BioD PNPI Git Repos - alexxy/gromacs.git/shortlog

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2011-09-21	Rossen Apostolov	Updated version: now 4.6	commit \| commitdiff \| tree \| snapshot
2011-09-21	David van der...	Commented out part of this new program that was not...	commit \| commitdiff \| tree \| snapshot
2011-09-21	David van der...	Fixed documentation issue described in redmine issue...	commit \| commitdiff \| tree \| snapshot
2011-09-21	David van der...	Fixed documentation issue described in redmine issue...	commit \| commitdiff \| tree \| snapshot
2011-09-20	Rossen Apostolov	New release: 4.5.5	commit \| commitdiff \| tree \| snapshot
2011-09-19	Justin A. Lemkul	Fixed typos in documentation.	commit \| commitdiff \| tree \| snapshot
2011-09-19	Sander Pronk	C89 fixes.	commit \| commitdiff \| tree \| snapshot
2011-09-19	David van der...	Fixed compilation issues	commit \| commitdiff \| tree \| snapshot
2011-09-19	Rossen Apostolov	Merge "Resolved gerrit issue https://gerrit.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-09-19	David van der...	Resolved gerrit issue https://gerrit.gromacs.org/#chang...	commit \| commitdiff \| tree \| snapshot
2011-09-19	Rossen Apostolov	Added support for g_dos, g_hydorder and g_densorder...	commit \| commitdiff \| tree \| snapshot
2011-09-19	Rossen Apostolov	Fixed a bug in egbOBC and double precission.	commit \| commitdiff \| tree \| snapshot
2011-09-19	Berk Hess	added grompp check for posres+pcoupl+refcoord_scaling=no	commit \| commitdiff \| tree \| snapshot
2011-09-16	Rossen Apostolov	Merge "g_wham: fixed pullx.xvg reading issue with pull_...	commit \| commitdiff \| tree \| snapshot
2011-09-16	Erik Lindahl	Merge "made allocation for LINCS with particle decompos...	commit \| commitdiff \| tree \| snapshot
2011-09-16	Jochen Hub	g_wham: fixed pullx.xvg reading issue with pull_geometr...	commit \| commitdiff \| tree \| snapshot
2011-09-15	Berk Hess	mdrun -multi -cpi now checks if simulations parts are...	commit \| commitdiff \| tree \| snapshot
2011-09-15	Berk Hess	Merge "Introduced different options for pdb2gmx termini...	commit \| commitdiff \| tree \| snapshot
2011-09-15	Mark Abraham	Fix trjconv -sub	commit \| commitdiff \| tree \| snapshot
2011-09-15	Mark Abraham	Warning about trjconv -sub needing many files open	commit \| commitdiff \| tree \| snapshot
2011-09-15	Mark Abraham	g_sham -mdata is an input file, not output file	commit \| commitdiff \| tree \| snapshot
2011-09-14	Mark Abraham	Format warning better	commit \| commitdiff \| tree \| snapshot
2011-09-13	Rossen Apostolov	Merge "Added warning line." into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2011-09-13	Erik Lindahl	Introduced different options for pdb2gmx termini introd...	commit \| commitdiff \| tree \| snapshot
2011-09-13	Berk Hess	Merge "Fix pdb2gmx -debug and .hdb files" into release...	commit \| commitdiff \| tree \| snapshot
2011-09-13	Berk Hess	Merge "Fixed charge groups of CHARMM27 DNA/RNA terminal...	commit \| commitdiff \| tree \| snapshot
2011-09-13	Berk Hess	Merge "Added ACE and CT3 to CHARMM27 aminoacids.rtp...	commit \| commitdiff \| tree \| snapshot
2011-09-13	David van der...	Added warning line.	commit \| commitdiff \| tree \| snapshot
2011-09-13	Erik Lindahl	Fixed incorrection AmberGS force field (redmine #728)	commit \| commitdiff \| tree \| snapshot
2011-09-13	Roland Schulz	Merge "fixed grompp issue with decoupling and virtual...	commit \| commitdiff \| tree \| snapshot
2011-09-13	Rossen Apostolov	Merge "Fixes for CMake finding FORTRAN library names...	commit \| commitdiff \| tree \| snapshot
2011-09-13	Berk Hess	Merge "Remove segv in xpm2ps, fixes #611" into release...	commit \| commitdiff \| tree \| snapshot
2011-09-13	Berk Hess	fixed grompp issue with decoupling and virtual sites	commit \| commitdiff \| tree \| snapshot
2011-09-13	Mark Abraham	Fix pdb2gmx -debug and .hdb files	commit \| commitdiff \| tree \| snapshot
2011-09-13	Mark Abraham	Fix for CMake finding LAPACK	commit \| commitdiff \| tree \| snapshot
2011-09-13	Mark Abraham	Added ACE and CT3 to CHARMM27 aminoacids.rtp	commit \| commitdiff \| tree \| snapshot
2011-09-13	Mark Abraham	Fixed charge groups of CHARMM27 DNA/RNA terminal H	commit \| commitdiff \| tree \| snapshot
2011-09-13	Mark Abraham	Fixes for CMake finding FORTRAN library names on POWER6	commit \| commitdiff \| tree \| snapshot
2011-09-09	Rossen Apostolov	Added support for custom external BLAS/LAPACK libraries.	commit \| commitdiff \| tree \| snapshot
2011-09-06	Mark Abraham	Fix bug with large ints without MPI_IN_PLACE	commit \| commitdiff \| tree \| snapshot
2011-09-05	Berk Hess	made allocation for LINCS with particle decomposition...	commit \| commitdiff \| tree \| snapshot
2011-09-05	Michael Shirts	Merge "fixed incorrect pV term in the energy file"...	commit \| commitdiff \| tree \| snapshot
2011-09-01	Mark Abraham	Made grompp note about non-zero charge more useful	commit \| commitdiff \| tree \| snapshot
2011-09-01	Mark Abraham	Re-implemented generating default protein index groups	commit \| commitdiff \| tree \| snapshot
2011-09-01	Mark Abraham	Adjusted construction of default index groups	commit \| commitdiff \| tree \| snapshot
2011-09-01	Mark Abraham	Fixed comment	commit \| commitdiff \| tree \| snapshot
2011-08-31	Carsten Kutzner	Remove segv in xpm2ps, fixes #611	commit \| commitdiff \| tree \| snapshot
2011-08-29	Berk Hess	fixed incorrect pV term in the energy file	commit \| commitdiff \| tree \| snapshot
2011-08-25	Carsten Kutzner	Instead of a segv, mdrun now gives an error msg if...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "Fixed g_disre dereferencing cr" into release...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "Typo fix" into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "fixed operation on closed file structure in...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "fixed possible infinite loop when reading atom...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Mark Abraham	Fixed g_disre dereferencing cr	commit \| commitdiff \| tree \| snapshot
2011-08-23	Mark Abraham	Typo fix	commit \| commitdiff \| tree \| snapshot
2011-08-22	Berk Hess	fixed operation on closed file structure in gmx_rmsdist...	commit \| commitdiff \| tree \| snapshot
2011-08-22	Berk Hess	fixed possible infinite loop when reading atom types...	commit \| commitdiff \| tree \| snapshot
2011-08-19	Mark Abraham	Explained terminal residues and AMBER in pdb2gmx -h	commit \| commitdiff \| tree \| snapshot
2011-08-16	Mark Abraham	Made free energy perturbation work with CMAP	commit \| commitdiff \| tree \| snapshot
2011-08-15	Berk Hess	fixed incorrect pointer assignment in g_protonate	commit \| commitdiff \| tree \| snapshot
2011-08-12	Berk Hess	implemented full exclusion support for the charge-group...	commit \| commitdiff \| tree \| snapshot
2011-08-11	Roland Schulz	Merge "removed npmenodes mismatch warning in read_check...	commit \| commitdiff \| tree \| snapshot
2011-08-11	Berk Hess	Merge "Make sure that ftell works correctly for files...	commit \| commitdiff \| tree \| snapshot
2011-08-10	Roland Schulz	Make sure that ftell works correctly for files opened...	commit \| commitdiff \| tree \| snapshot
2011-08-10	Berk Hess	removed npmenodes mismatch warning in read_checkpoint...	commit \| commitdiff \| tree \| snapshot
2011-08-10	Berk Hess	removed fatal_error for prime number of nodes when...	commit \| commitdiff \| tree \| snapshot
2011-08-03	Mark Abraham	Fixed output bug in demux.pl	commit \| commitdiff \| tree \| snapshot
2011-08-02	Carsten Kutzner	Typo.	commit \| commitdiff \| tree \| snapshot
2011-08-02	Berk Hess	made trjconv -novel work again, fixes #722	commit \| commitdiff \| tree \| snapshot
2011-07-29	Carsten Kutzner	Fixed calculation of max and min number of PME-only...	commit \| commitdiff \| tree \| snapshot
2011-07-22	Michael Shirts	number of degrees of freedom can be fractional -- in...	commit \| commitdiff \| tree \| snapshot
2011-07-20	Justin A. Lemkul	Removed jargon and abbreviations from pdb2gmx.	commit \| commitdiff \| tree \| snapshot
2011-07-20	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-07-20	David van der...	Added initialization of arrays after srenew call.	commit \| commitdiff \| tree \| snapshot
2011-07-17	Mark Abraham	Streamlined small part of pdb2gmx	commit \| commitdiff \| tree \| snapshot
2011-07-15	Mark Abraham	Reading a .g96 trajectory now causes fatal error	commit \| commitdiff \| tree \| snapshot
2011-07-13	Berk Hess	fixed div by 0 in compute_io, fixes #778	commit \| commitdiff \| tree \| snapshot
2011-07-11	Carsten Kutzner	Added two missing headers	commit \| commitdiff \| tree \| snapshot
2011-07-11	Mark Abraham	Fix some identifier naming issues in last commit	commit \| commitdiff \| tree \| snapshot
2011-07-11	Mark Abraham	Avoided some integer overflows	commit \| commitdiff \| tree \| snapshot
2011-07-08	Mark Abraham	Clarified use of OPLS/AA zwitterion termini	commit \| commitdiff \| tree \| snapshot
2011-07-08	Mark Abraham	Fixed improper file close with GB and mdrun -debug	commit \| commitdiff \| tree \| snapshot
2011-07-08	Mark Abraham	Made pdb2gmx error message less cryptic	commit \| commitdiff \| tree \| snapshot
2011-07-06	Carsten Kutzner	Added globsig.h to include/types/Makefile.am	commit \| commitdiff \| tree \| snapshot
2011-07-01	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-07-01	Christoph Junghans	dl lib was missing in libgmx.pc if GMX_DLOPEN is enabled	commit \| commitdiff \| tree \| snapshot
2011-07-01	Justin A. Lemkul	Fixed PME citation.	commit \| commitdiff \| tree \| snapshot
2011-06-29	Justin A. Lemkul	Fixes for g_bar output. Units are now correct.	commit \| commitdiff \| tree \| snapshot
2011-06-29	Mark Abraham	Revert "draft"	commit \| commitdiff \| tree \| snapshot
2011-06-29	Mark Abraham	Improved error message and documentation	commit \| commitdiff \| tree \| snapshot
2011-06-29	Mark Abraham	draft	commit \| commitdiff \| tree \| snapshot
2011-06-23	Berk Hess	tpbconv can now read cpt files, fixes #741	commit \| commitdiff \| tree \| snapshot
2011-06-22	Berk Hess	fixed convergence of multiple pull constraints	commit \| commitdiff \| tree \| snapshot
2011-06-21	Justin A. Lemkul	Fixed typos.	commit \| commitdiff \| tree \| snapshot
2011-06-21	Justin A. Lemkul	Made grompp fatal error a little more explicit.	commit \| commitdiff \| tree \| snapshot
2011-06-21	Mark Abraham	Expanded LINCS warning text	commit \| commitdiff \| tree \| snapshot
2011-06-20	Sander Pronk	Fixed symtab buffer error message.	commit \| commitdiff \| tree \| snapshot
2011-06-16	Christoph Junghans	cmake: rename LIB to GMXLIB to avoid conflict with...	commit \| commitdiff \| tree \| snapshot
2011-06-10	Berk Hess	fixed grompp enx Nose-Hoover Xi reading, fixes #759	commit \| commitdiff \| tree \| snapshot
2011-06-10	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
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