biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Mark advanced GMX_BINARY_SUFFIX and GMX_LIBS_SUFFIX when GMX_DEFAULT_SUFFIX=ON
[alexxy/gromacs.git]
/
src
/
2010-09-06
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-09-06
Sander Pronk
Fixed reading of older .xvg file formats in g_bar
tree
|
commitdiff
2010-09-06
Sander Pronk
Fixed misinterpretation of -b and -e in g_bar.
tree
|
commitdiff
2010-09-03
Sander Pronk
Added missing windows thread files to distribution...
tree
|
commitdiff
2010-09-02
Rossen Apostolov
Added for distribution missing CMake specific files.
tree
|
commitdiff
2010-09-01
Erik Lindahl
Removed lots of unnecessary messages to stdout from...
tree
|
commitdiff
2010-09-01
Rossen Apostolov
Added g_rmsdist and g_rotmat to the CMake build system
tree
|
commitdiff
2010-09-01
Carsten Kutzner
Fixed make_edi when no fitting was done in g_covar
tree
|
commitdiff
2010-09-01
Szilard Pall
Updated list of supported GPUs
tree
|
commitdiff
2010-09-01
Sander Pronk
Final thread_mpi fixes (ppc works, no deadlocks on...
tree
|
commitdiff
2010-09-01
Mark Abraham
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
tree
|
commitdiff
2010-09-01
Sander Pronk
Code reorg in thread_mpi
tree
|
commitdiff
2010-09-01
hess
cleaner implementation of close_nblist with comments...
tree
|
commitdiff
2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
tree
|
commitdiff
2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-09-01
Sander Pronk
Code reorg in thread_mpi
tree
|
commitdiff
2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-31
Erik Lindahl
Made the options program for the latex manual compile...
tree
|
commitdiff
2010-08-31
Erik Lindahl
Fixed typo in src/contrib/Makefile.am
tree
|
commitdiff
2010-08-31
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-31
Erik Lindahl
Fixed incorrect call to gmx_finalize() in gmx_pme_error()
tree
|
commitdiff
2010-08-31
Rossen Apostolov
OpenMM now accepts cut-off method, since it's needed...
tree
|
commitdiff
2010-08-31
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-31
Erik Lindahl
Added Cpack support
tree
|
commitdiff
2010-08-31
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-31
Sander Pronk
Fixed memory ordering issue on ppc with gcc&xlc.
tree
|
commitdiff
2010-08-31
Szilard Pall
Merge branch 'release-4-5-patches' of git://git.gromacs...
tree
|
commitdiff
2010-08-31
Szilard Pall
Improved option disabling on switching to OpenMM build...
tree
|
commitdiff
2010-08-31
Sander Pronk
thread_mpi fixes: gcc works on power7, xlc still does...
tree
|
commitdiff
2010-08-31
Szilard
Removed leftover debug message from openmm_wrapper
tree
|
commitdiff
2010-08-31
Berk Hess
avoided creation of neighborlists without j-particles
tree
|
commitdiff
2010-08-31
Erik Lindahl
Added label writing capability to editconf when used...
tree
|
commitdiff
2010-08-31
Erik Lindahl
Added check for <2 frames when autocorrelation is reque...
tree
|
commitdiff
2010-08-31
Erik Lindahl
Moved buggy and unsupported g_sdf to contrib directory...
tree
|
commitdiff
2010-08-31
Sander Pronk
Fixed warning in gmx_energy
tree
|
commitdiff
2010-08-30
hess
g_rms now allows for more atoms in trx than tpr
tree
|
commitdiff
2010-08-30
hess
small changes to grompp documentation
tree
|
commitdiff
2010-08-30
Christoph Junghans
fixed a typo in old libxdrf fortran wrapper
tree
|
commitdiff
2010-08-30
Erik Lindahl
Improved handling of include paths in gmxcpp from Teemu
tree
|
commitdiff
2010-08-30
Christoph Junghans
forcerec.c: added missing int
tree
|
commitdiff
2010-08-30
Sander Pronk
grompp calculates output size with dh data estimate.
tree
|
commitdiff
2010-08-30
Sander Pronk
Clearer error messages in g_energy.
tree
|
commitdiff
2010-08-30
Sander Pronk
Fixed the g_energy -odh option to be less confusing.
tree
|
commitdiff
2010-08-30
hess
Corrected trjconv check for topology presence, see...
tree
|
commitdiff
2010-08-30
Mark Abraham
Made a pdb2gmx message less cryptic when it finds multi...
tree
|
commitdiff
2010-08-29
Sander Pronk
Made the dhdl_derivatives option do something when...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Added longer list of authors...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Added check for SSE2 support to use generalized born...
tree
|
commitdiff
2010-08-26
Roland Schulz
Revert "Parenthesis around comparisons and no <= or...
tree
|
commitdiff
2010-08-27
Roland Schulz
fix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Added trjconv check for topology prescence, see bugzill...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Fixed gmxcpp to always use unix path separators in...
tree
|
commitdiff
2010-08-27
Roland Schulz
Parenthesis around comparisons and no <= or >= for xlc
tree
|
commitdiff
2010-08-27
Sander Pronk
Fixed begin and end times in g_bar.
tree
|
commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Fixed another uninitialized variable warning in gmx_ene...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Add current path (./) to topol.top include when force...
tree
|
commitdiff
2010-08-27
Sander Pronk
More documentation for g_bar.
tree
|
commitdiff
2010-08-27
Erik Lindahl
Dont write EOF warnings to stdout every time we checkpo...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-27
Erik Lindahl
Fixed first statemement occuring before variable declar...
tree
|
commitdiff
2010-08-27
Sander Pronk
Some documentation changes.
tree
|
commitdiff
2010-08-27
Sander Pronk
Some documentation changes.
tree
|
commitdiff
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-26
Erik Lindahl
Modified pdb2gmx to automatically pick the force field...
tree
|
commitdiff
2010-08-26
Rossen Apostolov
Modified the OpenMM wrapper interface to support the...
tree
|
commitdiff
2010-08-26
Rossen Apostolov
Added the g_pme_error tool from Florian Dommert. Thanks!
tree
|
commitdiff
2010-08-26
Rossen Apostolov
Fixed hardcoded OpenMM library name.
tree
|
commitdiff
2010-08-26
Sander Pronk
gmx_bar now works with derivative histogram sets.
tree
|
commitdiff
2010-08-26
Erik Lindahl
Fixed pointer typo in patch from Alexey Shvetsov
tree
|
commitdiff
2010-08-26
Erik Lindahl
Added PBC checking patch to g_cluster from Alexey Shvet...
tree
|
commitdiff
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-26
Erik Lindahl
Modified pdb2gmx to not accept extra hydrogen atoms...
tree
|
commitdiff
2010-08-26
Sander Pronk
Free energy histogram bug fixes.
tree
|
commitdiff
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-26
Berk Hess
fixed bug that caused corrupted checkpoint files
tree
|
commitdiff
2010-08-26
Sander Pronk
derivative histograms are now written in both positive...
tree
|
commitdiff
2010-08-26
Berk Hess
pdb2gmx now only allows a mismatch of a sign (iso any...
tree
|
commitdiff
2010-08-26
Sander Pronk
g_bar reads dhdl.xvg files without derivatives.
tree
|
commitdiff
2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
tree
|
commitdiff
2010-08-26
Teemu Murtola
Fixed valgrind warnings and a segfault in pdb2gmx.
tree
|
commitdiff
2010-08-26
Mark Abraham
Spelling fixes in pdb2gmx documentation
tree
|
commitdiff
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-26
Erik Lindahl
Revert "Made pdb2gmx be slightly more helpful when...
tree
|
commitdiff
2010-08-26
Rossen Apostolov
Removed the unnecessary hacks from some boolean statements.
tree
|
commitdiff
2010-08-26
Erik Lindahl
Fix for warning in ngmx makefile
tree
|
commitdiff
2010-08-26
Erik Lindahl
Removed useless g_logo and g_highway programs from...
tree
|
commitdiff
2010-08-26
Erik Lindahl
g_kinetics removed from automatically built programs...
tree
|
commitdiff
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
tree
|
commitdiff
2010-08-25
Erik Lindahl
Added missing header include
tree
|
commitdiff
2010-08-25
hess
turned on pdb2gmx Amber rtp renaming for pdb input...
tree
|
commitdiff
2010-08-25
hess
fixed pdb2gmx not automatically changing termini rtp...
tree
|
commitdiff
2010-08-25
David van der Spoel
Made genrestr -constr to produce constraints of type...
tree
|
commitdiff
2010-08-25
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-25
Erik Lindahl
Made sure all source files have some copyright header...
tree
|
commitdiff
2010-08-25
Mark Abraham
Fixed leak from unclosed directory handles when pdb2gmx...
tree
|
commitdiff
2010-08-25
Mark Abraham
Made pdb2gmx be slightly more helpful when using AMBER...
tree
|
commitdiff
next