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

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

[alexxy/gromacs.git] / src / kernel / pdb2gmx.c

2013-01-18	Mark Abraham	Fixing copyright issues and code contributors	blob \| commitdiff \| raw
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-11	Christoph Junghans	Merge "Fix CUDA being quiet and mark all CUDA_* as...	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-09	Roland Schulz	Merge "[tools] g_sans - add trajectory avereging" into...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Ignore bool cast warning for MSVC and C++" into...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "improved reporting of failed affinity setting...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Fixed format error in online manual." into relea...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Fixed a bug that with multiple exchanges" into...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Essential dynamics: fixed restarts when ED group...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "minor speed-up and code clean-up in nbnxn kernel...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Christoph Junghans	Merge "Make gmx_cpuid.h self-standing." into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-04	Teemu Murtola	Merge "Minor fixes to g_angle help description." into...	blob \| commitdiff \| raw \| diff to current
2013-01-04	Teemu Murtola	Merge "add an option to not build the template" into...	blob \| commitdiff \| raw \| diff to current
2013-01-04	Teemu Murtola	Merge "Add missing defines to PKG_CFLAGS" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-04	Teemu Murtola	Merge "Fixed error message for zwitterion residues...	blob \| commitdiff \| raw \| diff to current
2012-12-27	Erik Lindahl	Fixed error message for zwitterion residues	blob \| commitdiff \| raw \| diff to current
2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-23	Roland Schulz	Merge "removed group non-boneded call with verlet schem...	blob \| commitdiff \| raw \| diff to current
2012-11-23	Roland Schulz	Merge "improve FindGROMACS.cmake" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-23	Roland Schulz	Force C++ linking of the gpu_utils	blob \| commitdiff \| raw \| diff to current
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-03	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-09-03	Kasson	Merge "Document correct comm_mode option" into release...	blob \| commitdiff \| raw \| diff to current
2012-09-03	Kasson	Merge "Improved pdb2gmx output" into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-08-31	Mark Abraham	Improved pdb2gmx output	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-07	Teemu Murtola	Merge branch 'gerrit/release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-03-28	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-21	Roland Schulz	Removing unused code	blob \| commitdiff \| raw \| diff to current
2012-03-20	Roland Schulz	Fix incorrect fclose usage	blob \| commitdiff \| raw \| diff to current
2011-09-16	Erik Lindahl	Merge "made allocation for LINCS with particle decompos...	blob \| commitdiff \| raw \| diff to current
2011-09-15	Berk Hess	Merge "Introduced different options for pdb2gmx termini...	blob \| commitdiff \| raw \| diff to current
2011-09-13	Erik Lindahl	Introduced different options for pdb2gmx termini introd...	blob \| commitdiff \| raw \| diff to current
2011-08-23	Roland Schulz	Merge "fixed operation on closed file structure in...	blob \| commitdiff \| raw \| diff to current
2011-08-23	Roland Schulz	Merge "fixed possible infinite loop when reading atom...	blob \| commitdiff \| raw \| diff to current
2011-08-19	Mark Abraham	Explained terminal residues and AMBER in pdb2gmx -h	blob \| commitdiff \| raw \| diff to current
2011-07-20	Justin A. Lemkul	Removed jargon and abbreviations from pdb2gmx.	blob \| commitdiff \| raw \| diff to current
2011-05-06	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-04-10	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-04-07	Justin A. Lemkul	Revised wording in pdb2gmx.c, hopefully clearer now.	blob \| commitdiff \| raw \| diff to current
2011-04-06	Justin A. Lemkul	Added documentation about proper use of pdb2gmx -ter.	blob \| commitdiff \| raw \| diff to current
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2011-03-23	Justin Lemkul	Tons of small fixes to documentation.	blob \| commitdiff \| raw \| diff to current
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2011-01-26	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-01-23	Mark Abraham	Improved consistency of text style usage	blob \| commitdiff \| raw \| diff to current
2010-11-09	Berk Hess	fixed compiler warning in pdb2gmx.c	blob \| commitdiff \| raw \| diff to current
2010-10-28	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-28	Berk Hess	fixed pdb2gmx chain merging bug (bugzilla 544)	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Modified pdb2gmx to automatically pick the force field...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Modified pdb2gmx to not accept extra hydrogen atoms...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Mark Abraham	Spelling fixes in pdb2gmx documentation	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-26	Erik Lindahl	Revert "Made pdb2gmx be slightly more helpful when...	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-08-25	hess	turned on pdb2gmx Amber rtp renaming for pdb input...	blob \| commitdiff \| raw \| diff to current
2010-08-25	hess	fixed pdb2gmx not automatically changing termini rtp...	blob \| commitdiff \| raw \| diff to current
2010-08-25	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-25	Mark Abraham	Made pdb2gmx be slightly more helpful when using AMBER...	blob \| commitdiff \| raw \| diff to current
2010-08-24	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-24	hess	pdb2gmx can now rename terminal rtp entries with rtp...	blob \| commitdiff \| raw \| diff to current
2010-08-24	Berk Hess	fixed pdb2gmx using start name iso end name for C-terminus	blob \| commitdiff \| raw \| diff to current
2010-08-24	Berk Hess	fixed pdb2gmx behavior for nearly matching residue...	blob \| commitdiff \| raw \| diff to current
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-23	Berk Hess	removed the pdb2gmx -cwd option and updated the pdb2gmx...	blob \| commitdiff \| raw \| diff to current
2010-08-23	Mark Abraham	Two spelling fixes in comment and output	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Replaced all occurences of str(n)casecmp with gmx_str...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-12	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-12	Berk Hess	made the pdb2gmx occupancy warning more obvious	blob \| commitdiff \| raw \| diff to current
2010-08-11	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-11	Berk Hess	removed -merge from the pdb2gmx manual and clarified...	blob \| commitdiff \| raw \| diff to current
2010-08-10	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-10	Rossen Apostolov	Added missing NULL in chainsep enum in pdb2gmx.	blob \| commitdiff \| raw \| diff to current
2010-08-10	Erik Lindahl	MAYBE a fix for Berk's Heme problem. Needs testing	blob \| commitdiff \| raw \| diff to current
2010-08-10	Berk Hess	removed pdb2gmx -cysh hidden option that should have...	blob \| commitdiff \| raw \| diff to current
2010-07-29	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-29	Erik Lindahl	Improved chain separation detection for pdb2gmx, and...	blob \| commitdiff \| raw \| diff to current
2010-07-27	Erik Lindahl	Temporarily disabled a new pdb2gmx option	blob \| commitdiff \| raw \| diff to current
2010-07-27	Erik Lindahl	Modified PDB io code to merely store the chain _identif...	blob \| commitdiff \| raw \| diff to current
2010-07-26	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-26	Erik Lindahl	pdb2gmx now applies termini to the first/last residues...	blob \| commitdiff \| raw \| diff to current
2010-07-25	Erik Lindahl	Enforce rule about matching rtp and tdb names to non...	blob \| commitdiff \| raw \| diff to current
2010-07-24	Erik Lindahl	Second batch of file modifications to enable Amber...	blob \| commitdiff \| raw \| diff to current
2010-07-21	Erik Lindahl	Changes to enable Amber99	blob \| commitdiff \| raw \| diff to current
2010-07-14	David van der Spoel	Fixed bug 467 realting to pdb2gmx output of the water...	blob \| commitdiff \| raw \| diff to current
2010-06-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-24	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
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