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

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

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

2011-03-23	Justin Lemkul	Tons of small fixes to documentation.	blob \| commitdiff \| raw
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
2010-06-24	Berk Hess	changed pdb2gmx water model atom count detection	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	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
2010-06-12	David van der Spoel	Fixed a lot of spelling errors in comments and document...	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
2010-06-02	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-01	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-01	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-06-01	Sander Pronk	Fixed warnings, including some that were almost certain...	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
2010-05-12	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Rossen Apostolov	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-12	Berk Hess	corrected pdb2gmx force field comments	blob \| commitdiff \| raw \| diff to current
2010-05-12	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-11	Berk Hess	added proper DNA and RNA residue recognition	blob \| commitdiff \| raw \| diff to current
2010-05-10	Berk Hess	completion of the pdb2gmx residue renaming change	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
2010-05-07	Szilard Pall	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-07	Berk Hess	added a column for single residue chain to r2b file	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 also keeps the residue names CYS, HEM and HIS	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
2010-03-12	Berk Hess	fixed non terminated resname in pdb2gmx	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
2010-02-03	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2010-01-31	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-28	Berk Hess	implemented force field atom renaming files for pdb2gmx	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	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
2010-01-15	Berk Hess	implemented pdb2gmx residue renaming	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
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