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

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

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

2011-03-22	Justin Lemkul	Lots of editorial fixes to descriptions, etc. to make...	blob \| commitdiff \| raw
2011-03-08	Mark Abraham	Added grompp note about avoiding zero-step EM	blob \| commitdiff \| raw \| diff to current
2011-01-29	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-01-28	Mark Abraham	Improved grompp documentation	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
2011-01-14	Justin Lemkul	Fixes to grompp -maxwarn documentation. Issue ID #627	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
2010-11-04	hess	clarified GB parameter error messages in grompp	blob \| commitdiff \| raw \| diff to current
2010-11-02	Berk Hess	fixed incorrect print in fatal error on charge group...	blob \| commitdiff \| raw \| diff to current
2010-11-02	Berk Hess	proper defined of MAX_CHARGEGROUP_SIZE=32 in a single...	blob \| commitdiff \| raw \| diff to current
2010-11-02	David van der Spoel	Fixed bug 608 by throwing a fatal error in grompp.	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
2010-10-22	Per Larsson	Added a check in grompp for the case with particles...	blob \| commitdiff \| raw \| diff to current
2010-10-09	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-09	Erik Lindahl	Fixed uninitialized variable warning in grompp.c	blob \| commitdiff \| raw \| diff to current
2010-10-08	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-10-05	Berk Hess	made grompp mdp input file non-optional, fixes bugzilla 577	blob \| commitdiff \| raw \| diff to current
2010-09-22	Berk Hess	added a warning/note for bond oscillational periods...	blob \| commitdiff \| raw \| diff to current
2010-09-13	Berk Hess	fixed grompp -t frame choice for trajectories with...	blob \| commitdiff \| raw \| diff to current
2010-09-13	Berk Hess	added check and warning for no velocities in grompp...	blob \| commitdiff \| raw \| diff to current
2010-08-30	hess	small changes to grompp documentation	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
2010-08-02	Erik Lindahl	Removed unused variable that caused a warning	blob \| commitdiff \| raw \| diff to current
2010-08-01	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-01	Roland Schulz	added missing initialization	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-08	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-07	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	Maarten Wolf	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-05	Berk Hess	removed a lot of slow FFT grid sizes from calc_grid...	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
2010-06-23	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-06-22	Sander Pronk	Most (if not all) file operations are now thread safe.	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-05-26	Erik Marklund	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-25	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-24	David van der Spoel	Removed C++ style comments in mdrun.	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
2010-05-02	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-04-29	Berk Hess	Merge commit 'origin/master' into 2dpme	blob \| commitdiff \| raw \| diff to current
2010-04-28	Berk Hess	fixed the grompp -e option and added notes on checkpoin...	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	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
2010-03-07	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-03-02	Berk Hess	added option to init_warning to turn all warnings into...	blob \| commitdiff \| raw \| diff to current
2010-03-02	Berk Hess	moved all global variables for input file checking...	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-03-01	Berk Hess	split off warninp.c with input reading warning routines...	blob \| commitdiff \| raw \| diff to current
2010-03-01	Berk Hess	added charge group size check to grompp	blob \| commitdiff \| raw \| diff to current
2010-02-19	Berk	the pme load ratio calculation now takes charge perturb...	blob \| commitdiff \| raw \| diff to current
2010-01-26	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-25	Sander Pronk	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-25	Sander Pronk	Fixed output_env member functions (names, support for...	blob \| commitdiff \| raw \| diff to current
2010-01-22	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-22	Berk Hess	added warning for using full electrostatics without...	blob \| commitdiff \| raw \| diff to current
2010-01-22	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-21	David van der Spoel	Made programs less verbose about atomprops and about...	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
2010-01-13	Carsten Kutzner	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-11	Michael Shirts	changes the nnhchains name to nhchainlength	blob \| commitdiff \| raw \| diff to current
2010-01-11	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-11	Berk Hess	made separate arrays for NH pressure variables	blob \| commitdiff \| raw \| diff to current
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-07	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-07	Berk	moved cmap_grid from mtop to ffparams and idef	blob \| commitdiff \| raw \| diff to current
2010-01-05	Roland Schulz	Undo Michael's accidental commits with:	blob \| commitdiff \| raw \| diff to current
2010-01-04	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-01-02	Michael Shirts	Revision of handling of foreign lambda bonds.	blob \| commitdiff \| raw \| diff to current
2010-01-01	Michael Shirts	More fixes for the multicomponent lambda.	blob \| commitdiff \| raw \| diff to current
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-21	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	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
2009-12-20	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-12-20	Michael Shirts	Fixed an issue with checkpointing not getting the first...	blob \| commitdiff \| raw \| diff to current
2009-12-19	Michael Shirts	Committing to merge	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
2009-11-30	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-27	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-19	Berk Hess	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-11-18	Berk	improved residue numbering	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	David van der Spoel	Added a lot of help text	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
2009-09-09	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-02	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-31	Erik Lindahl	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-31	Erik Lindahl	Changes to have GB detect 1-2,1-3,1-4 params from exclu...	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-27	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-26	Erik Lindahl	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-26	Berk Hess	fixed the grompp check from GBSA parameters	blob \| commitdiff \| raw \| diff to current
2009-08-21	Sander Pronk	Merge branch 'thread_mpi'. Threads should work for...	blob \| commitdiff \| raw \| diff to current
2009-08-04	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-03	Berk Hess	changed the twin-range integrator to a symplectic Trott...	blob \| commitdiff \| raw \| diff to current
2009-07-06	Sander Pronk	more const-correctness fixes	blob \| commitdiff \| raw \| diff to current
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