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

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

[alexxy/gromacs.git] / src / kernel / pdb2top.c

2012-02-29	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw
2012-02-25	David van der Spoel	Merge "Minor formatting fixes to .mdp option documentat...	blob \| commitdiff \| raw \| diff to current
2012-02-23	Mark Abraham	Fix pdb2gmx -cmap in corner cases	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
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2011-03-11	Sander Pronk	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-03-11	Berk Hess	add pdb2gmx check for multiple .ff directories	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
2010-11-05	Szilard Pall	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-11-05	Berk Hess	pdb2gmx now puts atoms with cgnr=-1 in separate charge...	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
2010-08-30	Mark Abraham	Made a pdb2gmx message less cryptic when it finds multi...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Fixed gmxcpp to always use unix path separators in...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-27	Erik Lindahl	Add current path (./) to topol.top include when force...	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	Teemu Murtola	Fixed valgrind warnings and a segfault in pdb2gmx.	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	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	Berk Hess	fixed pdb2gmx behavior for nearly matching residue...	blob \| commitdiff \| raw \| diff to current
2010-08-24	hess	reenabled the pdb2gmx force field sorting	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	Berk Hess	pdb2gmx now prints the force field dir before the selec...	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
2010-07-30	Erik Lindahl	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-30	Berk	corrected pdb2gmx watermodel None counter print	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
2010-06-23	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-18	Berk	pdb2gmx force field choices now start numbering at 1	blob \| commitdiff \| raw \| diff to current
2010-06-18	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-17	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-17	Berk Hess	added water model selection and list file to pdb2gmx	blob \| commitdiff \| raw \| diff to current
2010-06-17	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-16	kasson	Merge branch 'mymaster'	blob \| commitdiff \| raw \| diff to current
2010-06-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-14	Berk Hess	added -cwd option to pdb2gmx	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-04	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-04	Berk Hess	fixed pdb2gmx messing up coordinates when deleting...	blob \| commitdiff \| raw \| diff to current
2010-06-03	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-03	Sander Pronk	Bug fixes - now compiles on Windows.	blob \| commitdiff \| raw \| diff to current
2010-05-19	Teemu Murtola	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-07	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-07	Berk Hess	changed internal Gromacs naming of cys, his and lys	blob \| commitdiff \| raw \| diff to current
2010-05-02	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-04-12	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-12	David van der Spoel	Changed the output of topology files to include the...	blob \| commitdiff \| raw \| diff to current
2010-04-04	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-30	Berk Hess	pdb2gmx now sorts the force field alphabetically	blob \| commitdiff \| raw \| diff to current
2010-03-27	Berk	pdb2gmx now prints original residue names instead of...	blob \| commitdiff \| raw \| diff to current
2010-03-12	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-10	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-10	Berk Hess	fixed hint in pdb2gmx warning	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-05	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-04	Berk Hess	removed commented out code in pdb2top	blob \| commitdiff \| raw \| diff to current
2010-02-03	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-03	Berk Hess	fixed bug in previous commit of pdb2top.c	blob \| commitdiff \| raw \| diff to current
2010-02-03	Berk Hess	fixed replace and add issues in pdb2gmx termini processing	blob \| commitdiff \| raw \| diff to current
2010-02-03	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-03	Sander Pronk	Fixed some minor code issues.	blob \| commitdiff \| raw \| diff to current
2010-02-02	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-02	Berk Hess	fixed bug in pdb2gmx tdb delete processing	blob \| commitdiff \| raw \| diff to current
2010-02-01	Berk Hess	pdb2gmx can now rename and delete atoms form the input...	blob \| commitdiff \| raw \| diff to current
2010-02-01	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-28	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-28	Berk Hess	pdb2gmx now checks for the existence of the water model...	blob \| commitdiff \| raw \| diff to current
2010-01-28	Berk Hess	renamed libfn function to gmxlibfn	blob \| commitdiff \| raw \| diff to current
2010-01-28	Berk Hess	pdb2gmx now writes the relative path to .top when the...	blob \| commitdiff \| raw \| diff to current
2010-01-27	Berk Hess	pdb2gmx now detects and reads force field files from...	blob \| commitdiff \| raw \| diff to current
2010-01-19	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-17	Michael Shirts	Adding back in changes that mysteriously disappeared.	blob \| commitdiff \| raw \| diff to current
2010-01-17	Michael Shirts	Revisions to harmonize velocity verlet with Berk's...	blob \| commitdiff \| raw \| diff to current
2010-01-14	Berk Hess	fixed pdb2gmx -p dir/topol.top top include statements	blob \| commitdiff \| raw \| diff to current
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-05	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-02	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2009-12-01	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-30	Roland Schulz	close all files with ffclose which are opened with...	blob \| commitdiff \| raw \| diff to current
2009-10-16	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-18	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-18	Berk Hess	new features for the termini database: replace now...	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-12	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-10	Berk Hess	changed pdb2gmx -nocmap option to -cmap	blob \| commitdiff \| raw \| diff to current
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