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alexxy/gromacs.git
2010-08-03
Szilard Pall
Merge branch 'release-4-5-patches'
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2010-08-03
Szilard Pall
minor addition to previus gcc 4.1.x disabling commit
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2010-08-03
Szilard Pall
Merge branch 'release-4-5-patches'
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2010-08-03
Szilard Pall
Removed gcc 4.1.x check as bug 431 turned out to be...
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2010-08-03
David van der...
Merge branch 'release-4-5-patches'
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2010-08-03
David van der...
Fixed bug 487 according to provided patch.
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2010-08-03
David van der...
Merge branch 'release-4-5-patches'
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2010-08-03
David van der...
Fixed documentation text according to bugzilla 486
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2010-08-02
Christoph Junghans
Merge remote branch 'origin/release-4-5-patches'
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2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-02
Erik Lindahl
Modified TER record writing behaviour (only add after...
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2010-08-02
Christoph Junghans
make GMXRC.{bash,csh,zsh} export PKG_CONFIG_PATH
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2010-08-02
Christoph Junghans
fixed linking of inputrec.h
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2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-02
Erik Lindahl
Fixed build issue for template program in double precision
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2010-08-02
Berk Hess
corrected LJ on H of charmm tips3p
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2010-08-02
Sander Pronk
Added an uninstall target to CMake builds.
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2010-08-02
Christoph Junghans
updated ignore files
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2010-08-02
Rossen Apostolov
New beta release.
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2010-08-02
Rossen Apostolov
New beta release.
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2010-08-02
Sander Pronk
Added missing .h file.
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2010-08-02
Pär Bjelkmar
Merge branch 'release-4-5-patches'
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2010-08-02
Pär Bjelkmar
Added CHARMM references
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2010-08-02
Erik Lindahl
Removed unused variable that caused a warning
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2010-08-02
Erik Lindahl
Temporarily disabled double precision SSE2 generalized...
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2010-08-02
Erik Lindahl
Fixed error in (unused) SSE2 double precision inline...
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2010-08-02
Sander Pronk
Fixed shared library build by removing references to...
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2010-08-01
Roland Schulz
include sys/types before regex for broken regex.h
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2010-08-01
Erik Lindahl
Modified index processing to reinstate residue-splittin...
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2010-08-01
Erik Lindahl
Added ion classes to residuetypes.dat
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2010-08-01
David van der...
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-01
David van der...
Moved pdb2top.h from src/kernel to include to allow...
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2010-08-01
Berk
added nstpcouple-nlist change with twin-range in grompp...
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2010-08-01
Roland Schulz
include sys/types before regex for broken regex.h
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2010-08-01
Roland Schulz
fix spelling etc epc
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2010-08-01
Roland Schulz
added missing initialization
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2010-07-31
David van der...
Renamed typename to my_typename in index.c since typena...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Replaced non-thread-safe calls to ctime() with our...
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2010-07-30
Berk
minor update for nst change
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2010-07-30
Berk
added mdp parameters nsttcouple and nstpcouple
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2010-07-30
Christoph Junghans
cmake: make GSL fully optional
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2010-07-30
Christoph Junghans
merged parts of the debian patch set
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2010-07-30
Christoph Junghans
removed old motif stuff from statutil.h
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2010-07-30
Christoph Junghans
remove some deprecated headers, which are not used...
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2010-07-30
Sander Pronk
More onerous locking of open_files in gmx_fio.
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2010-07-30
Erik Lindahl
Added portable gmx_ctime_r() to enable replacement...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Replaced localtime with localtime_r() on unix and local...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Replaced readdir() with readdir_r() to avoid future...
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2010-07-30
Berk
copied VV initial T fix from md.c to gmx_membed.c ...
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2010-07-30
Berk
print_date_and_time now only calls ctime when fplog...
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2010-07-30
Berk
all em integrators now set the runtime
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Erik Lindahl
Ported x86-64 single precision SSE2 all-vs-all patch...
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2010-07-30
Sander Pronk
Fixed ffclose bug in futil.c, gmx_fio_close now checks...
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2010-07-30
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Sander Pronk
Fixed a potential mutex problem in gmx_fio.c
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2010-07-30
Berk
made integrator nm work in parallel
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2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
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2010-07-30
Berk
corrected pdb2gmx watermodel None counter print
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2010-07-30
Christoph Junghans
switched to the right gsl define (HAVE_LIBGSL) in cmake...
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2010-07-30
Christoph Junghans
added right threads flag in cmake pkg-config files
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2010-07-29
Berk
updated the #define names for amber99sb and amber99sb...
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2010-07-29
Berk
updated the charmm ff comments for the new water model...
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2010-07-29
Berk
updated the charmm ff comments for the new water model...
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2010-07-29
Rossen Apostolov
Added *.pc.cmakein files for distribution
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2010-07-29
Rossen Apostolov
Removed OpenMM interface from autoconf, use CMake inste...
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2010-07-29
Christoph Junghans
cmake creates pc files now
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2010-07-29
Christoph Junghans
tell aclocal about config dir
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2010-07-29
Erik Lindahl
Commented out calls to double prec. SSE2 all-vs-all...
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2010-07-29
Erik Lindahl
Worked around cross-inclusion problem between grompp...
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2010-07-29
Erik Lindahl
Removed deprecated nsb.h header
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2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-29
Erik Lindahl
Changed index group analysis to only create water_and_i...
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2010-07-29
Berk
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-29
Rossen Apostolov
Fixed a typo in previous Makefile.am commit
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2010-07-29
Berk
increased print space for index group names
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2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-29
Erik Lindahl
Added residuedefinitions for water, and introduced...
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2010-07-29
Rossen Apostolov
Added for distribution some extra files needed by CMake.
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2010-07-29
Erik Lindahl
Reverted incorrect Makefile edit earlier today
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2010-07-29
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-29
Rossen Apostolov
Fixed typos in previous commit.
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2010-07-29
Berk
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-29
Berk
corrected the Amber (unused) #define
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2010-07-29
Berk
put ion molecule definitions for GROMOS and OPLS back...
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2010-07-29
Rossen Apostolov
Added missing assembly files in nonbonded/nb_kernel_x86...
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2010-07-29
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-29
Erik Lindahl
Improved chain separation detection for pdb2gmx, and...
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2010-07-29
Berk
removed a few type casts from enxio.c
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2010-07-29
Berk
updated genion for the new ion name convention
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2010-07-29
Berk
ion molecule, residue and atom names are now capitals...
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2010-07-29
Berk Hess
completed partial rename of CYN to CYS for Amber
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2010-07-29
Berk
changed FE couple moltype strcmp to strcasecmp
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2010-07-29
Berk
replaced all size_t in t_enxblock by int to avoid casts
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2010-07-29
Sander Pronk
.edr block gmxdump fixes.
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2010-07-29
Berk
added 12-6 wall potential
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2010-07-29
Berk
minor format fix for calcgrid.c
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