'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -2305,16 +2073,16 @@ test -n "$MPICC" || MPICC="$CC" # now change the normal cc to the MPI one - see the comment above. CC=$MPICC echo $ac_n "checking whether the MPI cc command works""... $ac_c" 1>&6 -echo "configure:2309: checking whether the MPI cc command works" >&5 # be paranoid +echo "configure:2077: checking whether the MPI cc command works" >&5 # be paranoid cat > conftest.$ac_ext < int main() { int argc; char **argv; MPI_Init(&argc,&argv); ; return 0; } EOF -if { (eval echo configure:2318: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2086: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* echo "$ac_t""yes" 1>&6 else @@ -2357,7 +2125,7 @@ fi # SVR4 /usr/ucb/install, which tries to use the nonexistent group "staff" # ./install, which can be erroneously created by make from ./install.sh. echo $ac_n "checking for a BSD compatible install""... $ac_c" 1>&6 -echo "configure:2361: checking for a BSD compatible install" >&5 +echo "configure:2129: checking for a BSD compatible install" >&5 if test -z "$INSTALL"; then if eval "test \"`echo '$''{'ac_cv_path_install'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -2410,7 +2178,7 @@ test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL_PROGRAM}' test -z "$INSTALL_DATA" && INSTALL_DATA='${INSTALL} -m 644' echo $ac_n "checking how to run the C preprocessor""... $ac_c" 1>&6 -echo "configure:2414: checking how to run the C preprocessor" >&5 +echo "configure:2182: checking how to run the C preprocessor" >&5 # On Suns, sometimes $CPP names a directory. if test -n "$CPP" && test -d "$CPP"; then CPP= @@ -2425,13 +2193,13 @@ else # On the NeXT, cc -E runs the code through the compiler's parser, # not just through cpp. cat > conftest.$ac_ext < Syntax Error EOF ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:2435: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:2203: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then : @@ -2442,13 +2210,13 @@ else rm -rf conftest* CPP="${CC-cc} -E -traditional-cpp" cat > conftest.$ac_ext < Syntax Error EOF ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:2452: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:2220: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then : @@ -2459,13 +2227,13 @@ else rm -rf conftest* CPP="${CC-cc} -nologo -E" cat > conftest.$ac_ext < Syntax Error EOF ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:2469: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:2237: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then : @@ -2502,7 +2270,7 @@ if test "$x86" = "yes"; then # Extract the first word of "nasm", so it can be a program name with args. set dummy nasm; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:2506: checking for $ac_word" >&5 +echo "configure:2274: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_path_NASM'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -2542,7 +2310,7 @@ fi fi if test "$enable_sse" = "yes"; then echo $ac_n "checking whether nasm supports SSE instructions""... $ac_c" 1>&6 -echo "configure:2546: checking whether nasm supports SSE instructions" >&5 +echo "configure:2314: checking whether nasm supports SSE instructions" >&5 cat > conftest_sse.s << EOF global checksse checksse: @@ -2551,7 +2319,7 @@ checksse: emms ret EOF - if { ac_try='$NASM conftest_sse.s'; { (eval echo configure:2555: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; }; then + if { ac_try='$NASM conftest_sse.s'; { (eval echo configure:2323: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; }; then echo "$ac_t""yes" 1>&6 else echo "$ac_t""no" 1>&6 @@ -2561,7 +2329,7 @@ EOF fi if test "$enable_3dnow" = "yes"; then echo $ac_n "checking whether nasm supports extended 3DNow instructions""... $ac_c" 1>&6 -echo "configure:2565: checking whether nasm supports extended 3DNow instructions" >&5 +echo "configure:2333: checking whether nasm supports extended 3DNow instructions" >&5 cat > conftest_3dnow.s << EOF global check3dnow check3dnow: @@ -2570,7 +2338,7 @@ check3dnow: femms ret EOF - if { ac_try='$NASM -f elf conftest_3dnow.s'; { (eval echo configure:2574: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; }; then + if { ac_try='$NASM -f elf conftest_3dnow.s'; { (eval echo configure:2342: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; }; }; then echo "$ac_t""yes" 1>&6 else echo "$ac_t""no" 1>&6 @@ -2588,7 +2356,7 @@ fi # Extract the first word of "ident", so it can be a program name with args. set dummy ident; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:2592: checking for $ac_word" >&5 +echo "configure:2360: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_path_IDENT'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -2625,14 +2393,14 @@ if test "$IDENT" != "no"; then # seems as if we have the ident program, but does the # compiler support it? echo $ac_n "checking whether the compiler supports ident""... $ac_c" 1>&6 -echo "configure:2629: checking whether the compiler supports ident" >&5 +echo "configure:2397: checking whether the compiler supports ident" >&5 cat > conftest.$ac_ext <&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:2404: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then rm -rf conftest* @@ -2655,7 +2423,7 @@ fi # Extract the first word of "ranlib", so it can be a program name with args. set dummy ranlib; ac_word=$2 echo $ac_n "checking for $ac_word""... $ac_c" 1>&6 -echo "configure:2659: checking for $ac_word" >&5 +echo "configure:2427: checking for $ac_word" >&5 if eval "test \"`echo '$''{'ac_cv_prog_RANLIB'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -2685,12 +2453,12 @@ fi for ac_func in strcasecmp do echo $ac_n "checking for $ac_func""... $ac_c" 1>&6 -echo "configure:2689: checking for $ac_func" >&5 +echo "configure:2457: checking for $ac_func" >&5 if eval "test \"`echo '$''{'ac_cv_func_$ac_func'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2485: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func_$ac_func=yes" else @@ -2740,12 +2508,12 @@ done for ac_func in strdup do echo $ac_n "checking for $ac_func""... $ac_c" 1>&6 -echo "configure:2744: checking for $ac_func" >&5 +echo "configure:2512: checking for $ac_func" >&5 if eval "test \"`echo '$''{'ac_cv_func_$ac_func'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2540: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func_$ac_func=yes" else @@ -2876,7 +2644,7 @@ fi # Checks for libraries. ############################################################################ echo $ac_n "checking for sqrt in -lm""... $ac_c" 1>&6 -echo "configure:2880: checking for sqrt in -lm" >&5 +echo "configure:2648: checking for sqrt in -lm" >&5 ac_lib_var=`echo m'_'sqrt | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -2884,7 +2652,7 @@ else ac_save_LIBS="$LIBS" LIBS="-lm $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2667: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -2930,7 +2698,7 @@ fi # libm in the link list, thus the test goes after m! if test "${host_vendor}" = "ibm"; then echo $ac_n "checking for main in -lxlopt""... $ac_c" 1>&6 -echo "configure:2934: checking for main in -lxlopt" >&5 +echo "configure:2702: checking for main in -lxlopt" >&5 ac_lib_var=`echo xlopt'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -2938,14 +2706,14 @@ else ac_save_LIBS="$LIBS" LIBS="-lxlopt $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2717: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -2973,7 +2741,7 @@ else fi echo $ac_n "checking for main in -lmass""... $ac_c" 1>&6 -echo "configure:2977: checking for main in -lmass" >&5 +echo "configure:2745: checking for main in -lmass" >&5 ac_lib_var=`echo mass'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -2981,14 +2749,14 @@ else ac_save_LIBS="$LIBS" LIBS="-lmass $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2760: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3019,7 +2787,7 @@ fi case "$gmxcpu" in power4*) echo $ac_n "checking for main in -lmassvp4""... $ac_c" 1>&6 -echo "configure:3023: checking for main in -lmassvp4" >&5 +echo "configure:2791: checking for main in -lmassvp4" >&5 ac_lib_var=`echo massvp4'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3027,14 +2795,14 @@ else ac_save_LIBS="$LIBS" LIBS="-lmassvp4 $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2806: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3056,7 +2824,7 @@ fi ;; power3*) echo $ac_n "checking for main in -lmassvp3""... $ac_c" 1>&6 -echo "configure:3060: checking for main in -lmassvp3" >&5 +echo "configure:2828: checking for main in -lmassvp3" >&5 ac_lib_var=`echo massvp3'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3064,14 +2832,14 @@ else ac_save_LIBS="$LIBS" LIBS="-lmassvp3 $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2843: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3093,7 +2861,7 @@ fi ;; power2*) echo $ac_n "checking for main in -lmassvp3""... $ac_c" 1>&6 -echo "configure:3097: checking for main in -lmassvp3" >&5 +echo "configure:2865: checking for main in -lmassvp3" >&5 ac_lib_var=`echo massvp3'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3101,14 +2869,14 @@ else ac_save_LIBS="$LIBS" LIBS="-lmassvp3 $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2880: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3130,7 +2898,7 @@ fi ;; *) echo $ac_n "checking for main in -lmassv""... $ac_c" 1>&6 -echo "configure:3134: checking for main in -lmassv" >&5 +echo "configure:2902: checking for main in -lmassv" >&5 ac_lib_var=`echo massv'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3138,14 +2906,14 @@ else ac_save_LIBS="$LIBS" LIBS="-lmassv $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:2917: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3196,16 +2964,16 @@ usedprefix="" ok="no" # check header doesn't work, since we must use mpicc to get includes, not just /lib/cpp echo $ac_n "checking for fftw_mpi.h""... $ac_c" 1>&6 -echo "configure:3200: checking for fftw_mpi.h" >&5 +echo "configure:2968: checking for fftw_mpi.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3209: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:2977: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=fftw_mpi @@ -3223,14 +2991,14 @@ rm -f conftest* if test -n "$fftwname"; then # we cannot run the code since MPI program might not be allowed outside a charge queue cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:3234: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3002: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ok="yes" else @@ -3247,16 +3015,16 @@ fftwname=fftw_mpi if test "$ok" != "yes"; then xfftwname=${fftwcheckprefix}${fftwname} echo $ac_n "checking for $xfftwname.h""... $ac_c" 1>&6 -echo "configure:3251: checking for $xfftwname.h" >&5 +echo "configure:3019: checking for $xfftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3260: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3028: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 else @@ -3278,14 +3046,14 @@ Check the Gromacs INSTALL file for additional information." 1>&2; exit 1; } fi rm -f conftest* cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:3289: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3057: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=$xfftwname @@ -3309,7 +3077,7 @@ rm -f conftest* fi echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:3313: checking for main in -l$fftwname" >&5 +echo "configure:3081: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3317,14 +3085,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3096: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3359,20 +3127,20 @@ else fftwname=${ac_fftw_savedprefix}fftw_mpi echo $ac_n "checking for $fftwname.h""... $ac_c" 1>&6 -echo "configure:3363: checking for $fftwname.h" >&5 +echo "configure:3131: checking for $fftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3372: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3140: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:3376: checking for main in -l$fftwname" >&5 +echo "configure:3144: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3380,14 +3148,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3159: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3444,16 +3212,16 @@ usedprefix="" ok="no" # check header doesn't work, since we must use mpicc to get includes, not just /lib/cpp echo $ac_n "checking for rfftw_mpi.h""... $ac_c" 1>&6 -echo "configure:3448: checking for rfftw_mpi.h" >&5 +echo "configure:3216: checking for rfftw_mpi.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3457: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3225: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=rfftw_mpi @@ -3471,14 +3239,14 @@ rm -f conftest* if test -n "$fftwname"; then # we cannot run the code since MPI program might not be allowed outside a charge queue cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:3482: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3250: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ok="yes" else @@ -3495,16 +3263,16 @@ fftwname=rfftw_mpi if test "$ok" != "yes"; then xfftwname=${fftwcheckprefix}${fftwname} echo $ac_n "checking for $xfftwname.h""... $ac_c" 1>&6 -echo "configure:3499: checking for $xfftwname.h" >&5 +echo "configure:3267: checking for $xfftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3508: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3276: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 else @@ -3526,14 +3294,14 @@ Check the Gromacs INSTALL file for additional information." 1>&2; exit 1; } fi rm -f conftest* cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:3537: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3305: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=$xfftwname @@ -3557,7 +3325,7 @@ rm -f conftest* fi echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:3561: checking for main in -l$fftwname" >&5 +echo "configure:3329: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3565,14 +3333,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3344: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3607,20 +3375,20 @@ else fftwname=${ac_fftw_savedprefix}rfftw_mpi echo $ac_n "checking for $fftwname.h""... $ac_c" 1>&6 -echo "configure:3611: checking for $fftwname.h" >&5 +echo "configure:3379: checking for $fftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3620: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3388: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:3624: checking for main in -l$fftwname" >&5 +echo "configure:3392: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3628,14 +3396,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3407: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3694,16 +3462,16 @@ usedprefix="" ok="no" # check header doesn't work, since we must use mpicc to get includes, not just /lib/cpp echo $ac_n "checking for fftw.h""... $ac_c" 1>&6 -echo "configure:3698: checking for fftw.h" >&5 +echo "configure:3466: checking for fftw.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3707: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3475: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=fftw @@ -3721,14 +3489,14 @@ rm -f conftest* if test -n "$fftwname"; then # we cannot run the code since MPI program might not be allowed outside a charge queue cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:3732: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3500: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ok="yes" else @@ -3745,16 +3513,16 @@ fftwname=fftw if test "$ok" != "yes"; then xfftwname=${fftwcheckprefix}${fftwname} echo $ac_n "checking for $xfftwname.h""... $ac_c" 1>&6 -echo "configure:3749: checking for $xfftwname.h" >&5 +echo "configure:3517: checking for $xfftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3758: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3526: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 else @@ -3776,14 +3544,14 @@ Check the Gromacs INSTALL file for additional information." 1>&2; exit 1; } fi rm -f conftest* cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:3787: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3555: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=$xfftwname @@ -3807,7 +3575,7 @@ rm -f conftest* fi echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:3811: checking for main in -l$fftwname" >&5 +echo "configure:3579: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3815,14 +3583,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3594: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3857,20 +3625,20 @@ else fftwname=${ac_fftw_savedprefix}fftw echo $ac_n "checking for $fftwname.h""... $ac_c" 1>&6 -echo "configure:3861: checking for $fftwname.h" >&5 +echo "configure:3629: checking for $fftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3870: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3638: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:3874: checking for main in -l$fftwname" >&5 +echo "configure:3642: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -3878,14 +3646,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3657: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -3942,16 +3710,16 @@ usedprefix="" ok="no" # check header doesn't work, since we must use mpicc to get includes, not just /lib/cpp echo $ac_n "checking for rfftw.h""... $ac_c" 1>&6 -echo "configure:3946: checking for rfftw.h" >&5 +echo "configure:3714: checking for rfftw.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:3955: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3723: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=rfftw @@ -3969,14 +3737,14 @@ rm -f conftest* if test -n "$fftwname"; then # we cannot run the code since MPI program might not be allowed outside a charge queue cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:3980: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3748: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ok="yes" else @@ -3993,16 +3761,16 @@ fftwname=rfftw if test "$ok" != "yes"; then xfftwname=${fftwcheckprefix}${fftwname} echo $ac_n "checking for $xfftwname.h""... $ac_c" 1>&6 -echo "configure:3997: checking for $xfftwname.h" >&5 +echo "configure:3765: checking for $xfftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:4006: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3774: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 else @@ -4024,14 +3792,14 @@ Check the Gromacs INSTALL file for additional information." 1>&2; exit 1; } fi rm -f conftest* cat > conftest.$ac_ext < int main() { int _array_ [1 - 2 * !((sizeof(fftw_real)) == $precision)]; ; return 0; } EOF -if { (eval echo configure:4035: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3803: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* fftwname=$xfftwname @@ -4055,7 +3823,7 @@ rm -f conftest* fi echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:4059: checking for main in -l$fftwname" >&5 +echo "configure:3827: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4063,14 +3831,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3842: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -4105,20 +3873,20 @@ else fftwname=${ac_fftw_savedprefix}rfftw echo $ac_n "checking for $fftwname.h""... $ac_c" 1>&6 -echo "configure:4109: checking for $fftwname.h" >&5 +echo "configure:3877: checking for $fftwname.h" >&5 cat > conftest.$ac_ext < int main() { ; return 0; } EOF -if { (eval echo configure:4118: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:3886: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* echo "$ac_t""yes" 1>&6 echo $ac_n "checking for main in -l$fftwname""... $ac_c" 1>&6 -echo "configure:4122: checking for main in -l$fftwname" >&5 +echo "configure:3890: checking for main in -l$fftwname" >&5 ac_lib_var=`echo $fftwname'_'main | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4126,14 +3894,14 @@ else ac_save_LIBS="$LIBS" LIBS="-l$fftwname $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:3905: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -4208,17 +3976,17 @@ else do ac_safe=`echo "$ac_hdr" | sed 'y%./+-%__p_%'` echo $ac_n "checking for $ac_hdr""... $ac_c" 1>&6 -echo "configure:4212: checking for $ac_hdr" >&5 +echo "configure:3980: checking for $ac_hdr" >&5 if eval "test \"`echo '$''{'ac_cv_header_$ac_safe'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext < EOF ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:4222: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:3990: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then rm -rf conftest* @@ -4248,7 +4016,7 @@ done # check for xtc libs # on solaris the xdr stuff is in -lnsl echo $ac_n "checking for xdr_float in -lnsl""... $ac_c" 1>&6 -echo "configure:4252: checking for xdr_float in -lnsl" >&5 +echo "configure:4020: checking for xdr_float in -lnsl" >&5 ac_lib_var=`echo nsl'_'xdr_float | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4256,7 +4024,7 @@ else ac_save_LIBS="$LIBS" LIBS="-lnsl $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4039: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -4295,7 +4063,7 @@ else fi cat > conftest.$ac_ext < #include @@ -4303,7 +4071,7 @@ int main() { XDR *xd; float f; xdr_float(xd,&f); ; return 0; } EOF -if { (eval echo configure:4307: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4075: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then : else echo "configure: failed program was:" >&5 @@ -4330,7 +4098,7 @@ fi # Uses ac_ vars as temps to allow command line to override cache and checks. # --without-x overrides everything else, but does not touch the cache. echo $ac_n "checking for X""... $ac_c" 1>&6 -echo "configure:4334: checking for X" >&5 +echo "configure:4102: checking for X" >&5 # Check whether --with-x or --without-x was given. if test "${with_x+set}" = set; then @@ -4392,12 +4160,12 @@ if test "$ac_x_includes" = NO; then # First, try using that file with no special directory specified. cat > conftest.$ac_ext < EOF ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:4401: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:4169: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then rm -rf conftest* @@ -4466,14 +4234,14 @@ if test "$ac_x_libraries" = NO; then ac_save_LIBS="$LIBS" LIBS="-l$x_direct_test_library $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4245: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* LIBS="$ac_save_LIBS" # We can link X programs with no special library path. @@ -4579,17 +4347,17 @@ else case "`(uname -sr) 2>/dev/null`" in "SunOS 5"*) echo $ac_n "checking whether -R must be followed by a space""... $ac_c" 1>&6 -echo "configure:4583: checking whether -R must be followed by a space" >&5 +echo "configure:4351: checking whether -R must be followed by a space" >&5 ac_xsave_LIBS="$LIBS"; LIBS="$LIBS -R$x_libraries" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4361: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* ac_R_nospace=yes else @@ -4605,14 +4373,14 @@ rm -f conftest* else LIBS="$ac_xsave_LIBS -R $x_libraries" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4384: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* ac_R_space=yes else @@ -4644,7 +4412,7 @@ rm -f conftest* # libraries were built with DECnet support. And karl@cs.umb.edu says # the Alpha needs dnet_stub (dnet does not exist). echo $ac_n "checking for dnet_ntoa in -ldnet""... $ac_c" 1>&6 -echo "configure:4648: checking for dnet_ntoa in -ldnet" >&5 +echo "configure:4416: checking for dnet_ntoa in -ldnet" >&5 ac_lib_var=`echo dnet'_'dnet_ntoa | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4652,7 +4420,7 @@ else ac_save_LIBS="$LIBS" LIBS="-ldnet $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4435: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -4685,7 +4453,7 @@ fi if test $ac_cv_lib_dnet_dnet_ntoa = no; then echo $ac_n "checking for dnet_ntoa in -ldnet_stub""... $ac_c" 1>&6 -echo "configure:4689: checking for dnet_ntoa in -ldnet_stub" >&5 +echo "configure:4457: checking for dnet_ntoa in -ldnet_stub" >&5 ac_lib_var=`echo dnet_stub'_'dnet_ntoa | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4693,7 +4461,7 @@ else ac_save_LIBS="$LIBS" LIBS="-ldnet_stub $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4476: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -4733,12 +4501,12 @@ fi # The nsl library prevents programs from opening the X display # on Irix 5.2, according to dickey@clark.net. echo $ac_n "checking for gethostbyname""... $ac_c" 1>&6 -echo "configure:4737: checking for gethostbyname" >&5 +echo "configure:4505: checking for gethostbyname" >&5 if eval "test \"`echo '$''{'ac_cv_func_gethostbyname'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4533: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func_gethostbyname=yes" else @@ -4782,7 +4550,7 @@ fi if test $ac_cv_func_gethostbyname = no; then echo $ac_n "checking for gethostbyname in -lnsl""... $ac_c" 1>&6 -echo "configure:4786: checking for gethostbyname in -lnsl" >&5 +echo "configure:4554: checking for gethostbyname in -lnsl" >&5 ac_lib_var=`echo nsl'_'gethostbyname | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4790,7 +4558,7 @@ else ac_save_LIBS="$LIBS" LIBS="-lnsl $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4573: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -4831,12 +4599,12 @@ fi # -lsocket must be given before -lnsl if both are needed. # We assume that if connect needs -lnsl, so does gethostbyname. echo $ac_n "checking for connect""... $ac_c" 1>&6 -echo "configure:4835: checking for connect" >&5 +echo "configure:4603: checking for connect" >&5 if eval "test \"`echo '$''{'ac_cv_func_connect'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4631: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func_connect=yes" else @@ -4880,7 +4648,7 @@ fi if test $ac_cv_func_connect = no; then echo $ac_n "checking for connect in -lsocket""... $ac_c" 1>&6 -echo "configure:4884: checking for connect in -lsocket" >&5 +echo "configure:4652: checking for connect in -lsocket" >&5 ac_lib_var=`echo socket'_'connect | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4888,7 +4656,7 @@ else ac_save_LIBS="$LIBS" LIBS="-lsocket $X_EXTRA_LIBS $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4671: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -4923,12 +4691,12 @@ fi # gomez@mi.uni-erlangen.de says -lposix is necessary on A/UX. echo $ac_n "checking for remove""... $ac_c" 1>&6 -echo "configure:4927: checking for remove" >&5 +echo "configure:4695: checking for remove" >&5 if eval "test \"`echo '$''{'ac_cv_func_remove'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4723: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func_remove=yes" else @@ -4972,7 +4740,7 @@ fi if test $ac_cv_func_remove = no; then echo $ac_n "checking for remove in -lposix""... $ac_c" 1>&6 -echo "configure:4976: checking for remove in -lposix" >&5 +echo "configure:4744: checking for remove in -lposix" >&5 ac_lib_var=`echo posix'_'remove | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -4980,7 +4748,7 @@ else ac_save_LIBS="$LIBS" LIBS="-lposix $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4763: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -5015,12 +4783,12 @@ fi # BSDI BSD/OS 2.1 needs -lipc for XOpenDisplay. echo $ac_n "checking for shmat""... $ac_c" 1>&6 -echo "configure:5019: checking for shmat" >&5 +echo "configure:4787: checking for shmat" >&5 if eval "test \"`echo '$''{'ac_cv_func_shmat'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4815: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func_shmat=yes" else @@ -5064,7 +4832,7 @@ fi if test $ac_cv_func_shmat = no; then echo $ac_n "checking for shmat in -lipc""... $ac_c" 1>&6 -echo "configure:5068: checking for shmat in -lipc" >&5 +echo "configure:4836: checking for shmat in -lipc" >&5 ac_lib_var=`echo ipc'_'shmat | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -5072,7 +4840,7 @@ else ac_save_LIBS="$LIBS" LIBS="-lipc $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4855: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -5116,7 +4884,7 @@ fi # libraries we check for below, so use a different variable. # --interran@uluru.Stanford.EDU, kb@cs.umb.edu. echo $ac_n "checking for IceConnectionNumber in -lICE""... $ac_c" 1>&6 -echo "configure:5120: checking for IceConnectionNumber in -lICE" >&5 +echo "configure:4888: checking for IceConnectionNumber in -lICE" >&5 ac_lib_var=`echo ICE'_'IceConnectionNumber | sed 'y%./+-%__p_%'` if eval "test \"`echo '$''{'ac_cv_lib_$ac_lib_var'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 @@ -5124,7 +4892,7 @@ else ac_save_LIBS="$LIBS" LIBS="-lICE $X_EXTRA_LIBS $LIBS" cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:4907: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_lib_$ac_lib_var=yes" else @@ -5189,7 +4957,7 @@ fi echo $ac_n "checking for Motif""... $ac_c" 1>&6 -echo "configure:5193: checking for Motif" >&5 +echo "configure:4961: checking for Motif" >&5 # @@ -5213,14 +4981,14 @@ LDFLAGS="$X_LIBS $LDFLAGS" # ac_cv_motif_includes="none" cat > conftest.$ac_ext < int main() { int a; ; return 0; } EOF -if { (eval echo configure:5224: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:4992: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* # Xm/Xm.h is in the standard search path. @@ -5285,14 +5053,14 @@ LDFLAGS="$X_LIBS $LDFLAGS" # ac_cv_motif_libraries="none" cat > conftest.$ac_ext < int main() { XtToolkitInitialize(); ; return 0; } EOF -if { (eval echo configure:5296: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:5064: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* # libXm.a is in the standard search path. @@ -5399,17 +5167,17 @@ for ac_hdr in limits.h malloc.h strings.h unistd.h do ac_safe=`echo "$ac_hdr" | sed 'y%./+-%__p_%'` echo $ac_n "checking for $ac_hdr""... $ac_c" 1>&6 -echo "configure:5403: checking for $ac_hdr" >&5 +echo "configure:5171: checking for $ac_hdr" >&5 if eval "test \"`echo '$''{'ac_cv_header_$ac_safe'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext < EOF ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:5413: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:5181: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then rm -rf conftest* @@ -5440,12 +5208,12 @@ done ##### # Checks for typedefs, structures, and compiler characteristics. echo $ac_n "checking for working const""... $ac_c" 1>&6 -echo "configure:5444: checking for working const" >&5 +echo "configure:5212: checking for working const" >&5 if eval "test \"`echo '$''{'ac_cv_c_const'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:5266: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ac_cv_c_const=yes else @@ -5515,12 +5283,12 @@ EOF fi echo $ac_n "checking for ANSI C header files""... $ac_c" 1>&6 -echo "configure:5519: checking for ANSI C header files" >&5 +echo "configure:5287: checking for ANSI C header files" >&5 if eval "test \"`echo '$''{'ac_cv_header_stdc'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext < #include @@ -5528,7 +5296,7 @@ else #include EOF ac_try="$ac_cpp conftest.$ac_ext >/dev/null 2>conftest.out" -{ (eval echo configure:5532: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } +{ (eval echo configure:5300: \"$ac_try\") 1>&5; (eval $ac_try) 2>&5; } ac_err=`grep -v '^ *+' conftest.out | grep -v "^conftest.${ac_ext}\$"` if test -z "$ac_err"; then rm -rf conftest* @@ -5545,7 +5313,7 @@ rm -f conftest* if test $ac_cv_header_stdc = yes; then # SunOS 4.x string.h does not declare mem*, contrary to ANSI. cat > conftest.$ac_ext < EOF @@ -5563,7 +5331,7 @@ fi if test $ac_cv_header_stdc = yes; then # ISC 2.0.2 stdlib.h does not declare free, contrary to ANSI. cat > conftest.$ac_ext < EOF @@ -5584,7 +5352,7 @@ if test "$cross_compiling" = yes; then : else cat > conftest.$ac_ext < #define ISLOWER(c) ('a' <= (c) && (c) <= 'z') @@ -5595,7 +5363,7 @@ if (XOR (islower (i), ISLOWER (i)) || toupper (i) != TOUPPER (i)) exit(2); exit (0); } EOF -if { (eval echo configure:5599: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext} && (./conftest; exit) 2>/dev/null +if { (eval echo configure:5367: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext} && (./conftest; exit) 2>/dev/null then : else @@ -5619,12 +5387,12 @@ EOF fi echo $ac_n "checking for size_t""... $ac_c" 1>&6 -echo "configure:5623: checking for size_t" >&5 +echo "configure:5391: checking for size_t" >&5 if eval "test \"`echo '$''{'ac_cv_type_size_t'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext < #if STDC_HEADERS @@ -5652,12 +5420,12 @@ EOF fi echo $ac_n "checking whether struct tm is in sys/time.h or time.h""... $ac_c" 1>&6 -echo "configure:5656: checking whether struct tm is in sys/time.h or time.h" >&5 +echo "configure:5424: checking whether struct tm is in sys/time.h or time.h" >&5 if eval "test \"`echo '$''{'ac_cv_struct_tm'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext < #include @@ -5665,7 +5433,7 @@ int main() { struct tm *tp; tp->tm_sec; ; return 0; } EOF -if { (eval echo configure:5669: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:5437: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ac_cv_struct_tm=time.h else @@ -5686,12 +5454,12 @@ EOF fi echo $ac_n "checking for uid_t in sys/types.h""... $ac_c" 1>&6 -echo "configure:5690: checking for uid_t in sys/types.h" >&5 +echo "configure:5458: checking for uid_t in sys/types.h" >&5 if eval "test \"`echo '$''{'ac_cv_type_uid_t'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext < EOF @@ -5720,21 +5488,21 @@ EOF fi echo $ac_n "checking for inline""... $ac_c" 1>&6 -echo "configure:5724: checking for inline" >&5 +echo "configure:5492: checking for inline" >&5 if eval "test \"`echo '$''{'ac_cv_c_inline'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else ac_cv_c_inline=no for ac_kw in inline __inline__ __inline; do cat > conftest.$ac_ext <&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:5506: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ac_cv_c_inline=$ac_kw; break else @@ -5764,7 +5532,7 @@ esac # Checks for library functions. #AC_FUNC_MALLOC echo $ac_n "checking for 8-bit clean memcmp""... $ac_c" 1>&6 -echo "configure:5768: checking for 8-bit clean memcmp" >&5 +echo "configure:5536: checking for 8-bit clean memcmp" >&5 if eval "test \"`echo '$''{'ac_cv_func_memcmp_clean'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -5772,7 +5540,7 @@ else ac_cv_func_memcmp_clean=no else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext} && (./conftest; exit) 2>/dev/null +if { (eval echo configure:5554: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext} && (./conftest; exit) 2>/dev/null then ac_cv_func_memcmp_clean=yes else @@ -5800,12 +5568,12 @@ echo "$ac_t""$ac_cv_func_memcmp_clean" 1>&6 test $ac_cv_func_memcmp_clean = no && LIBOBJS="$LIBOBJS memcmp.${ac_objext}" echo $ac_n "checking return type of signal handlers""... $ac_c" 1>&6 -echo "configure:5804: checking return type of signal handlers" >&5 +echo "configure:5572: checking return type of signal handlers" >&5 if eval "test \"`echo '$''{'ac_cv_type_signal'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext < #include @@ -5822,7 +5590,7 @@ int main() { int i; ; return 0; } EOF -if { (eval echo configure:5826: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then +if { (eval echo configure:5594: \"$ac_compile\") 1>&5; (eval $ac_compile) 2>&5; }; then rm -rf conftest* ac_cv_type_signal=void else @@ -5841,12 +5609,12 @@ EOF echo $ac_n "checking for vprintf""... $ac_c" 1>&6 -echo "configure:5845: checking for vprintf" >&5 +echo "configure:5613: checking for vprintf" >&5 if eval "test \"`echo '$''{'ac_cv_func_vprintf'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:5641: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func_vprintf=yes" else @@ -5893,12 +5661,12 @@ fi if test "$ac_cv_func_vprintf" != yes; then echo $ac_n "checking for _doprnt""... $ac_c" 1>&6 -echo "configure:5897: checking for _doprnt" >&5 +echo "configure:5665: checking for _doprnt" >&5 if eval "test \"`echo '$''{'ac_cv_func__doprnt'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else cat > conftest.$ac_ext <&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then +if { (eval echo configure:5693: \"$ac_link\") 1>&5; (eval $ac_link) 2>&5; } && test -s conftest${ac_exeext}; then rm -rf conftest* eval "ac_cv_func__doprnt=yes" else @@ -6528,7 +6296,7 @@ if test $ac_cv_prog_gcc = yes; then echo $ac_n "checking whether $CC accepts -malign-double""... $ac_c" 1>&6 -echo "configure:6532: checking whether $CC accepts -malign-double" >&5 +echo "configure:6300: checking whether $CC accepts -malign-double" >&5 if eval "test \"`echo '$''{'ac_align_double'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -6575,7 +6343,7 @@ if test "$GCC" = "yes"; then echo $ac_n "checking whether $CC accepts -mcpu=$cputype""... $ac_c" 1>&6 -echo "configure:6579: checking whether $CC accepts -mcpu=$cputype" >&5 +echo "configure:6347: checking whether $CC accepts -mcpu=$cputype" >&5 if eval "test \"`echo '$''{'ac_m_cpu_60x'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -6602,7 +6370,7 @@ fi echo $ac_n "checking whether $CC accepts -mcpu=750""... $ac_c" 1>&6 -echo "configure:6606: checking whether $CC accepts -mcpu=750" >&5 +echo "configure:6374: checking whether $CC accepts -mcpu=750" >&5 if eval "test \"`echo '$''{'ac_m_cpu_750'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -6630,7 +6398,7 @@ fi echo $ac_n "checking whether $CC accepts -mcpu=powerpc""... $ac_c" 1>&6 -echo "configure:6634: checking whether $CC accepts -mcpu=powerpc" >&5 +echo "configure:6402: checking whether $CC accepts -mcpu=powerpc" >&5 if eval "test \"`echo '$''{'ac_m_cpu_powerpc'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -6658,7 +6426,7 @@ fi echo $ac_n "checking whether $CC accepts -mpowerpc""... $ac_c" 1>&6 -echo "configure:6662: checking whether $CC accepts -mpowerpc" >&5 +echo "configure:6430: checking whether $CC accepts -mpowerpc" >&5 if eval "test \"`echo '$''{'ac_m_powerpc'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -6710,7 +6478,7 @@ if test "$ac_test_CFLAGS" != "set"; then echo $ac_n "checking whether $CC accepts ${CFLAGS}""... $ac_c" 1>&6 -echo "configure:6714: checking whether $CC accepts ${CFLAGS}" >&5 +echo "configure:6482: checking whether $CC accepts ${CFLAGS}" >&5 if eval "test \"`echo '$''{'ac_guessed_cflags'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -6760,7 +6528,7 @@ if test "$enable_fortran" = "yes"; then echo $ac_n "checking whether $F77 accepts ${FFLAGS}""... $ac_c" 1>&6 -echo "configure:6764: checking whether $F77 accepts ${FFLAGS}" >&5 +echo "configure:6532: checking whether $F77 accepts ${FFLAGS}" >&5 if eval "test \"`echo '$''{'ac_guessed_fflags'+set}'`\" = set"; then echo $ac_n "(cached) $ac_c" 1>&6 else @@ -6925,6 +6693,7 @@ trap 'rm -fr `echo "Makefile src/ngmx/Makefile src/include/Makefile src/include/types/Makefile + src/contrib/Makefile tutor/Makefile tutor/gmxdemo/Makefile tutor/nmr1/Makefile @@ -6978,13 +6747,7 @@ s%@AUTOCONF@%$AUTOCONF%g s%@AUTOMAKE@%$AUTOMAKE%g s%@AUTOHEADER@%$AUTOHEADER%g s%@MAKEINFO@%$MAKEINFO%g -s%@AMTAR@%$AMTAR%g -s%@install_sh@%$install_sh%g -s%@AWK@%$AWK%g s%@SET_MAKE@%$SET_MAKE%g -s%@AMDEP@%$AMDEP%g -s%@AMDEPBACKSLASH@%$AMDEPBACKSLASH%g -s%@DEPDIR@%$DEPDIR%g s%@host@%$host%g s%@host_alias@%$host_alias%g s%@host_cpu@%$host_cpu%g @@ -6992,14 +6755,12 @@ s%@host_vendor@%$host_vendor%g s%@host_os@%$host_os%g s%@F77@%$F77%g s%@CC@%$CC%g -s%@CPP@%$CPP%g -s%@_am_include@%$_am_include%g -s%@CCDEPMODE@%$CCDEPMODE%g s%@BUILD_CC@%$BUILD_CC%g s%@FLIBS@%$FLIBS%g s%@MPICC@%$MPICC%g s%@USE_MPI_TRUE@%$USE_MPI_TRUE%g s%@USE_MPI_FALSE@%$USE_MPI_FALSE%g +s%@CPP@%$CPP%g s%@NASM@%$NASM%g s%@NASMFLAGS@%$NASMFLAGS%g s%@IDENT@%$IDENT%g @@ -7079,6 +6840,7 @@ CONFIG_FILES=\${CONFIG_FILES-"Makefile src/ngmx/Makefile src/include/Makefile src/include/types/Makefile + src/contrib/Makefile tutor/Makefile tutor/gmxdemo/Makefile tutor/nmr1/Makefile @@ -7258,60 +7020,11 @@ fi; done EOF cat >> $CONFIG_STATUS < `echo $am_file | sed 's%:.*%%;s%[^/]*$%%'`stamp-h$am_indx - ;; - esac - am_indx=\`expr \$am_indx + 1\` - done -AMDEP="$AMDEP" -ac_aux_dir="$ac_aux_dir" + EOF cat >> $CONFIG_STATUS <<\EOF -test -z "$CONFIG_HEADERS" || echo timestamp > src/include/stamp-h - -test x"$AMDEP" != x"" || -for mf in $CONFIG_FILES; do - case "$mf" in - Makefile) dirpart=.;; - */Makefile) dirpart=`echo "$mf" | sed -e 's|/[^/]*$||'`;; - *) continue;; - esac - grep '^DEP_FILES *= *[^ #]' < "$mf" > /dev/null || continue - # Extract the definition of DEP_FILES from the Makefile without - # running `make'. - DEPDIR=`sed -n -e '/^DEPDIR = / s///p' < "$mf"` - test -z "$DEPDIR" && continue - # When using ansi2knr, U may be empty or an underscore; expand it - U=`sed -n -e '/^U = / s///p' < "$mf"` - test -d "$dirpart/$DEPDIR" || mkdir "$dirpart/$DEPDIR" - # We invoke sed twice because it is the simplest approach to - # changing $(DEPDIR) to its actual value in the expansion. - for file in `sed -n -e ' - /^DEP_FILES = .*\\\\$/ { - s/^DEP_FILES = // - :loop - s/\\\\$// - p - n - /\\\\$/ b loop - p - } - /^DEP_FILES = / s/^DEP_FILES = //p' < "$mf" | \ - sed -e 's/\$(DEPDIR)/'"$DEPDIR"'/g' -e 's/\$U/'"$U"'/g'`; do - # Make sure the directory exists. - test -f "$dirpart/$file" && continue - fdir=`echo "$file" | sed -e 's|/[^/]*$||'` - $ac_aux_dir/mkinstalldirs "$dirpart/$fdir" > /dev/null 2>&1 - # echo "creating $dirpart/$file" - echo '# dummy' > "$dirpart/$file" - done -done - +test -z "$CONFIG_HEADERS" || echo timestamp > src/include/stamp-h exit 0 EOF diff --git a/configure.in b/configure.in index fb4abe485a..f04f70e8fc 100644 --- a/configure.in +++ b/configure.in @@ -4,7 +4,7 @@ AC_INIT(src/gmxlib/3dview.c) AC_PREREQ(2.13) AC_CONFIG_AUX_DIR(./config) -AM_INIT_AUTOMAKE(gromacs, 3.0b) +AM_INIT_AUTOMAKE(gromacs, 3.0) AC_PREFIX_DEFAULT(/usr/local/gromacs) AM_CONFIG_HEADER(src/include/config.h) @@ -743,6 +743,7 @@ AC_OUTPUT([Makefile src/ngmx/Makefile src/include/Makefile src/include/types/Makefile + src/contrib/Makefile tutor/Makefile tutor/gmxdemo/Makefile tutor/nmr1/Makefile diff --git a/include/3dview.h b/include/3dview.h index 9607df393d..7f687922c5 100644 --- a/include/3dview.h +++ b/include/3dview.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners diff --git a/include/assert.h b/include/assert.h index eb88428390..f674ee96d5 100644 --- a/include/assert.h +++ b/include/assert.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners diff --git a/include/atomprop.h b/include/atomprop.h index cbbc6af9a4..cf2ef75868 100644 --- a/include/atomprop.h +++ b/include/atomprop.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners */ - static char *SRCID_atomprop_h = "$Id$"; #ifdef HAVE_CONFIG_H #include diff --git a/include/axp_asm.h b/include/axp_asm.h index 3c38b0b310..591a58cc28 100644 --- a/include/axp_asm.h +++ b/include/axp_asm.h @@ -1,4 +1,39 @@ -#ifdef HAVE_CONFIG_H +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * Good ROcking Metal Altar for Chronical Sinners + */ +static char *SRCID_axp_asm_h = "$Id$"; #include #endif diff --git a/include/binio.h b/include/binio.h index 23af481054..931079f889 100644 --- a/include/binio.h +++ b/include/binio.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners diff --git a/include/block_tx.h b/include/block_tx.h index 7975c23613..6faac5eb6a 100644 --- a/include/block_tx.h +++ b/include/block_tx.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners */ static char *SRCID_block_tx_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/bondf.h b/include/bondf.h index d535f21251..4969ffa740 100644 --- a/include/bondf.h +++ b/include/bondf.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _bondf_h static char *SRCID_bondf_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/buffer.h b/include/buffer.h index 5bbbe0aeea..beb53437f6 100644 --- a/include/buffer.h +++ b/include/buffer.h @@ -1,38 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _buffer_h #define _buffer_h - static char *SRCID_buffer_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/calcgrid.h b/include/calcgrid.h index e5509e6a9c..68e451b1dd 100644 --- a/include/calcgrid.h +++ b/include/calcgrid.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * GRowing Old MAkes el Chrono Sweat + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_calcgrid_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/calch.h b/include/calch.h index 2212ca2211..8dd06643a7 100644 --- a/include/calch.h +++ b/include/calch.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _calch_h #define _calch_h static char *SRCID_calch_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/calcmu.h b/include/calcmu.h index e3e9083fee..ecc00fcc08 100644 --- a/include/calcmu.h +++ b/include/calcmu.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _calcmu_h #define _calcmu_h static char *SRCID_calcmu_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/callf77.h b/include/callf77.h index 301f3d5ea5..a52aa1a53c 100644 --- a/include/callf77.h +++ b/include/callf77.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _callf77_h #define _callf77_h static char *SRCID_callf77_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/comlib.h b/include/comlib.h index 857aedf4d5..665b2925d6 100644 --- a/include/comlib.h +++ b/include/comlib.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _comlib_h #define _comlib_h static char *SRCID_comlib_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/complex.h b/include/complex.h index 88da6ac5cb..89ec99fcb2 100644 --- a/include/complex.h +++ b/include/complex.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _complex_h #define _complex_h static char *SRCID_complex_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/comtest.h b/include/comtest.h index 07934c9abf..f7b545a759 100644 --- a/include/comtest.h +++ b/include/comtest.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _comtest_h #define _comtest_h static char *SRCID_comtest_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/confio.h b/include/confio.h index d0e4b2e22e..13a325e5d9 100644 --- a/include/confio.h +++ b/include/confio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _confio_h #define _confio_h static char *SRCID_confio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/constr.h b/include/constr.h index d6c7da2f36..65d5923be8 100644 --- a/include/constr.h +++ b/include/constr.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ static char *SRCID_constr_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/copyrite.h b/include/copyrite.h index 56aa91244c..88801f9399 100644 --- a/include/copyrite.h +++ b/include/copyrite.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _copyrite_h #define _copyrite_h static char *SRCID_copyrite_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/delay.h b/include/delay.h index 0b658c8620..4e1d031aba 100644 --- a/include/delay.h +++ b/include/delay.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _delay_h #define _delay_h static char *SRCID_delay_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/disre.h b/include/disre.h index d5893bb5fd..dc1d192022 100644 --- a/include/disre.h +++ b/include/disre.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _disre_h static char *SRCID_disre_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/do_fit.h b/include/do_fit.h index 3382cca1c7..c59ff62eb3 100644 --- a/include/do_fit.h +++ b/include/do_fit.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _do_fit_h static char *SRCID_do_fit_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/do_md.h b/include/do_md.h index 5fa3243ec6..3b71e7a8dd 100644 --- a/include/do_md.h +++ b/include/do_md.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _do_md_h static char *SRCID_do_md_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/do_nm.h b/include/do_nm.h index f53c0a82b3..993f228c39 100644 --- a/include/do_nm.h +++ b/include/do_nm.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _do_nm_h static char *SRCID_do_nm_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/dummies.h b/include/dummies.h index ef422d4dff..e8520d7468 100644 --- a/include/dummies.h +++ b/include/dummies.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _dummies_h static char *SRCID_dummies_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/ebin.h b/include/ebin.h index 44c9a0168a..4305d4632d 100644 --- a/include/ebin.h +++ b/include/ebin.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _ebin_h static char *SRCID_ebin_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/edsam.h b/include/edsam.h index b9fa8281d7..dfd53b51e1 100644 --- a/include/edsam.h +++ b/include/edsam.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _edsam_h static char *SRCID_edsam_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/enxio.h b/include/enxio.h index e76de7c323..13bdfb5d7a 100644 --- a/include/enxio.h +++ b/include/enxio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners */ -#ifndef _enxio_h -#define _enxio_h +#ifndef _enxio_h +#define _enxio_h static char *SRCID_enxio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/ewald.h b/include/ewald.h index ecbc34aa2c..63daabd343 100644 --- a/include/ewald.h +++ b/include/ewald.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _ewald_h static char *SRCID_ewald_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/ewald_util.h b/include/ewald_util.h index 773c7cee03..432a28d9ef 100644 --- a/include/ewald_util.h +++ b/include/ewald_util.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _ewald_util_h #define _ewald_util_h static char *SRCID_ewald_util_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/fatal.h b/include/fatal.h index 5cd8e437fe..317c9c23ff 100644 --- a/include/fatal.h +++ b/include/fatal.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _fatal_h #define _fatal_h static char *SRCID_fatal_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/ffscanf.h b/include/ffscanf.h index fe5f520631..002b09c932 100644 --- a/include/ffscanf.h +++ b/include/ffscanf.h @@ -1,34 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_ffscanf_h = "$Id$"; - - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/fftgrid.h b/include/fftgrid.h index d1b219149c..f45e2a566a 100644 --- a/include/fftgrid.h +++ b/include/fftgrid.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _fftgrid_h #define _fftgrid_h static char *SRCID_fftgrid_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/fftw_wrapper.h b/include/fftw_wrapper.h index 173f5dd007..fbb6bd6b82 100644 --- a/include/fftw_wrapper.h +++ b/include/fftw_wrapper.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _fftw_wrapper_h #define _fftw_wrapper_h static char *SRCID_fftw_wrapper_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/filenm.h b/include/filenm.h index 1c93ed97c5..2fbc0e0e01 100644 --- a/include/filenm.h +++ b/include/filenm.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _filenm_h #define _filenm_h static char *SRCID_filenm_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/force.h b/include/force.h index 8ced8d3a2a..c2ae03860b 100644 --- a/include/force.h +++ b/include/force.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _force_h #define _force_h static char *SRCID_force_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/futil.h b/include/futil.h index 891d8ee413..01594543b0 100644 --- a/include/futil.h +++ b/include/futil.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _futil_h #define _futil_h static char *SRCID_futil_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/gbutil.h b/include/gbutil.h index cd1b9b30a3..d91249c5cd 100644 --- a/include/gbutil.h +++ b/include/gbutil.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_gbutil_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/general.h b/include/general.h index 0faa938e1a..acfc7b643c 100644 --- a/include/general.h +++ b/include/general.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_general_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/gmxfio.h b/include/gmxfio.h index 98f0997278..fee89548e4 100644 --- a/include/gmxfio.h +++ b/include/gmxfio.h @@ -1,35 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _gmxfio_h #define _gmxfio_h +static char *SRCID_gmxfio_h = "$Id$"; #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/grompp.h b/include/grompp.h index 0fcfe4a7b5..e552c6883d 100644 --- a/include/grompp.h +++ b/include/grompp.h @@ -1,35 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _grompp_h #define _grompp_h +static char *SRCID_grompp_h = "$Id$"; #include static char *SRCID_grompp_h = "$Id$"; diff --git a/include/gstat.h b/include/gstat.h index 53e43d2f0f..7739934547 100644 --- a/include/gstat.h +++ b/include/gstat.h @@ -1,35 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _gstat_h #define _gstat_h +static char *SRCID_gstat_h = "$Id$"; #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/index.h b/include/index.h index e0187c6772..8c9e894edc 100644 --- a/include/index.h +++ b/include/index.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ static char *SRCID_index_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/init.h b/include/init.h index cf791c911f..563aa319e4 100644 --- a/include/init.h +++ b/include/init.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _init_h static char *SRCID_init_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/inloop.h b/include/inloop.h index 7e65418d6c..d919709c29 100644 --- a/include/inloop.h +++ b/include/inloop.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners */ static char *SRCID_inloop_h = "$Id$"; - #ifndef _in_loop_h_ #define _in_loop_h_ diff --git a/include/invblock.h b/include/invblock.h index 604fdeb52d..6674db2f51 100644 --- a/include/invblock.h +++ b/include/invblock.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _invblock_h static char *SRCID_invblock_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/javaio.h b/include/javaio.h index c3f32dd66d..cd614da151 100644 --- a/include/javaio.h +++ b/include/javaio.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _javaio_h static char *SRCID_javaio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/list.h b/include/list.h index 3b4d389932..8a25ae5475 100644 --- a/include/list.h +++ b/include/list.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _list_h static char *SRCID_list_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/macros.h b/include/macros.h index 79eb874b47..6f2aaea22a 100644 --- a/include/macros.h +++ b/include/macros.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _macros_h static char *SRCID_macros_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/magic.h b/include/magic.h index 5517397e88..ff54abe697 100644 --- a/include/magic.h +++ b/include/magic.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners */ static char *SRCID_magic_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/main.h b/include/main.h index 905654d80b..abeb51f54c 100644 --- a/include/main.h +++ b/include/main.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _main_h static char *SRCID_main_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/maths.h b/include/maths.h index 45ac1b77a9..42c77be02e 100644 --- a/include/maths.h +++ b/include/maths.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _maths_h static char *SRCID_maths_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/matio.h b/include/matio.h index 6f93b953ef..211923a53d 100644 --- a/include/matio.h +++ b/include/matio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _matio_h #define _matio_h static char *SRCID_matio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/mdatoms.h b/include/mdatoms.h index 35bcad1b08..69cad3d5f8 100644 --- a/include/mdatoms.h +++ b/include/mdatoms.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _mdatoms_h #define _mdatoms_h static char *SRCID_mdatoms_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/mdebin.h b/include/mdebin.h index ca92fcef50..0781ea34a0 100644 --- a/include/mdebin.h +++ b/include/mdebin.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _mdebin_h #define _mdebin_h static char *SRCID_mdebin_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/mdrun.h b/include/mdrun.h index 33968b548a..be3fa80fad 100644 --- a/include/mdrun.h +++ b/include/mdrun.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _mdrun_h #define _mdrun_h static char *SRCID_mdrun_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/memdump.h b/include/memdump.h index c468c8c3a0..19bb19f429 100644 --- a/include/memdump.h +++ b/include/memdump.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _memdump_h #define _memdump_h static char *SRCID_memdump_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/memtab.h b/include/memtab.h index ce7e585e78..05d2867505 100644 --- a/include/memtab.h +++ b/include/memtab.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _memtab_h #define _memtab_h static char *SRCID_memtab_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/memtest.h b/include/memtest.h index 055bbe3d7f..edaa4dff51 100644 --- a/include/memtest.h +++ b/include/memtest.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _memtest_h #define _memtest_h static char *SRCID_memtest_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/metacode.h b/include/metacode.h index cbd4ee9f65..86f0d6de7a 100644 --- a/include/metacode.h +++ b/include/metacode.h @@ -1,6 +1,43 @@ +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * Giving Russians Opium May Alter Current Situation + */ + #ifndef _metacode_h #define _metacode_h +static char *SRCID_metacode_h = "$Id$"; #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/mpiio.h b/include/mpiio.h index 6363bbbc54..b305a69ab8 100644 --- a/include/mpiio.h +++ b/include/mpiio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _mpiio_h #define _mpiio_h static char *SRCID_mpiio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/mshift.h b/include/mshift.h index 69c6251ce6..752ccea89c 100644 --- a/include/mshift.h +++ b/include/mshift.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _mshift_h #define _mshift_h static char *SRCID_mshift_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/mvdata.h b/include/mvdata.h index 126a9869cc..c50e16137b 100644 --- a/include/mvdata.h +++ b/include/mvdata.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _mvdata_h #define _mvdata_h static char *SRCID_mvdata_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/names.h b/include/names.h index 734b017173..c5159943fd 100644 --- a/include/names.h +++ b/include/names.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _names_h #define _names_h static char *SRCID_names_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/network.h b/include/network.h index ccde422f1a..606dc82670 100644 --- a/include/network.h +++ b/include/network.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _network_h #define _network_h static char *SRCID_network_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/nhash.h b/include/nhash.h index ce5b1eaedc..e3e6f1316e 100644 --- a/include/nhash.h +++ b/include/nhash.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _nhash_h #define _nhash_h static char *SRCID_nhash_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/nr.h b/include/nr.h index a11d30f691..b60f7e6122 100644 --- a/include/nr.h +++ b/include/nr.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _nr_h static char *SRCID_nr_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/nrama.h b/include/nrama.h index cd1d07f892..bd3a33d782 100644 --- a/include/nrama.h +++ b/include/nrama.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _nrama_h static char *SRCID_nrama_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/nrjac.h b/include/nrjac.h index 5764aae072..317d07a08b 100644 --- a/include/nrjac.h +++ b/include/nrjac.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _nrjac_h static char *SRCID_nrjac_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/nrnb.h b/include/nrnb.h index 668424173a..09997da8f4 100644 --- a/include/nrnb.h +++ b/include/nrnb.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _nrnb_h static char *SRCID_nrnb_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/ns.h b/include/ns.h index 5be58702f6..7218ac6987 100644 --- a/include/ns.h +++ b/include/ns.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _ns_h static char *SRCID_ns_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/nsb.h b/include/nsb.h index 6e39fd1f3f..fc0c9e9cf6 100644 --- a/include/nsb.h +++ b/include/nsb.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _nsb_h static char *SRCID_nsb_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/nsgrid.h b/include/nsgrid.h index 6e67eb40d6..561a15f71c 100644 --- a/include/nsgrid.h +++ b/include/nsgrid.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _nsgrid_h static char *SRCID_nsgrid_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/pbc.h b/include/pbc.h index 8f8cb28ab6..5f4068508e 100644 --- a/include/pbc.h +++ b/include/pbc.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _pbc_h static char *SRCID_pbc_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/pdbio.h b/include/pdbio.h index 6e87a75dcb..d006473c92 100644 --- a/include/pdbio.h +++ b/include/pdbio.h @@ -1,27 +1,34 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: * Good ROcking Metal Altar for Chronical Sinners @@ -31,7 +38,6 @@ #define _pdbio_h static char *SRCID_pdbio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/pdebug.h b/include/pdebug.h index cf1912612b..d4c8dde3cd 100644 --- a/include/pdebug.h +++ b/include/pdebug.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _pdebug_h #define _pdebug_h static char *SRCID_pdebug_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/physics.h b/include/physics.h index 8ea92a8633..8bffe957b4 100644 --- a/include/physics.h +++ b/include/physics.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _physics_h #define _physics_h static char *SRCID_physics_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/pme.h b/include/pme.h index e9a7fb06c8..89c18e775e 100644 --- a/include/pme.h +++ b/include/pme.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _pme_h #define _pme_h static char *SRCID_pme_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/pppm.h b/include/pppm.h index 0b538d5fbb..571c2e1326 100644 --- a/include/pppm.h +++ b/include/pppm.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _pppm_h #define _pppm_h static char *SRCID_pppm_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/princ.h b/include/princ.h index 155b6a8bcc..ce21023ffa 100644 --- a/include/princ.h +++ b/include/princ.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _princ_h #define _princ_h static char *SRCID_princ_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/pull.h b/include/pull.h index 9c65c27ba0..d1a2aa25ae 100644 --- a/include/pull.h +++ b/include/pull.h @@ -1,38 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ - #ifndef _pull_h #define _pull_h static char *SRCID_pull_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/random.h b/include/random.h index 290fb8f368..37928d9fe1 100644 --- a/include/random.h +++ b/include/random.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _random_h #define _random_h static char *SRCID_random_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/rbin.h b/include/rbin.h index c6a45ba7e8..9a30818418 100644 --- a/include/rbin.h +++ b/include/rbin.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _rbin_h #define _rbin_h static char *SRCID_rbin_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/rdgroup.h b/include/rdgroup.h index a5fef7049d..13f55124f7 100644 --- a/include/rdgroup.h +++ b/include/rdgroup.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _rdgroup_h #define _rdgroup_h static char *SRCID_rdgroup_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/rdklib.h b/include/rdklib.h index bfffe53851..f0bd17c535 100644 --- a/include/rdklib.h +++ b/include/rdklib.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ static char *SRCID_rdklib_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/readcomp.h b/include/readcomp.h index 7347c0fd0d..00369df945 100644 --- a/include/readcomp.h +++ b/include/readcomp.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _readcomp_h #define _readcomp_h static char *SRCID_readcomp_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/readinp.h b/include/readinp.h index 1a223d75c7..61f80d1ddc 100644 --- a/include/readinp.h +++ b/include/readinp.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _readinp_h #define _readinp_h static char *SRCID_readinp_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/renum.h b/include/renum.h index 0c430825d6..5fbf163f39 100644 --- a/include/renum.h +++ b/include/renum.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _renum_h #define _renum_h static char *SRCID_renum_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/reorder.h b/include/reorder.h index a01269c763..83662e2899 100644 --- a/include/reorder.h +++ b/include/reorder.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _reorder_h #define _reorder_h static char *SRCID_reorder_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/rmpbc.h b/include/rmpbc.h index c34d663b49..a9ac04591e 100644 --- a/include/rmpbc.h +++ b/include/rmpbc.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _rmpbc_h #define _rmpbc_h static char *SRCID_rmpbc_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/rwtop.h b/include/rwtop.h index 202cfd26d8..8a48a360fa 100644 --- a/include/rwtop.h +++ b/include/rwtop.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _rwtop_h #define _rwtop_h static char *SRCID_rwtop_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/sheader.h b/include/sheader.h index ede15483b3..711baa2f1e 100644 --- a/include/sheader.h +++ b/include/sheader.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _sheader_h #define _sheader_h static char *SRCID_sheader_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/shift.h b/include/shift.h index 49d1dfa818..d05838c31e 100644 --- a/include/shift.h +++ b/include/shift.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _shift_h #define _shift_h static char *SRCID_shift_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/shift_util.h b/include/shift_util.h index 90a31ebe6c..4ae8648f40 100644 --- a/include/shift_util.h +++ b/include/shift_util.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _shift_util_h #define _shift_util_h static char *SRCID_shift_util_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/sim_util.h b/include/sim_util.h index eff1b185c8..efdc156a90 100644 --- a/include/sim_util.h +++ b/include/sim_util.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _sim_util_h #define _sim_util_h static char *SRCID_sim_util_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/smalloc.h b/include/smalloc.h index bfb5e12ef8..a2bcabc0c3 100644 --- a/include/smalloc.h +++ b/include/smalloc.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _smalloc_h #define _smalloc_h static char *SRCID_smalloc_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/sortwater.h b/include/sortwater.h index 4dc0561d1a..09ef18df86 100644 --- a/include/sortwater.h +++ b/include/sortwater.h @@ -1,6 +1,43 @@ +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * Good ROcking Metal Altar for Chronical Sinners + */ + #ifndef _sortwater_h #define _sortwater_h +static char *SRCID_sortwater_h = "$Id$"; #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/split.h b/include/split.h index 8e2bdd548a..628ac3cdb0 100644 --- a/include/split.h +++ b/include/split.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _split_h #define _split_h static char *SRCID_split_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/statusio.h b/include/statusio.h index e45898c561..c8ab65f4f8 100644 --- a/include/statusio.h +++ b/include/statusio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _statusio_h #define _statusio_h static char *SRCID_statusio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/statutil.h b/include/statutil.h index c97f6e1265..4d1e32608d 100644 --- a/include/statutil.h +++ b/include/statutil.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _statutil_h #define _statutil_h static char *SRCID_statutil_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/steep.h b/include/steep.h index d7737b7a98..5cec389940 100644 --- a/include/steep.h +++ b/include/steep.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _steep_h #define _steep_h static char *SRCID_steep_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/strdb.h b/include/strdb.h index 50ffb859c3..05c97a3e8f 100644 --- a/include/strdb.h +++ b/include/strdb.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _strdb_h #define _strdb_h static char *SRCID_strdb_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/string2.h b/include/string2.h index 158a287844..d411cfa805 100644 --- a/include/string2.h +++ b/include/string2.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _string2_h #define _string2_h static char *SRCID_string2_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/struc2.h b/include/struc2.h index cb11e1ade9..e62ef54d9f 100644 --- a/include/struc2.h +++ b/include/struc2.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _struc2_h #define _struc2_h static char *SRCID_struc2_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/superb.h b/include/superb.h index 61944aa585..cede8ba610 100644 --- a/include/superb.h +++ b/include/superb.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _superb_h #define _superb_h static char *SRCID_superb_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/symtab.h b/include/symtab.h index 09bcc50673..49de16c0e8 100644 --- a/include/symtab.h +++ b/include/symtab.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _symtab_h #define _symtab_h static char *SRCID_symtab_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/sync.h b/include/sync.h index 21a4de5b3f..20caa128a1 100644 --- a/include/sync.h +++ b/include/sync.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _sync_h #define _sync_h static char *SRCID_sync_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/synclib.h b/include/synclib.h index d89575e20c..dfcea9133f 100644 --- a/include/synclib.h +++ b/include/synclib.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _synclib_h #define _synclib_h static char *SRCID_synclib_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/sysstuff.h b/include/sysstuff.h index f8fe3b6d2c..07e60604b3 100644 --- a/include/sysstuff.h +++ b/include/sysstuff.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _sysstuff_h #define _sysstuff_h static char *SRCID_sysstuff_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/systest.h b/include/systest.h index b8b15c4b0b..c07ffeac6e 100644 --- a/include/systest.h +++ b/include/systest.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _systest_h #define _systest_h static char *SRCID_systest_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/tags.h b/include/tags.h index eab45648f4..e2e1031ad4 100644 --- a/include/tags.h +++ b/include/tags.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _tags_h #define _tags_h static char *SRCID_tags_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/tgroup.h b/include/tgroup.h index 3a2608ccaf..32197f2c34 100644 --- a/include/tgroup.h +++ b/include/tgroup.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _tgroup_h #define _tgroup_h static char *SRCID_tgroup_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/tpxio.h b/include/tpxio.h index 92dc1797f2..8328a58977 100644 --- a/include/tpxio.h +++ b/include/tpxio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _tpxio_h #define _tpxio_h static char *SRCID_tpxio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/transfer.h b/include/transfer.h index 6d6c5d0fb0..761373a409 100644 --- a/include/transfer.h +++ b/include/transfer.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _transfer_h #define _transfer_h static char *SRCID_transfer_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/trnio.h b/include/trnio.h index 7939ceb515..2a7c5cc7da 100644 --- a/include/trnio.h +++ b/include/trnio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _trnio_h #define _trnio_h static char *SRCID_trnio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/txtdump.h b/include/txtdump.h index 16394e4b5f..96e8ec63fa 100644 --- a/include/txtdump.h +++ b/include/txtdump.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _txtdump_h #define _txtdump_h static char *SRCID_txtdump_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/typedefs.h b/include/typedefs.h index 1490cc537f..d38af11b72 100644 --- a/include/typedefs.h +++ b/include/typedefs.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _typedefs_h #define _typedefs_h static char *SRCID_typedefs_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif @@ -44,34 +50,34 @@ extern "C" { #define NOTSET -12345 #include -#include "sysstuff.h" -#include "types/simple.h" -#include "types/enums.h" -#include "types/block.h" -#include "types/symtab.h" -#include "types/idef.h" -#include "types/atoms.h" -#include "types/trx.h" -#include "types/topology.h" -#include "types/energy.h" -#include "types/inputrec.h" -#include "types/nsborder.h" -#include "types/ishift.h" -#include "types/graph.h" -#include "types/nrnb.h" -#include "types/nblist.h" -#include "types/nsgrid.h" -#include "types/commrec.h" -#include "types/forcerec.h" -#include "types/mdatom.h" -#include "types/ifunc.h" -#include "types/filenm.h" -#include "types/group.h" -#include "types/drblock.h" -#include "types/parm.h" -#include "types/matrix.h" -#include "types/edsams.h" -#include "types/pulls.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include /* Functions to initiate and delete structures * * These functions are defined in gmxlib/typedefs.c diff --git a/include/types/Makefile.am b/include/types/Makefile.am index 6b1eea9326..dda22b7978 100644 --- a/include/types/Makefile.am +++ b/include/types/Makefile.am @@ -2,11 +2,13 @@ # # Don't edit - this file is generated automatically from Makefile.am # -include_HEADERS = \ +includetypesdir = ${prefix}/include/types + +includetypes_HEADERS = \ atoms.h edsams.h forcerec.h ifunc.h \ mdatom.h nsborder.h simple.h block.h \ energy.h graph.h inputrec.h nblist.h \ nsgrid.h symtab.h commrec.h enums.h \ group.h ishift.h nbslist.h parm.h \ - topology.h drblock.h filenm.h idef.h \ + topology.h drblock.h filenm.h idef.h \ matrix.h nrnb.h pulls.h trx.h diff --git a/include/types/atoms.h b/include/types/atoms.h index fcf0342c5b..cbd28fb8c0 100644 --- a/include/types/atoms.h +++ b/include/types/atoms.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/block.h b/include/types/block.h index df1af385e0..b65f4f53c8 100644 --- a/include/types/block.h +++ b/include/types/block.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/commrec.h b/include/types/commrec.h index 98fe3a2882..74c1bdb2f4 100644 --- a/include/types/commrec.h +++ b/include/types/commrec.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/drblock.h b/include/types/drblock.h index 7d88518aee..5d83afb7ba 100644 --- a/include/types/drblock.h +++ b/include/types/drblock.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/edsams.h b/include/types/edsams.h index dae21d1bc1..838874b80e 100644 --- a/include/types/edsams.h +++ b/include/types/edsams.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/energy.h b/include/types/energy.h index 8b8a21a9d6..9a6ec3d293 100644 --- a/include/types/energy.h +++ b/include/types/energy.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/enums.h b/include/types/enums.h index 5336877e28..4521b74b41 100644 --- a/include/types/enums.h +++ b/include/types/enums.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/filenm.h b/include/types/filenm.h index 99695da274..996e8b9ee1 100644 --- a/include/types/filenm.h +++ b/include/types/filenm.h @@ -1,32 +1,37 @@ /* - * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/forcerec.h b/include/types/forcerec.h index 1adb5aa31d..249a1fa602 100644 --- a/include/types/forcerec.h +++ b/include/types/forcerec.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/graph.h b/include/types/graph.h index dd7a77d3ea..3057c134c7 100644 --- a/include/types/graph.h +++ b/include/types/graph.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/group.h b/include/types/group.h index eb1b2d9a97..f420ad2a01 100644 --- a/include/types/group.h +++ b/include/types/group.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/idef.h b/include/types/idef.h index 3a79b776fa..7df3b51e06 100644 --- a/include/types/idef.h +++ b/include/types/idef.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/ifunc.h b/include/types/ifunc.h index a8b86681d5..19b58cec81 100644 --- a/include/types/ifunc.h +++ b/include/types/ifunc.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/inputrec.h b/include/types/inputrec.h index 992cf3a47b..9f310ce5f0 100644 --- a/include/types/inputrec.h +++ b/include/types/inputrec.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/ishift.h b/include/types/ishift.h index 6c1f96fbdf..6204ae12c9 100644 --- a/include/types/ishift.h +++ b/include/types/ishift.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/matrix.h b/include/types/matrix.h index 419fe6e1f4..665f397e58 100644 --- a/include/types/matrix.h +++ b/include/types/matrix.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/mdatom.h b/include/types/mdatom.h index fe8769bab1..eb4d56af31 100644 --- a/include/types/mdatom.h +++ b/include/types/mdatom.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/nblist.h b/include/types/nblist.h index 608c178581..df962316d7 100644 --- a/include/types/nblist.h +++ b/include/types/nblist.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/nbslist.h b/include/types/nbslist.h index 8b341518c7..048de6c030 100644 --- a/include/types/nbslist.h +++ b/include/types/nbslist.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/nrnb.h b/include/types/nrnb.h index 8a7940eeaa..86c05d6d02 100644 --- a/include/types/nrnb.h +++ b/include/types/nrnb.h @@ -1,32 +1,37 @@ /* - * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/nsborder.h b/include/types/nsborder.h index e886f4a9e6..10bfe88198 100644 --- a/include/types/nsborder.h +++ b/include/types/nsborder.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/nsgrid.h b/include/types/nsgrid.h index d8964d219a..5427cfcf3e 100644 --- a/include/types/nsgrid.h +++ b/include/types/nsgrid.h @@ -1,32 +1,37 @@ /* - * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/parm.h b/include/types/parm.h index c43fda3b06..c3508095c7 100644 --- a/include/types/parm.h +++ b/include/types/parm.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/pulls.h b/include/types/pulls.h index dd89a17612..25dc7ddbb9 100644 --- a/include/types/pulls.h +++ b/include/types/pulls.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/simple.h b/include/types/simple.h index 1f9f0b2427..3dd9f36514 100644 --- a/include/types/simple.h +++ b/include/types/simple.h @@ -1,31 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ + #ifndef _simple_h #define _simple_h diff --git a/include/types/symtab.h b/include/types/symtab.h index ea8b919c92..f875b50f30 100644 --- a/include/types/symtab.h +++ b/include/types/symtab.h @@ -1,32 +1,37 @@ /* - * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/topology.h b/include/types/topology.h index 3b3bd101ed..df0a54a7d1 100644 --- a/include/types/topology.h +++ b/include/types/topology.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/types/trx.h b/include/types/trx.h index 2b28676812..7cb34a50c8 100644 --- a/include/types/trx.h +++ b/include/types/trx.h @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/update.h b/include/update.h index 7d35fff357..eee79c970e 100644 --- a/include/update.h +++ b/include/update.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _update_h #define _update_h static char *SRCID_update_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/utils.h b/include/utils.h index af2b45563b..bbcccab8a7 100644 --- a/include/utils.h +++ b/include/utils.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _utils_h #define _utils_h static char *SRCID_utils_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/vcm.h b/include/vcm.h index 63b67b3cba..c03c90b9cf 100644 --- a/include/vcm.h +++ b/include/vcm.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Good ROcking Metal Altar for Chronical Sinners */ #ifndef _vcm_h #define _vcm_h static char *SRCID_vcm_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/vec.h b/include/vec.h index d37f5784f8..9b1bce62fd 100644 --- a/include/vec.h +++ b/include/vec.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) - * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _vec_h #define _vec_h static char *SRCID_vec_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/viewit.h b/include/viewit.h index 2ce5e4ea12..c7a18fc213 100644 --- a/include/viewit.h +++ b/include/viewit.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Good ROcking Metal Altar for Chronical Sinners + * Giving Russians Opium May Alter Current Situation */ #ifndef _viewit_h #define _viewit_h static char *SRCID_viewit_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/vveclib.h b/include/vveclib.h index ac0dcbf6f7..dbde0a83a8 100644 --- a/include/vveclib.h +++ b/include/vveclib.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _vveclib_h #define _vveclib_h static char *SRCID_vveclib_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/wgms.h b/include/wgms.h index d6f02b8cc7..1d652f86e5 100644 --- a/include/wgms.h +++ b/include/wgms.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _wgms_h #define _wgms_h static char *SRCID_wgms_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/wman.h b/include/wman.h index 2a3d956e43..b7d05f068d 100644 --- a/include/wman.h +++ b/include/wman.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _wman_h #define _wman_h static char *SRCID_wman_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/writeps.h b/include/writeps.h index 6e541430c7..f2cd7431d2 100644 --- a/include/writeps.h +++ b/include/writeps.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * Giving Russians Opium May Alter Current Situation */ #ifndef _writeps_h #define _writeps_h static char *SRCID_writeps_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/x86_3dnow.h b/include/x86_3dnow.h index 5896682b70..6cb5ecacd5 100644 --- a/include/x86_3dnow.h +++ b/include/x86_3dnow.h @@ -1,6 +1,43 @@ +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * Giving Russians Opium May Alter Current Situation + */ + #ifndef _x86_3dnow_h #define _x86_3dnow_h +static char *SRCID_x86_3dnow_h = "$Id$"; #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/x86_cpu.h b/include/x86_cpu.h index 58b466f8d2..17344b89c2 100644 --- a/include/x86_cpu.h +++ b/include/x86_cpu.h @@ -1,6 +1,43 @@ +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * Giving Russians Opium May Alter Current Situation + */ + #ifndef _x86_cpu_h #define _x86_cpu_h +static char *SRCID_x86_cpu_h = "$Id$"; #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/x86_sse.h b/include/x86_sse.h index d46c6e387d..dcbc830db9 100644 --- a/include/x86_sse.h +++ b/include/x86_sse.h @@ -1,6 +1,43 @@ +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * GRoups of Organic Molecules in ACtion for Science + */ + #ifndef _x86_sse_h #define _x86_sse_h +static char *SRCID_x86_sse_h = "$Id$"; #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/xdrf.h b/include/xdrf.h index 791e1e8897..a600cc9846 100644 --- a/include/xdrf.h +++ b/include/xdrf.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _xdrf_h #define _xdrf_h static char *SRCID_xdrf_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/xtcio.h b/include/xtcio.h index 6cdc4abbdc..b960d09ea8 100644 --- a/include/xtcio.h +++ b/include/xtcio.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _xtcio_h #define _xtcio_h static char *SRCID_xtcio_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/include/xvgr.h b/include/xvgr.h index 06c5df10b6..8a4c5f791b 100644 --- a/include/xvgr.h +++ b/include/xvgr.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Green Red Orange Magenta Azure Cyan Skyblue + * GRoups of Organic Molecules in ACtion for Science */ #ifndef _xvgr_h #define _xvgr_h static char *SRCID_xvgr_h = "$Id$"; - #ifdef HAVE_CONFIG_H #include #endif diff --git a/share/template/Template.mak.in b/share/template/Template.mak.in index 04f829f9e3..182bd37198 100644 --- a/share/template/Template.mak.in +++ b/share/template/Template.mak.in @@ -1,11 +1,9 @@ # Generated automatically from Makefile.in by configure. # # This is a Gromacs 3.0 template makefile for your own utility programs. -# To enable -# the options in this file. # # Copy this file to whatever directory you are using for your own -# software and add more targets like the one below +# software and add more targets like the template one below. # # If you are using gmake it is relatively straightforward to add # an include based on environment variables (like previous Gromacs versions) @@ -15,13 +13,13 @@ # Variables set by the configuration script: prefix = @prefix@ exec_prefix = @exec_prefix@ -LDFLAGS = @LDFLAGS@ -CFLAGS = @CFLAGS@ -CPPFLAGS = @CPPFLAGS@ INCLUDES = -I@includedir@ @INCLUDES@ LIBS = -L@libdir@ -lmdXXX_SUFFIX_XXX -lgmxXXX_SUFFIX_XXX @LIBS@ +LDFLAGS = @LDFLAGS@ +CFLAGS = @CFLAGS@ $(INCLUDES) +CPPFLAGS = @CPPFLAGS@ CC = @CC@ -LD = $CC +LD = $(CC) # The real make targets - note that most make programs support # the shortcut $^ instead of listing all object files a second diff --git a/share/template/template.c b/share/template/template.c index c90c3c3879..f0c595ad75 100644 --- a/share/template/template.c +++ b/share/template/template.c @@ -1,13 +1,13 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 3.0 + * VERSION 3.0 * * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry @@ -31,7 +31,7 @@ * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * GROwing Monsters And Cloning Shrimps + * Gyas ROwers Mature At Cryogenic Speed */ static char *SRCID_template_c = "$Id$"; #include "statutil.h" diff --git a/src/Makefile.am b/src/Makefile.am index 63d2114a6c..8bfd849d0d 100644 --- a/src/Makefile.am +++ b/src/Makefile.am @@ -5,7 +5,7 @@ include $(srcdir)/Makefile.inc -SUBDIRS = include gmxlib mdlib kernel tools ngmx +SUBDIRS = include gmxlib mdlib kernel tools ngmx contrib # don't do anything for the local directory EXTRA_DIST = Makefile.inc diff --git a/src/contrib/Makefile.am b/src/contrib/Makefile.am index f38f0684bf..3fbbecb3d2 100644 --- a/src/contrib/Makefile.am +++ b/src/contrib/Makefile.am @@ -10,44 +10,52 @@ INCLUDES = @INCLUDES@ -I$(top_srcdir)/src/include LDFLAGS = @LDFLAGS@ -L${top_builddir}/src/gmxlib -L${top_builddir}/src/mdlib LDADD = -lmdXXX_SUFFIX_XXX -lgmxXXX_SUFFIX_XXX -bin_PROGRAMS = xmdrunXXX_SUFFIX_XXX sigepsXXX_SUFFIX_XXX mk6_nXXX_SUFFIX_XXX +# NB: The programs in contrib do not get double/mpi suffixes automatically, +# to make it easier for new developers to understand this file. If you want +# to have it, append "XXX_SUFFIX_XXX" to the program name. +# These programs are not compiled or installed by default - you will have to +# issue "make " and copy the binary to the correct location yourself! +# Add new entries in Makefile.am! -xmdrunXXX_SUFFIX_XXX_SOURCES = xmdrun.c do_gct.c init_sh.c gctio.c glaasje.c ionize.c relax_sh.c +EXTRA_PROGRAMS = xmdrun sigeps mk6_n copyrgt mkyaw prfn eanal hrefify mkice \ + total hexamer optwat addquote do_shift g_anavel my_dssp anaf \ + listquotes -copyrgtXXX_SUFFIX_XXX_SOURCES = copyrgt.c +xmdrun_SOURCES = xmdrun.c do_gct.c init_sh.c gctio.c glaasje.c ionize.c relax_sh.c -sigepsXXX_SUFFIX_XXX_SOURCES = sigeps.c +copyrgt_SOURCES = copyrgt.c -mk6_nXXX_SUFFIX_XXX_SOURCES = mk6_n.c +sigeps_SOURCES = sigeps.c -my_dsspXXX_SUFFIX_XXX_SOURCES = my_dssp.c dsspcore.c +mk6_n_SOURCES = mk6_n.c -hrefifyXXX_SUFFIX_XXX_SOURCES = hrefify.c +my_dssp_SOURCES = my_dssp.c dsspcore.c -totalXXX_SUFFIX_XXX_SOURCES = total.f +hrefify_SOURCES = hrefify.c -optwatXXX_SUFFIX_XXX_SOURCES = optwat.c +total_SOURCES = total.f -hexamerXXX_SUFFIX_XXX_SOURCES = hexamer.c +optwat_SOURCES = optwat.c -do_shiftXXX_SUFFIX_XXX_SOURCES = do_shift.c +hexamer_SOURCES = hexamer.c -anafXXX_SUFFIX_XXX_SOURCES = anaf.c +do_shift_SOURCES = do_shift.c -mkyawXXX_SUFFIX_XXX_SOURCES = mkyaw.c +anaf_SOURCES = anaf.c -mkiceXXX_SUFFIX_XXX_SOURCES = mkice.c +mkyaw_SOURCES = mkyaw.c -prfnXXX_SUFFIX_XXX_SOURCES = prfn.c +mkice_SOURCES = mkice.c -g_anavelXXX_SUFFIX_XXX_SOURCES = g_anavel.c +prfn_SOURCES = prfn.c -addquoteXXX_SUFFIX_XXX_SOURCES = addquote.c +g_anavel_SOURCES = g_anavel.c -listquotesXXX_SUFFIX_XXX_SOURCES = listquotes.c +addquote_SOURCES = addquote.c -eanalXXX_SUFFIX_XXX_SOURCES = eanal.o +listquotes_SOURCES = listquotes.c +eanal_SOURCES = eanal.o # clean things explicitly, since the target names might have changed CLEANFILES = ${bin_PROGRAMS} ${EXTRA_PROGRAMS} \ diff --git a/src/contrib/Makefile.in b/src/contrib/Makefile.in index e69de29bb2..2d863062cf 100644 --- a/src/contrib/Makefile.in +++ b/src/contrib/Makefile.in @@ -0,0 +1,540 @@ +# Makefile.in generated automatically by automake 1.4-p1 from Makefile.am + +# Copyright (C) 1994, 1995-8, 1999 Free Software Foundation, Inc. +# This Makefile.in is free software; the Free Software Foundation +# gives unlimited permission to copy and/or distribute it, +# with or without modifications, as long as this notice is preserved. + +# This program is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY, to the extent permitted by law; without +# even the implied warranty of MERCHANTABILITY or FITNESS FOR A +# PARTICULAR PURPOSE. + +# +# Don't edit - this file is generated automatically from Makefile.am +# + + +# +# Don't edit - this file is generated automatically from Makefile.am +# + +# The asm suffix is for intel syntax assembly, and +# the s suffix for at & t syntax. +# S suffix files will be preprocessed by cpp, nasm +# on the other hand can do this directly. + + +SHELL = @SHELL@ + +srcdir = @srcdir@ +top_srcdir = @top_srcdir@ +VPATH = @srcdir@ +prefix = @prefix@ +exec_prefix = @exec_prefix@ + +bindir = @bindir@ +sbindir = @sbindir@ +libexecdir = @libexecdir@ +datadir = @datadir@ +sysconfdir = @sysconfdir@ +sharedstatedir = @sharedstatedir@ +localstatedir = @localstatedir@ +libdir = @libdir@ +infodir = @infodir@ +mandir = @mandir@ +includedir = @includedir@ +oldincludedir = /usr/include + +DESTDIR = + +pkgdatadir = $(datadir)/@PACKAGE@ +pkglibdir = $(libdir)/@PACKAGE@ +pkgincludedir = $(includedir)/@PACKAGE@ + +top_builddir = ../.. + +ACLOCAL = @ACLOCAL@ +AUTOCONF = @AUTOCONF@ +AUTOMAKE = @AUTOMAKE@ +AUTOHEADER = @AUTOHEADER@ + +INSTALL = @INSTALL@ +INSTALL_PROGRAM = @INSTALL_PROGRAM@ $(AM_INSTALL_PROGRAM_FLAGS) +INSTALL_DATA = @INSTALL_DATA@ +INSTALL_SCRIPT = @INSTALL_SCRIPT@ +transform = @program_transform_name@ + +NORMAL_INSTALL = : +PRE_INSTALL = : +POST_INSTALL = : +NORMAL_UNINSTALL = : +PRE_UNINSTALL = : +POST_UNINSTALL = : +host_alias = @host_alias@ +host_triplet = @host@ +AXP_ASM_OBJ = @AXP_ASM_OBJ@ +BUILD_CC = @BUILD_CC@ +CC = @CC@ +CPP = @CPP@ +F77 = @F77@ +FLIBS = @FLIBS@ +IDENT = @IDENT@ +INNER_C_OBJ = @INNER_C_OBJ@ +INNER_F77_OBJ = @INNER_F77_OBJ@ +MAKEINFO = @MAKEINFO@ +MOTIF_OBJ = @MOTIF_OBJ@ +MPICC = @MPICC@ +NASM = @NASM@ +NASMFLAGS = @NASMFLAGS@ +PACKAGE = @PACKAGE@ +PAR_OBJ = @PAR_OBJ@ +RANLIB = @RANLIB@ +SSE_OBJ = @SSE_OBJ@ +SUFFIX = @SUFFIX@ +TDN_OBJ = @TDN_OBJ@ +VERSION = @VERSION@ +X86_ASM_OBJ = @X86_ASM_OBJ@ +XDR_OBJ = @XDR_OBJ@ +bindir = @bindir@ +libdir = @libdir@ + +SUFFIXES = .asm .S .F + +################# +# We need a second compile command producing executables +# that can be run on the local host to make the innerloops. +# In most cases this is identical to the normal one, but not +# for cross-compilation. We also need it on parallel machines +# where the MPI executables cannot be run outside a batch queue. + +# This might be bad - but I don't know any other way to enable +# us to type make in subdirs right now +#AM_CPPFLAGS = -DHAVE_CONFIG_H + +BUILD_COMPILE = $(BUILD_CC) $(DEFS) $(INCLUDES) $(AM_CPPFLAGS) $(CPPFLAGS) $(AM_CFLAGS) $(CFLAGS) + +# This is necessary for VPATH to work, +# but it can probably be done in a nicer way... +INCLUDES = @INCLUDES@ -I$(top_srcdir)/src/include +LDFLAGS = @LDFLAGS@ -L${top_builddir}/src/gmxlib -L${top_builddir}/src/mdlib +LDADD = -lmdXXX_SUFFIX_XXX -lgmxXXX_SUFFIX_XXX + +# NB: The programs in contrib do not get double/mpi suffixes automatically, +# to make it easier for new developers to understand this file. If you want +# to have it, append "XXX_SUFFIX_XXX" to the program name. +# These programs are not compiled or installed by default - you will have to +# issue "make " and copy the binary to the correct location yourself! +# Add new entries in Makefile.am! + +EXTRA_PROGRAMS = xmdrun sigeps mk6_n copyrgt mkyaw prfn eanal hrefify mkice total hexamer optwat addquote do_shift g_anavel my_dssp anaf listquotes + + +xmdrun_SOURCES = xmdrun.c do_gct.c init_sh.c gctio.c glaasje.c ionize.c relax_sh.c + +copyrgt_SOURCES = copyrgt.c + +sigeps_SOURCES = sigeps.c + +mk6_n_SOURCES = mk6_n.c + +my_dssp_SOURCES = my_dssp.c dsspcore.c + +hrefify_SOURCES = hrefify.c + +total_SOURCES = total.f + +optwat_SOURCES = optwat.c + +hexamer_SOURCES = hexamer.c + +do_shift_SOURCES = do_shift.c + +anaf_SOURCES = anaf.c + +mkyaw_SOURCES = mkyaw.c + +mkice_SOURCES = mkice.c + +prfn_SOURCES = prfn.c + +g_anavel_SOURCES = g_anavel.c + +addquote_SOURCES = addquote.c + +listquotes_SOURCES = listquotes.c + +eanal_SOURCES = eanal.o + +# clean things explicitly, since the target names might have changed +CLEANFILES = ${bin_PROGRAMS} ${EXTRA_PROGRAMS} *_mpi *_d *~ \\\#* + +mkinstalldirs = $(SHELL) $(top_srcdir)/./config/mkinstalldirs +CONFIG_HEADER = ../../src/include/config.h +CONFIG_CLEAN_FILES = + +DEFS = @DEFS@ -I. -I$(srcdir) -I../../src/include +CPPFLAGS = @CPPFLAGS@ +LIBS = @LIBS@ +X_CFLAGS = @X_CFLAGS@ +X_LIBS = @X_LIBS@ +X_EXTRA_LIBS = @X_EXTRA_LIBS@ +X_PRE_LIBS = @X_PRE_LIBS@ +xmdrun_OBJECTS = xmdrun.o do_gct.o init_sh.o gctio.o glaasje.o ionize.o \ +relax_sh.o +xmdrun_LDADD = $(LDADD) +xmdrun_DEPENDENCIES = +xmdrun_LDFLAGS = +sigeps_OBJECTS = sigeps.o +sigeps_LDADD = $(LDADD) +sigeps_DEPENDENCIES = +sigeps_LDFLAGS = +mk6_n_OBJECTS = mk6_n.o +mk6_n_LDADD = $(LDADD) +mk6_n_DEPENDENCIES = +mk6_n_LDFLAGS = +copyrgt_OBJECTS = copyrgt.o +copyrgt_LDADD = $(LDADD) +copyrgt_DEPENDENCIES = +copyrgt_LDFLAGS = +mkyaw_OBJECTS = mkyaw.o +mkyaw_LDADD = $(LDADD) +mkyaw_DEPENDENCIES = +mkyaw_LDFLAGS = 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$(HEADERS) $(SOURCES) $(LISP) + list='$(SOURCES) $(HEADERS)'; \ + unique=`for i in $$list; do echo $$i; done | \ + awk ' { files[$$0] = 1; } \ + END { for (i in files) print i; }'`; \ + here=`pwd` && cd $(srcdir) \ + && mkid -f$$here/ID $$unique $(LISP) + +TAGS: $(HEADERS) $(SOURCES) $(TAGS_DEPENDENCIES) $(LISP) + tags=; \ + here=`pwd`; \ + list='$(SOURCES) $(HEADERS)'; \ + unique=`for i in $$list; do echo $$i; done | \ + awk ' { files[$$0] = 1; } \ + END { for (i in files) print i; }'`; \ + test -z "$(ETAGS_ARGS)$$unique$(LISP)$$tags" \ + || (cd $(srcdir) && etags $(ETAGS_ARGS) $$tags $$unique $(LISP) -o $$here/TAGS) + +mostlyclean-tags: + +clean-tags: + +distclean-tags: + -rm -f TAGS ID + +maintainer-clean-tags: + +distdir = $(top_builddir)/$(PACKAGE)-$(VERSION)/$(subdir) + +subdir = src/contrib + +distdir: $(DISTFILES) + here=`cd $(top_builddir) && pwd`; \ + top_distdir=`cd $(top_distdir) && pwd`; \ + distdir=`cd $(distdir) && pwd`; \ + cd $(top_srcdir) \ + && $(AUTOMAKE) --include-deps --build-dir=$$here --srcdir-name=$(top_srcdir) --output-dir=$$top_distdir --gnu src/contrib/Makefile + @for file in $(DISTFILES); do \ + d=$(srcdir); \ + if test -d $$d/$$file; then \ + cp -pr $$d/$$file $(distdir)/$$file; \ + else \ + test -f $(distdir)/$$file \ + || ln $$d/$$file $(distdir)/$$file 2> /dev/null \ + || cp -p $$d/$$file $(distdir)/$$file || :; \ + fi; \ + done + +DEPS_MAGIC := $(shell mkdir .deps > /dev/null 2>&1 || :) + +-include $(DEP_FILES) + +mostlyclean-depend: + +clean-depend: + +distclean-depend: + -rm -rf .deps + +maintainer-clean-depend: + +%.o: %.c + @echo '$(COMPILE) -c $<'; \ + $(COMPILE) -Wp,-MD,.deps/$(*F).pp -c $< + @-cp .deps/$(*F).pp .deps/$(*F).P; \ + tr ' ' '\012' < .deps/$(*F).pp \ + | sed -e 's/^\\$$//' -e '/^$$/ d' -e '/:$$/ d' -e 's/$$/ :/' \ + >> .deps/$(*F).P; \ + rm .deps/$(*F).pp + +%.lo: %.c + @echo '$(LTCOMPILE) -c $<'; \ + $(LTCOMPILE) -Wp,-MD,.deps/$(*F).pp -c $< + @-sed -e 's/^\([^:]*\)\.o[ ]*:/\1.lo \1.o :/' \ + < .deps/$(*F).pp > .deps/$(*F).P; \ + tr ' ' '\012' < .deps/$(*F).pp \ + | sed -e 's/^\\$$//' -e '/^$$/ d' -e '/:$$/ d' -e 's/$$/ :/' \ + >> .deps/$(*F).P; \ + rm -f .deps/$(*F).pp +info-am: +info: info-am +dvi-am: +dvi: dvi-am +check-am: all-am +check: check-am +installcheck-am: +installcheck: installcheck-am +install-exec-am: +install-exec: install-exec-am + +install-data-am: +install-data: install-data-am + +install-am: all-am + @$(MAKE) $(AM_MAKEFLAGS) install-exec-am install-data-am +install: install-am +uninstall-am: +uninstall: uninstall-am +all-am: Makefile +all-redirect: all-am +install-strip: + $(MAKE) $(AM_MAKEFLAGS) AM_INSTALL_PROGRAM_FLAGS=-s install +installdirs: + + +mostlyclean-generic: + +clean-generic: + -test -z "$(CLEANFILES)" || rm -f $(CLEANFILES) + +distclean-generic: + -rm -f Makefile $(CONFIG_CLEAN_FILES) + -rm -f config.cache config.log stamp-h stamp-h[0-9]* + +maintainer-clean-generic: +mostlyclean-am: mostlyclean-compile mostlyclean-tags mostlyclean-depend \ + mostlyclean-generic + +mostlyclean: mostlyclean-am + +clean-am: clean-compile clean-tags clean-depend clean-generic \ + mostlyclean-am + +clean: clean-am + +distclean-am: distclean-compile distclean-tags distclean-depend \ + distclean-generic clean-am + +distclean: distclean-am + +maintainer-clean-am: maintainer-clean-compile maintainer-clean-tags \ + maintainer-clean-depend maintainer-clean-generic \ + distclean-am + @echo "This command is intended for maintainers to use;" + @echo "it deletes files that may require special tools to rebuild." + +maintainer-clean: maintainer-clean-am + +.PHONY: mostlyclean-compile distclean-compile clean-compile \ +maintainer-clean-compile tags mostlyclean-tags distclean-tags \ +clean-tags maintainer-clean-tags distdir mostlyclean-depend \ +distclean-depend clean-depend maintainer-clean-depend info-am info \ +dvi-am dvi check check-am installcheck-am installcheck install-exec-am \ +install-exec install-data-am install-data install-am install \ +uninstall-am uninstall all-redirect all-am all installdirs \ +mostlyclean-generic distclean-generic clean-generic \ +maintainer-clean-generic clean mostlyclean distclean maintainer-clean + +.asm.o: + $(NASM) $(NASMFLAGS) $< -o $@ +.S.s: + $(CPP) $< > $@ +.F.f: + $(CPP) $< > $@ + +# Tell versions [3.59,3.63) of GNU make to not export all variables. +# Otherwise a system limit (for SysV at least) may be exceeded. +.NOEXPORT: diff --git a/src/contrib/README b/src/contrib/README new file mode 100644 index 0000000000..8afd4156c1 --- /dev/null +++ b/src/contrib/README @@ -0,0 +1,15 @@ + +This directory contains programs and scripts contributed by the +GROMACS developers and users. It is not really officially supported +or documented, so if there are problems your best bet is probably +either the mailing lists or to contact the author listed in the file. + +To add a program, you should edit Makefile.am. Have a look at +developer.gromacs.org if you are unfamiliar with automake/autoconf. +Unfortunately there is a bug in automake 1.4, so make sure you +use either version 1.3 or version 1.4-p1 from www.gnu.org. + +The EXTRA_PROGRAMS tag used here means they are not compiled and +installed for the default package configuration setup. + + The Gromacs Crew \ No newline at end of file diff --git a/src/contrib/addquote.c b/src/contrib/addquote.c index 24046e76c7..de64e30121 100644 --- a/src/contrib/addquote.c +++ b/src/contrib/addquote.c @@ -1,4 +1,39 @@ -#include +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * GROup of MAchos and Cynical Suckers + */ +static char *SRCID_addquote_c = "$Id$"; #include #include "strdb.h" #include "copyrite.h" diff --git a/src/contrib/anaf.c b/src/contrib/anaf.c index 741599e2cc..e20a72fa43 100644 --- a/src/contrib/anaf.c +++ b/src/contrib/anaf.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * GROup of MAchos and Cynical Suckers */ static char *SRCID_anaf_c = "$Id$"; - #include #include #include diff --git a/src/contrib/calcfdev.c b/src/contrib/calcfdev.c index acfea4f97f..134c6480b5 100644 --- a/src/contrib/calcfdev.c +++ b/src/contrib/calcfdev.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * GROup of MAchos and Cynical Suckers */ static char *SRCID_calcfdev_c = "$Id$"; - #include "typedefs.h" #include "main.h" #include "vec.h" diff --git a/src/contrib/copyrgt.c b/src/contrib/copyrgt.c index bb26121605..521513090f 100644 --- a/src/contrib/copyrgt.c +++ b/src/contrib/copyrgt.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please cite this reference in all publication using GROMACS: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * GROup of MAchos and Cynical Suckers */ static char *SRCID_copyrgt_c = "$Id$"; - #include "stdio.h" #include "stdlib.h" #include "macros.h" @@ -37,30 +43,35 @@ static char *SRCID_copyrgt_c = "$Id$"; static char *head1[]= { "", - " This source code is part of", + " This source code is part of", "", - " G R O M A C S", + " G R O M A C S", "", - "GROningen MAchine for Chemical Simulations", + " GROningen MAchine for Chemical Simulations", "" }; -static char *head2[] = { - "Please use these references in all publications using GROMACS:", - "GROMACS: A message-passing parallel molecular dynamics implementation", - "H.J.C. Berendsen, D. van der Spoel and R. van Drunen", - "Comp. Phys. Comm. 91, 43-56 (1995)", + +static char *head2[]= { + "This program is free software; you can redistribute it and/or", + "modify it under the terms of the GNU General Public License", + "as published by the Free Software Foundation; either version 2", + "of the License, or (at your option) any later version.", "", - "GROMACS 3.0: A package for molecular simulation and trajectory analysis", - "Erik Lindahl, Berk Hess and David van der Spoel", - "(in preparation, hey it's a beta version anyway)", + "If you want to redistribute modifications, please consider that", + "scientific software is very special. Version control is crucial -", + "bugs must be traceable. We will be happy to consider code for", + "inclusion in the official distribution, but derived work must not", + "be called official GROMACS. Details are found in the README & COPYING", + "files - if they are missing, get the official version at www.gromacs.org.", "", - "Also check out our WWW page:", - "http://md.chem.rug.nl/~gmx", - "or e-mail to:", - "gromacs@chem.rug.nl", + "To help us fund GROMACS development, we humbly ask that you cite", + "the papers on the package - you can find them in the top README file.", + "", + "Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org .", "", "And Hey:" }; + #define NH1 asize(head1) #define NCR asize(CopyrightText) #define NH2 asize(head2) @@ -76,7 +87,7 @@ void head(FILE *out, char *fn_, bool bH, bool bSRCID, fprintf(out,"%s $""Id""$\n",ccont); for(i=0; (istrlen("types")) && - (strcmp(cwd+strlen(cwd)-strlen("types"),"types") == NULL)) + (!strcmp(cwd+strlen(cwd)-strlen("types"),"types"))) bSRCID = FALSE; head(out,fn_,bH,bSRCID,"/*"," *"," */"); do { @@ -159,7 +170,9 @@ void cr_c(char *fn) void cr_other(char *fn) { - FILE *in,*out; + + /* Doesnt work right now, so its commented out */ + /* FILE *in,*out; char ofn[1024],line[MAXS+1],line2[MAXS+1],cwd[1024]; char *p,*fn_,*ptr; bool bH,bSRCID; @@ -175,14 +188,16 @@ void cr_other(char *fn) } in=ffopen(ofn,"r"); out=ffopen(fn,"w"); - + */ /* Skip over empty lines in the beginning only */ + /* do { if (fgets2(line,MAXS,in)) rtrim(line); } while ((strlen(line) == 0) && (!feof(in))); - + */ /* Now we are at end of file, or we have a non-empty string */ + /* if (strlen(line) != 0) { strcpy(line2,line); trim(line2); @@ -190,7 +205,8 @@ void cr_other(char *fn) fgets2(line,MAXS,in); strcpy(line2,line); trim(line2); - } + } + */ /* fn_=strdup(fn); p=strchr(fn_,'.'); @@ -213,7 +229,8 @@ void cr_other(char *fn) /*if ((strlen(cwd)>strlen("types")) && (strcmp(cwd+strlen(cwd)-strlen("types"),"types") == NULL)) */ - bSRCID = FALSE; + /* + bSRCID = FALSE; head(out,fn_,bH,bSRCID,";",";",";"); do { fprintf(out,"%s\n",line); @@ -221,6 +238,7 @@ void cr_other(char *fn) } fclose(in); fclose(out); + */ } void cr_tex(char *fn) diff --git a/src/contrib/do_gct.c b/src/contrib/do_gct.c index f245307b76..f671a3ef8c 100644 --- a/src/contrib/do_gct.c +++ b/src/contrib/do_gct.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_do_gct_c = "$Id$"; - #include "typedefs.h" #include "do_gct.h" #include "block_tx.h" diff --git a/src/contrib/do_gct.h b/src/contrib/do_gct.h index 0f60d39262..8fba939d0b 100644 --- a/src/contrib/do_gct.h +++ b/src/contrib/do_gct.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ #ifndef _do_gct_h #define _do_gct_h static char *SRCID_do_gct_h = "$Id$"; - #include #include "typedefs.h" #include "filenm.h" diff --git a/src/contrib/do_shift.c b/src/contrib/do_shift.c index 885b305b15..3ad8714c22 100644 --- a/src/contrib/do_shift.c +++ b/src/contrib/do_shift.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_do_shift_c = "$Id$"; - #include #include "errno.h" #include "sysstuff.h" diff --git a/src/contrib/dsspcore.c b/src/contrib/dsspcore.c index 2f8c8689ab..07e550a610 100644 --- a/src/contrib/dsspcore.c +++ b/src/contrib/dsspcore.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_dsspcore_c = "$Id$"; - /* Output from p2c, the Pascal-to-C translator */ /* From input file "dssp.p" */ diff --git a/src/contrib/g_anavel.c b/src/contrib/g_anavel.c index 864bf27865..1eb88530df 100644 --- a/src/contrib/g_anavel.c +++ b/src/contrib/g_anavel.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * GRowing Old MAkes el Chrono Sweat + * Gromacs Runs On Most of All Computer Systems */ -static char *SRCID_g_com_c = "$Id$"; - +static char *SRCID_g_anavel_c = "$Id$"; #include "sysstuff.h" #include "smalloc.h" #include "macros.h" diff --git a/src/contrib/gctio.c b/src/contrib/gctio.c index 4fc0a8bc69..889e7a550a 100644 --- a/src/contrib/gctio.c +++ b/src/contrib/gctio.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_gctio_c = "$Id$"; - #include "typedefs.h" #include "do_gct.h" #include "block_tx.h" diff --git a/src/contrib/glaasje.c b/src/contrib/glaasje.c index 7ab40f05ba..e8d858a3b6 100644 --- a/src/contrib/glaasje.c +++ b/src/contrib/glaasje.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_glaasje_c = "$Id$"; - #include #include #include "typedefs.h" diff --git a/src/contrib/glaasje.h b/src/contrib/glaasje.h index 34995eae9b..79d8131f23 100644 --- a/src/contrib/glaasje.h +++ b/src/contrib/glaasje.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_glaasje_h = "$Id$"; - extern void do_glas(FILE *log,int start,int homenr,rvec x[],rvec f[], t_forcerec *fr,t_mdatoms *md,int atnr,t_inputrec *ir, real ener[]); diff --git a/src/contrib/glasmd.c b/src/contrib/glasmd.c index c8188f5472..54d21642fd 100644 --- a/src/contrib/glasmd.c +++ b/src/contrib/glasmd.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_glasmd_c = "$Id$"; - #include #include #include diff --git a/src/contrib/hexamer.c b/src/contrib/hexamer.c index 8d02c9c4d6..8ed1b20645 100644 --- a/src/contrib/hexamer.c +++ b/src/contrib/hexamer.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ -static char *SRCID_mkyaw_c = "$Id$"; - +static char *SRCID_hexamer_c = "$Id$"; #include #include #include diff --git a/src/contrib/hrefify.c b/src/contrib/hrefify.c index 2cc5bf50e3..64003b875f 100644 --- a/src/contrib/hrefify.c +++ b/src/contrib/hrefify.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_hrefify_c = "$Id$"; - #include #include #include "smalloc.h" diff --git a/src/contrib/init_sh.c b/src/contrib/init_sh.c index 140b4aa4a3..aed8d25584 100644 --- a/src/contrib/init_sh.c +++ b/src/contrib/init_sh.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_init_sh_c = "$Id$"; - #include "init_sh.h" #include "smalloc.h" #include "assert.h" diff --git a/src/contrib/init_sh.h b/src/contrib/init_sh.h index f222c583dd..3cbfa99953 100644 --- a/src/contrib/init_sh.h +++ b/src/contrib/init_sh.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ #ifndef _init_sh_h #define _init_sh_h static char *SRCID_init_sh_h = "$Id$"; - #include #include "typedefs.h" diff --git a/src/contrib/intest.f b/src/contrib/intest.f index f692caebb7..4c637b1a32 100644 --- a/src/contrib/intest.f +++ b/src/contrib/intest.f @@ -1,29 +1,35 @@ C -C @(#) in_loopf.f 1.17 18 Aug 1996 +C This source code is part of C -C This source-code is part of +C G R O M A C S C -C G R O M A C S +C GROningen MAchine for Chemical Simulations C -C GROningen MAchine for Chemical Simulations +C VERSION 3.0 C -C Copyright (c) 1990-1995, -C BIOSON Research Institute, Dept. of Biophysical Chemistry, -C University of Groningen, The Netherlands +C Copyright (c) 1991-2001 +C BIOSON Research Institute, Dept. of Biophysical Chemistry +C University of Groningen, The Netherlands C -C Please refer to: -C GROMACS: A Message Passing Parallel Molecular Dynamics Implementation -C H.J.C. Berendsen, D. van der Spoel and R. van Drunen -C Comp. Phys. Comm. 1995 (in press) +C This program is free software; you can redistribute it and/or +C modify it under the terms of the GNU General Public License +C as published by the Free Software Foundation; either version 2 +C of the License, or (at your option) any later version. C -C Also check out our WWW page: -C http://rugmd0.chem.rug.nl/~gmx/gmx.cgi -C or e-mail to: -C gromacs@chem.rug.nl +C If you want to redistribute modifications, please consider that +C scientific software is very special. Version control is crucial - +C bugs must be traceable. We will be happy to consider code for +C inclusion in the official distribution, but derived work must not +C be called official GROMACS. Details are found in the README & COPYING +C files - if they are missing, get the official version at www.gromacs.org. C -C And Hey: -C Gyas ROwers Mature At Cryogenic Speed -C +C To help us fund GROMACS development, we humbly ask that you cite +C the papers on the package - you can find them in the top README file. +C +C Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . +C +C And Hey: +C GROup of MAchos and Cynical Suckers C C This code is meant to be called from C routines. diff --git a/src/contrib/ion_data.h b/src/contrib/ion_data.h index bc3b42c6d2..67e6a7e1f7 100644 --- a/src/contrib/ion_data.h +++ b/src/contrib/ion_data.h @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_ion_data_h = "$Id$"; - typedef struct { real photo,coh,incoh,incoh_abs; diff --git a/src/contrib/ionize.c b/src/contrib/ionize.c index 258770d5fc..7e67b604a6 100644 --- a/src/contrib/ionize.c +++ b/src/contrib/ionize.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_ionize_c = "$Id$"; - #include #include "smalloc.h" #include "typedefs.h" diff --git a/src/contrib/ionize.h b/src/contrib/ionize.h index a12e0f5b5a..1d24307705 100644 --- a/src/contrib/ionize.h +++ b/src/contrib/ionize.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ #ifndef _ionize_h #define _ionize_h static char *SRCID_ionize_h = "$Id$"; - #include #include "typedefs.h" diff --git a/src/contrib/mk6_n.c b/src/contrib/mk6_n.c index 420620ad36..d571f53943 100644 --- a/src/contrib/mk6_n.c +++ b/src/contrib/mk6_n.c @@ -1,4 +1,39 @@ -#include +/* + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * Gromacs Runs On Most of All Computer Systems + */ +static char *SRCID_mk6_n_c = "$Id$"; #include #include diff --git a/src/mkcompl b/src/contrib/mkcompl similarity index 100% rename from src/mkcompl rename to src/contrib/mkcompl diff --git a/src/mkhtml b/src/contrib/mkhtml similarity index 100% rename from src/mkhtml rename to src/contrib/mkhtml diff --git a/src/contrib/mkice.c b/src/contrib/mkice.c index 9b292c6e21..fba829fbe7 100644 --- a/src/contrib/mkice.c +++ b/src/contrib/mkice.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_mkice_c = "$Id$"; - #include #include #include "typedefs.h" diff --git a/src/mknroff b/src/contrib/mknroff similarity index 100% rename from src/mknroff rename to src/contrib/mknroff diff --git a/src/contrib/mkyaw.c b/src/contrib/mkyaw.c index 67e47175b9..44c56eee59 100644 --- a/src/contrib/mkyaw.c +++ b/src/contrib/mkyaw.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_mkyaw_c = "$Id$"; - #include #include #include diff --git a/src/contrib/my_dssp.c b/src/contrib/my_dssp.c index 3edd5379a1..acde67a7ff 100644 --- a/src/contrib/my_dssp.c +++ b/src/contrib/my_dssp.c @@ -1,32 +1,38 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_my_dssp_c = "$Id$"; - #define MY_DSSP #include "../tools/do_dssp.c" diff --git a/src/contrib/optwat.c b/src/contrib/optwat.c index 6165899b97..64757e98bb 100644 --- a/src/contrib/optwat.c +++ b/src/contrib/optwat.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_optwat_c = "$Id$"; - #include "typedefs.h" #include "smalloc.h" #include "vec.h" diff --git a/src/contrib/prfn.c b/src/contrib/prfn.c index 8fdea11b04..e11a106da8 100644 --- a/src/contrib/prfn.c +++ b/src/contrib/prfn.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_prfn_c = "$Id$"; - #include "filenm.h" #include "futil.h" #include "wman.h" diff --git a/src/contrib/relax_sh.c b/src/contrib/relax_sh.c index dfa2cdb080..e1464e9ed1 100644 --- a/src/contrib/relax_sh.c +++ b/src/contrib/relax_sh.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ static char *SRCID_relax_sh_c = "$Id$"; - #include #include "assert.h" #include "typedefs.h" diff --git a/src/contrib/sigeps.c b/src/contrib/sigeps.c index 72eba4074b..4e885ac38b 100644 --- a/src/contrib/sigeps.c +++ b/src/contrib/sigeps.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Gromacs Runs On Most of All Computer Systems */ -static char *SRCID_mkice_c = "$Id$"; - +static char *SRCID_sigeps_c = "$Id$"; #include #include #include "typedefs.h" diff --git a/src/contrib/xmdrun.c b/src/contrib/xmdrun.c index c9ff1378e1..1e5ac92738 100644 --- a/src/contrib/xmdrun.c +++ b/src/contrib/xmdrun.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Glycine aRginine prOline Methionine Alanine Cystine Serine */ static char *SRCID_xmdrun_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/Xstuff.h b/src/ngmx/Xstuff.h index 5c774a7f11..22fe955d5f 100644 --- a/src/ngmx/Xstuff.h +++ b/src/ngmx/Xstuff.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _Xstuff_h #define _Xstuff_h static char *SRCID_Xstuff_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) Xstuff.h 1.16 11/23/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/alert.bm b/src/ngmx/alert.bm index ec6a90c188..9f3d5cc549 100644 --- a/src/ngmx/alert.bm +++ b/src/ngmx/alert.bm @@ -1,10 +1,37 @@ /* - * @(#) alert.bm 1.4 9/29/92 - * - * - * GROMACS - Groningen Machine for Chemical Simulation - * Copyright (c) 1990, 1991, 1992, Groningen University - * + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * GROup of MAchos and Cynical Suckers */ #ifndef _alert_bm diff --git a/src/ngmx/buttons.c b/src/ngmx/buttons.c index 1cc41b229d..1677ec53d4 100644 --- a/src/ngmx/buttons.c +++ b/src/ngmx/buttons.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_buttons_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/buttons.h b/src/ngmx/buttons.h index 73a32bd5fc..5706cee233 100644 --- a/src/ngmx/buttons.h +++ b/src/ngmx/buttons.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ #ifndef _buttons_h #define _buttons_h static char *SRCID_buttons_h = "$Id$"; - #include enum { diff --git a/src/ngmx/dialogs.c b/src/ngmx/dialogs.c index b510584e68..39e3a021ea 100644 --- a/src/ngmx/dialogs.c +++ b/src/ngmx/dialogs.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_dialogs_c = "$Id$"; - #include "smalloc.h" #include "sysstuff.h" #include "macros.h" diff --git a/src/ngmx/dialogs.h b/src/ngmx/dialogs.h index d37e566906..7a34fc5008 100644 --- a/src/ngmx/dialogs.h +++ b/src/ngmx/dialogs.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _dialogs_h #define _dialogs_h static char *SRCID_dialogs_h = "$Id$"; - #include "xdlg.h" #include "pulldown.h" #include "manager.h" diff --git a/src/ngmx/dlg.c b/src/ngmx/dlg.c index f024fe447b..2f53d56fdb 100644 --- a/src/ngmx/dlg.c +++ b/src/ngmx/dlg.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_dlg_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/ff.bm b/src/ngmx/ff.bm index 7678ed8286..9989ac3850 100644 --- a/src/ngmx/ff.bm +++ b/src/ngmx/ff.bm @@ -1,28 +1,37 @@ /* - * @(#) ff.bm 1.13 9/30/97 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Copyright (c) 1990-1995, - * BIOSON Research Institute, Dept. of Biophysical Chemistry, + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) - * - * Also check out our WWW page: - * http://rugmd0.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl - * + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * * And Hey: - * Gromacs Runs On Most of All Computer Systems + * GROup of MAchos and Cynical Suckers */ #ifndef _ff_bm diff --git a/src/ngmx/fgrid.c b/src/ngmx/fgrid.c index e4d01b6da1..5acf43f915 100644 --- a/src/ngmx/fgrid.c +++ b/src/ngmx/fgrid.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_fgrid_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/fgrid.h b/src/ngmx/fgrid.h index 1c1b6dda17..ffb572e497 100644 --- a/src/ngmx/fgrid.h +++ b/src/ngmx/fgrid.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _fgrid_h #define _fgrid_h static char *SRCID_fgrid_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) fgrid.h 1.3 9/29/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/filter.c b/src/ngmx/filter.c index 81b9dd33c3..a7659fc504 100644 --- a/src/ngmx/filter.c +++ b/src/ngmx/filter.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_filter_c = "$Id$"; - #include #include "sysstuff.h" #include "futil.h" diff --git a/src/ngmx/gmxlogo.c b/src/ngmx/gmxlogo.c index c0e3d342c1..661bd7e634 100644 --- a/src/ngmx/gmxlogo.c +++ b/src/ngmx/gmxlogo.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_gmxlogo_c = "$Id$"; - #include "logo.h" void main(int argc, char *argv[]) diff --git a/src/ngmx/gromacs.bm b/src/ngmx/gromacs.bm index 95c798fe3d..f680b1c299 100644 --- a/src/ngmx/gromacs.bm +++ b/src/ngmx/gromacs.bm @@ -1,12 +1,40 @@ /* - * @(#) gromacs.bm 1.9 9/29/92 - * - * - * GROMACS - Groningen Machine for Chemical Simulation - * Copyright (c) 1990, 1991, 1992, Groningen University - * + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * GROup of MAchos and Cynical Suckers */ + #ifndef _gromacs_bm #define _gromacs_bm diff --git a/src/ngmx/highway.c b/src/ngmx/highway.c index 0feffee326..70a08237e0 100644 --- a/src/ngmx/highway.c +++ b/src/ngmx/highway.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_highway_c = "$Id$"; - #include #include #include "futil.h" diff --git a/src/ngmx/info.bm b/src/ngmx/info.bm index d5859e6733..bfbc878146 100644 --- a/src/ngmx/info.bm +++ b/src/ngmx/info.bm @@ -1,10 +1,37 @@ /* - * @(#) info.bm 1.4 9/29/92 - * - * - * GROMACS - Groningen Machine for Chemical Simulation - * Copyright (c) 1990, 1991, 1992, Groningen University - * + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * GROup of MAchos and Cynical Suckers */ #ifndef _info_bm diff --git a/src/ngmx/logo.c b/src/ngmx/logo.c index fa60d6cddd..db1c44f4b1 100644 --- a/src/ngmx/logo.c +++ b/src/ngmx/logo.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_logo_c = "$Id$"; - #include "sysstuff.h" #include "Xstuff.h" #include "xutil.h" diff --git a/src/ngmx/logo.h b/src/ngmx/logo.h index 862619161a..177910f9cf 100644 --- a/src/ngmx/logo.h +++ b/src/ngmx/logo.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _logo_h #define _logo_h static char *SRCID_logo_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) logo.h 1.15 9/30/97" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/manager.c b/src/ngmx/manager.c index f49a874530..bf3d7d991a 100644 --- a/src/ngmx/manager.c +++ b/src/ngmx/manager.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_manager_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/manager.h b/src/ngmx/manager.h index ca13d6bc3f..2d275ea995 100644 --- a/src/ngmx/manager.h +++ b/src/ngmx/manager.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ #ifndef _manager_h #define _manager_h static char *SRCID_manager_h = "$Id$"; - #include #include "typedefs.h" #include "x11.h" diff --git a/src/ngmx/molps.c b/src/ngmx/molps.c index 60ed8f9a94..5f59efc68b 100644 --- a/src/ngmx/molps.c +++ b/src/ngmx/molps.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_molps_c = "$Id$"; - #include #include "sysstuff.h" #include "string.h" diff --git a/src/ngmx/molps.h b/src/ngmx/molps.h index a95b5bc5b8..66c2fed1fb 100644 --- a/src/ngmx/molps.h +++ b/src/ngmx/molps.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _molps_h #define _molps_h static char *SRCID_molps_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) molps.h 1.10 9/30/97" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/nener.c b/src/ngmx/nener.c index c7d9cc8591..6e8b4d3566 100644 --- a/src/ngmx/nener.c +++ b/src/ngmx/nener.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_nener_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/nener.h b/src/ngmx/nener.h index 07d04b36d3..16c6f5e356 100644 --- a/src/ngmx/nener.h +++ b/src/ngmx/nener.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _nener_h #define _nener_h static char *SRCID_nener_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) nener.h 1.19 9/30/97" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/ngmx.c b/src/ngmx/ngmx.c index 2aea0bca70..704869ba67 100644 --- a/src/ngmx/ngmx.c +++ b/src/ngmx/ngmx.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_ngmx_c = "$Id$"; - #include #include diff --git a/src/ngmx/nleg.c b/src/ngmx/nleg.c index fdd3357ac6..5926b68680 100644 --- a/src/ngmx/nleg.c +++ b/src/ngmx/nleg.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_nleg_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/nleg.h b/src/ngmx/nleg.h index ab8c397501..50115eaba1 100644 --- a/src/ngmx/nleg.h +++ b/src/ngmx/nleg.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _nleg_h #define _nleg_h static char *SRCID_nleg_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) nleg.h 1.19 9/30/97" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/nload.c b/src/ngmx/nload.c index 78699e4bb9..37381b0cb4 100644 --- a/src/ngmx/nload.c +++ b/src/ngmx/nload.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_nload_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/nload.h b/src/ngmx/nload.h index 388b664881..d436404f46 100644 --- a/src/ngmx/nload.h +++ b/src/ngmx/nload.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ #ifndef _nload_h #define _nload_h static char *SRCID_nload_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) nload.h 1.19 9/30/97" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/nmol.c b/src/ngmx/nmol.c index 79a4a54f90..1d17169d81 100644 --- a/src/ngmx/nmol.c +++ b/src/ngmx/nmol.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_nmol_c = "$Id$"; - #include #include "sysstuff.h" #include "string.h" diff --git a/src/ngmx/nmol.h b/src/ngmx/nmol.h index 8f5610c706..c7819be28f 100644 --- a/src/ngmx/nmol.h +++ b/src/ngmx/nmol.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _nmol_h #define _nmol_h static char *SRCID_nmol_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) nmol.h 1.1 11/19/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/play.bm b/src/ngmx/play.bm index 8518f89d69..81191b22b0 100644 --- a/src/ngmx/play.bm +++ b/src/ngmx/play.bm @@ -1,28 +1,37 @@ /* - * @(#) play.bm 1.13 9/30/97 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Copyright (c) 1990-1995, - * BIOSON Research Institute, Dept. of Biophysical Chemistry, + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) - * - * Also check out our WWW page: - * http://rugmd0.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl - * + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * GROup of MAchos and Cynical Suckers */ #ifndef _play_bm diff --git a/src/ngmx/popup.c b/src/ngmx/popup.c index 10c1bb8dd6..4df1050ac7 100644 --- a/src/ngmx/popup.c +++ b/src/ngmx/popup.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_popup_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/popup.h b/src/ngmx/popup.h index 04c94aa61d..789d1ef8ab 100644 --- a/src/ngmx/popup.h +++ b/src/ngmx/popup.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _popup_h #define _popup_h static char *SRCID_popup_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) popup.h 1.3 11/23/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/pulldown.c b/src/ngmx/pulldown.c index 44d6c2b68d..ae5d5fc30d 100644 --- a/src/ngmx/pulldown.c +++ b/src/ngmx/pulldown.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_pulldown_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/pulldown.h b/src/ngmx/pulldown.h index 3b219c07c7..5f67c320e1 100644 --- a/src/ngmx/pulldown.h +++ b/src/ngmx/pulldown.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ #ifndef _pulldown_h #define _pulldown_h static char *SRCID_pulldown_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) pulldown.h 1.4 11/23/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/rama.bm b/src/ngmx/rama.bm index 5440baa022..148b7e4570 100644 --- a/src/ngmx/rama.bm +++ b/src/ngmx/rama.bm @@ -1,29 +1,39 @@ /* - * @(#) rama.bm 1.11 9/30/97 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Copyright (c) 1990-1995, - * BIOSON Research Institute, Dept. of Biophysical Chemistry, + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) - * - * Also check out our WWW page: - * http://rugmd0.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl - * + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * GROup of MAchos and Cynical Suckers */ + #define rama_width 48 #define rama_height 48 static unsigned char rama_bits[] = { diff --git a/src/ngmx/rewind.bm b/src/ngmx/rewind.bm index 242ff6deb6..aef848ede6 100644 --- a/src/ngmx/rewind.bm +++ b/src/ngmx/rewind.bm @@ -1,30 +1,38 @@ /* - * @(#) rewind.bm 1.13 9/30/97 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Copyright (c) 1990-1995, - * BIOSON Research Institute, Dept. of Biophysical Chemistry, + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) - * - * Also check out our WWW page: - * http://rugmd0.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl - * + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * GROup of MAchos and Cynical Suckers */ - #ifndef _rewind_bm #define _rewind_bm diff --git a/src/ngmx/scrollw.c b/src/ngmx/scrollw.c index 46824f53a6..b6c88f6d6a 100644 --- a/src/ngmx/scrollw.c +++ b/src/ngmx/scrollw.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_scrollw_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/showcol.c b/src/ngmx/showcol.c index 6c313cdd8c..2393b60664 100644 --- a/src/ngmx/showcol.c +++ b/src/ngmx/showcol.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_showcol_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/stop.bm b/src/ngmx/stop.bm index f3706881ba..91872a75a0 100644 --- a/src/ngmx/stop.bm +++ b/src/ngmx/stop.bm @@ -1,10 +1,37 @@ /* - * @(#) stop.bm 1.4 9/29/92 - * - * - * GROMACS - Groningen Machine for Chemical Simulation - * Copyright (c) 1990, 1991, 1992, Groningen University - * + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry + * University of Groningen, The Netherlands + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * + * And Hey: + * GROup of MAchos and Cynical Suckers */ #ifndef _stop_bm diff --git a/src/ngmx/stop_ani.bm b/src/ngmx/stop_ani.bm index 965fed861e..011249231d 100644 --- a/src/ngmx/stop_ani.bm +++ b/src/ngmx/stop_ani.bm @@ -1,28 +1,37 @@ /* - * @(#) stop_ani.bm 1.13 9/30/97 - * - * This source code is part of - * - * G R O M A C S - * - * GROningen MAchine for Chemical Simulations - * - * Copyright (c) 1990-1995, - * BIOSON Research Institute, Dept. of Biophysical Chemistry, + * $Id$ + * + * This source code is part of + * + * G R O M A C S + * + * GROningen MAchine for Chemical Simulations + * + * VERSION 3.0 + * + * Copyright (c) 1991-2001 + * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands - * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) - * - * Also check out our WWW page: - * http://rugmd0.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl - * + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . + * * And Hey: - * Gyas ROwers Mature At Cryogenic Speed + * GROup of MAchos and Cynical Suckers */ #ifndef _stop_ani_bm diff --git a/src/ngmx/vbox.c b/src/ngmx/vbox.c index 83bac7c3b9..789bd55a80 100644 --- a/src/ngmx/vbox.c +++ b/src/ngmx/vbox.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_vbox_c = "$Id$"; - #include "x11.h" #include "nmol.h" diff --git a/src/ngmx/x11.c b/src/ngmx/x11.c index f620d9b9a5..73065974d6 100644 --- a/src/ngmx/x11.c +++ b/src/ngmx/x11.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_x11_c = "$Id$"; - #include #include #include "sysstuff.h" diff --git a/src/ngmx/x11.h b/src/ngmx/x11.h index 2ee7f97506..97c64e091b 100644 --- a/src/ngmx/x11.h +++ b/src/ngmx/x11.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _x11_h #define _x11_h static char *SRCID_x11_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) x11.h 1.6 12/16/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/xdlg.c b/src/ngmx/xdlg.c index a46031075e..f65cf1a3d5 100644 --- a/src/ngmx/xdlg.c +++ b/src/ngmx/xdlg.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_xdlg_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/xdlg.h b/src/ngmx/xdlg.h index 90eb590a22..fb4d30125c 100644 --- a/src/ngmx/xdlg.h +++ b/src/ngmx/xdlg.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _xdlg_h #define _xdlg_h static char *SRCID_xdlg_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) xdlg.h 1.3 9/29/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/xdlghi.c b/src/ngmx/xdlghi.c index e0ea11f387..071883b891 100644 --- a/src/ngmx/xdlghi.c +++ b/src/ngmx/xdlghi.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_xdlghi_c = "$Id$"; - #include #include diff --git a/src/ngmx/xdlghi.h b/src/ngmx/xdlghi.h index 910179ffaa..cb9d6044b0 100644 --- a/src/ngmx/xdlghi.h +++ b/src/ngmx/xdlghi.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ #ifndef _xdlghi_h #define _xdlghi_h static char *SRCID_xdlghi_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) xdlghi.h 1.2 9/29/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/xdlgitem.c b/src/ngmx/xdlgitem.c index 46dbe856d5..f468febbc1 100644 --- a/src/ngmx/xdlgitem.c +++ b/src/ngmx/xdlgitem.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_xdlgitem_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/xdlgitem.h b/src/ngmx/xdlgitem.h index 786669838b..2f76d65893 100644 --- a/src/ngmx/xdlgitem.h +++ b/src/ngmx/xdlgitem.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _xdlgitem_h #define _xdlgitem_h static char *SRCID_xdlgitem_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) xdlgitem.h 1.4 9/29/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/xmb.c b/src/ngmx/xmb.c index d229fe323f..358d988a6e 100644 --- a/src/ngmx/xmb.c +++ b/src/ngmx/xmb.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_xmb_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/xmb.h b/src/ngmx/xmb.h index 04625ddedc..261c5670e3 100644 --- a/src/ngmx/xmb.h +++ b/src/ngmx/xmb.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ #ifndef _xmb_h #define _xmb_h static char *SRCID_xmb_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) xmb.h 1.3 9/29/92" #endif /* HAVE_IDENT */ diff --git a/src/ngmx/xrama.c b/src/ngmx/xrama.c index 6a6127aa1c..6519744afd 100644 --- a/src/ngmx/xrama.c +++ b/src/ngmx/xrama.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_xrama_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/xstat.c b/src/ngmx/xstat.c index e945833042..552f2faad9 100644 --- a/src/ngmx/xstat.c +++ b/src/ngmx/xstat.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ static char *SRCID_xstat_c = "$Id$"; - #include "sysstuff.h" #include "smalloc.h" #include "x11.h" diff --git a/src/ngmx/xutil.c b/src/ngmx/xutil.c index 35522720f6..a3d3ed3902 100644 --- a/src/ngmx/xutil.c +++ b/src/ngmx/xutil.c @@ -1,33 +1,39 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Giving Russians Opium May Alter Current Situation */ static char *SRCID_xutil_c = "$Id$"; - #include #include #include diff --git a/src/ngmx/xutil.h b/src/ngmx/xutil.h index 77631263bb..949d069228 100644 --- a/src/ngmx/xutil.h +++ b/src/ngmx/xutil.h @@ -1,37 +1,43 @@ /* * $Id$ * - * This source code is part of + * This source code is part of * - * G R O M A C S + * G R O M A C S * - * GROningen MAchine for Chemical Simulations + * GROningen MAchine for Chemical Simulations * - * VERSION 2.0 + * VERSION 3.0 * - * Copyright (c) 1991-1999 + * Copyright (c) 1991-2001 * BIOSON Research Institute, Dept. of Biophysical Chemistry * University of Groningen, The Netherlands * - * Please refer to: - * GROMACS: A message-passing parallel molecular dynamics implementation - * H.J.C. Berendsen, D. van der Spoel and R. van Drunen - * Comp. Phys. Comm. 91, 43-56 (1995) + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. * - * Also check out our WWW page: - * http://md.chem.rug.nl/~gmx - * or e-mail to: - * gromacs@chem.rug.nl + * If you want to redistribute modifications, please consider that + * scientific software is very special. Version control is crucial - + * bugs must be traceable. We will be happy to consider code for + * inclusion in the official distribution, but derived work must not + * be called official GROMACS. Details are found in the README & COPYING + * files - if they are missing, get the official version at www.gromacs.org. + * + * To help us fund GROMACS development, we humbly ask that you cite + * the papers on the package - you can find them in the top README file. + * + * Do check out http://www.gromacs.org , or mail us at gromacs@gromacs.org . * * And Hey: - * Great Red Oystrich Makes All Chemists Sane + * Good gRace! Old Maple Actually Chews Slate */ #ifndef _xutil_h #define _xutil_h static char *SRCID_xutil_h = "$Id$"; - #ifdef HAVE_IDENT #ident "@(#) xutil.h 1.5 11/11/92" #endif /* HAVE_IDENT */ -- 2.22.0