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

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

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

2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	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
2012-09-24	Kasson	Merge "Fixed segfault with FE code for older tpr files...	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
2012-08-20	Christoph Junghans	Merge "Fixing of things associated with aminoacid.rtp...	blob \| commitdiff \| raw \| diff to current
2012-08-11	Mark Abraham	Fixing of things associated with aminoacid.rtp header	blob \| commitdiff \| raw \| diff to current
2012-07-16	Christoph Junghans	Merge "Enforced rotation: PBC/restart fix" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-15	David van der Spoel	Merge "Autogenerate gromacs.7 from programs.txt" into...	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-15	Christoph Junghans	Merge "Work around failure of endianness testing on...	blob \| commitdiff \| raw \| diff to current
2012-06-14	Roland Schulz	Merge "Made mdrun more verbose about PME split" into...	blob \| commitdiff \| raw \| diff to current
2012-06-08	Christoph Junghans	Merge "Added more suggested strategies to error message...	blob \| commitdiff \| raw \| diff to current
2012-06-04	Mark Abraham	Added more suggested strategies to error message	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
2012-04-23	Christoph Junghans	Merge "compiler flag fixes" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-22	Roland Schulz	Merge "enable command line option cheking in mdrun...	blob \| commitdiff \| raw \| diff to current
2012-04-17	Mark Abraham	Added Windows-specific #defines, and use them	blob \| commitdiff \| raw \| diff to current
2012-04-16	David van der Spoel	Merge "Added support for dssp2.X with the -ver option...	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
2012-04-03	Roland Schulz	Merge "Fixes problems with g_msd and g_energy" into...	blob \| commitdiff \| raw \| diff to current
2012-04-02	David van der Spoel	Merge "Improved pdb2gmx error message" into release...	blob \| commitdiff \| raw \| diff to current
2012-04-02	Mark Abraham	Improved pdb2gmx error message	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
2012-03-16	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-15	Roland Schulz	Fix most errors found by cppcheck	blob \| commitdiff \| raw \| diff to current
2012-03-13	Christoph Junghans	Merge "Vibration spectra from velocity ACF or Normal...	blob \| commitdiff \| raw \| diff to current
2012-03-09	Roland Schulz	Merge "Improve FindFFTW" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-02-29	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
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
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