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2014-06-25	David van der Spoel	Added check for domain decomposition and shells.	commit \| commitdiff \| tree
2014-06-24	David van der Spoel	Added check in grompp for shells and inputrec issues.	commit \| commitdiff \| tree
2014-06-22	David van der Spoel	Implemented fatal error for nstcalcenergy!=1 with shells.	commit \| commitdiff \| tree
2014-06-13	David van der Spoel	Fix memory-usage error in g_chi	commit \| commitdiff \| tree
2014-05-16	David van der Spoel	Fixes a complicated bug in g_anaeig.	commit \| commitdiff \| tree
2014-01-09	David van der Spoel	Fixed precision in thermal expansion coefficient calc.	commit \| commitdiff \| tree
2013-12-23	David van der Spoel	Fixed compilation issue due to gcc4.8	commit \| commitdiff \| tree
2013-07-24	David van der Spoel	Fixes #1312 uninitialized error in g_enemat.	commit \| commitdiff \| tree
2013-05-30	David van der Spoel	Fixes #1194 error reading 4.5.5 tpr files with dihres	commit \| commitdiff \| tree
2013-05-02	David van der Spoel	Fixes #1238 g_hydorder does not call set_pbc.	commit \| commitdiff \| tree
2013-03-07	David van der Spoel	Fixes #1183 PBC bug in g_mindist	commit \| commitdiff \| tree
2013-02-13	David van der Spoel	Plain text quotes.	commit \| commitdiff \| tree
2013-01-11	David van der Spoel	Fixes #994 confusion in atomprop.	commit \| commitdiff \| tree
2012-11-26	David van der Spoel	Fixes #1035 NaN in g_cluster output.	commit \| commitdiff \| tree
2012-11-20	David van der Spoel	Fixes bug in g_hbond that makes it produce fatal error.	commit \| commitdiff \| tree
2012-11-12	David van der Spoel	Fixes #1020 options in g_enemat	commit \| commitdiff \| tree
2012-10-21	David van der Spoel	Fixed Bug #593 about memory hole in trjcat.	commit \| commitdiff \| tree
2012-10-04	David van der Spoel	Set return value to FALSE (0) in estimate_dt in libxdrf.c	commit \| commitdiff \| tree
2012-09-15	David van der Spoel	Merge "Adapted NMR related data to new pdb format....	commit \| commitdiff \| tree
2012-09-07	David van der Spoel	Adapted NMR related data to new pdb format.	commit \| commitdiff \| tree
2012-09-04	David van der Spoel	Made tutorial slightly less confusing.	commit \| commitdiff \| tree
2012-08-16	David van der Spoel	Optional computation of fluct. props in g_energy. Fixes...	commit \| commitdiff \| tree
2012-06-30	David van der Spoel	Fixed bug in free energy calculation for Morse potentials	commit \| commitdiff \| tree
2012-06-21	David van der Spoel	Fixes #961 - Shake reports wrong error	commit \| commitdiff \| tree
2012-06-16	David van der Spoel	Fixes #882 - looping bug in trxio.c	commit \| commitdiff \| tree
2012-03-17	David van der Spoel	Removed qhop files from this branch.	commit \| commitdiff \| tree
2012-03-10	David van der Spoel	Vibration spectra from velocity ACF or Normal modes.	commit \| commitdiff \| tree
2012-01-31	David van der Spoel	Changed order of parameters in top file	commit \| commitdiff \| tree
2012-01-25	David van der Spoel	Added two new bonded functions.	commit \| commitdiff \| tree
2012-01-17	David van der Spoel	Replace stderr by stdout in editconf terminal output...	commit \| commitdiff \| tree
2012-01-04	David van der Spoel	Introduced fatal error in grompp for incorrect use...	commit \| commitdiff \| tree
2011-09-21	David van der Spoel	Commented out part of this new program that was not...	commit \| commitdiff \| tree
2011-09-21	David van der Spoel	Fixed documentation issue described in redmine issue...	commit \| commitdiff \| tree
2011-09-21	David van der Spoel	Fixed documentation issue described in redmine issue...	commit \| commitdiff \| tree
2011-09-19	David van der Spoel	Fixed compilation issues	commit \| commitdiff \| tree
2011-09-19	David van der Spoel	Resolved gerrit issue https://gerrit.gromacs.org/#change,126	commit \| commitdiff \| tree
2011-05-23	David van der Spoel	Re-implemented the fluctuation analysis, based on Enthalpy...	commit \| commitdiff \| tree
2011-04-10	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2011-04-10	David van der Spoel	Added g_hydorder.1 man page.	commit \| commitdiff \| tree
2011-04-06	David van der Spoel	Fixed header for gmx_conect_init	commit \| commitdiff \| tree
2011-04-04	David van der Spoel	New entry	commit \| commitdiff \| tree
2011-01-22	David van der Spoel	Fixed bug 678 which was due to calling gmx_fatal without...	commit \| commitdiff \| tree
2010-12-23	David van der Spoel	Fixed bug in statistics which did not allow fitting...	commit \| commitdiff \| tree
2010-12-11	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-12-11	David van der Spoel	Added 1 quote.	commit \| commitdiff \| tree
2010-11-28	David van der Spoel	Fixed bugzilla 616 about formatting in the help text.	commit \| commitdiff \| tree
2010-11-18	David van der Spoel	Made printing in check_multi_init conditional, depending...	commit \| commitdiff \| tree
2010-10-28	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-10-08	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-09-28	David van der Spoel	Re-added g_kinetics to src/tools/Makefile.am	commit \| commitdiff \| tree
2010-09-24	David van der Spoel	Updated to reflect bug 557.	commit \| commitdiff \| tree
2010-09-16	David van der Spoel	Corrected name of one of the developers listed in header.	commit \| commitdiff \| tree
2010-09-14	David van der Spoel	Fixed bug 553 by checking whether an atom name is longer...	commit \| commitdiff \| tree
2010-09-12	David van der Spoel	Fixed demo to work with new pdb2gmx that requires two...	commit \| commitdiff \| tree
2010-08-25	David van der Spoel	Made genrestr -constr to produce constraints of type...	commit \| commitdiff \| tree
2010-08-22	David van der Spoel	Fixed bug 417.	commit \| commitdiff \| tree
2010-08-19	David van der Spoel	Fixes more misery in function skipstr, where pointers...	commit \| commitdiff \| tree
2010-08-19	David van der Spoel	Added two missing include files. Fixed horrible coding...	commit \| commitdiff \| tree
2010-08-04	David van der Spoel	Fixed reuse of variable as temp variable before printing...	commit \| commitdiff \| tree
2010-08-03	David van der Spoel	Fixed bug 487 according to provided patch.	commit \| commitdiff \| tree
2010-08-03	David van der Spoel	Fixed documentation text according to bugzilla 486	commit \| commitdiff \| tree
2010-08-01	David van der Spoel	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree
2010-08-01	David van der Spoel	Moved pdb2top.h from src/kernel to include to allow...	commit \| commitdiff \| tree
2010-07-31	David van der Spoel	Renamed typename to my_typename in index.c since typename...	commit \| commitdiff \| tree
2010-07-15	David van der Spoel	Fixed compilation issue corresponding to bug 468	commit \| commitdiff \| tree
2010-07-13	David van der Spoel	Fixed bug 466 by commenting out the offending lines...	commit \| commitdiff \| tree
2010-07-08	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-08	David van der Spoel	Added bondedtypes section to rtp files. It might be...	commit \| commitdiff \| tree
2010-07-03	David van der Spoel	Fixed include statements such that double precision...	commit \| commitdiff \| tree
2010-07-02	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-02	David van der Spoel	Made removing pbc non-static. This affects many analysis...	commit \| commitdiff \| tree
2010-07-02	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-07-02	David van der Spoel	Fixed bug http://bugzilla.gromacs.org/show_bug.cgi...	commit \| commitdiff \| tree
2010-06-30	David van der Spoel	Fixed http://bugzilla.gromacs.org/show_bug.cgi?id=457...	commit \| commitdiff \| tree
2010-06-30	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-30	David van der Spoel	Fixed bug in b-factors output by g_confrms. They were...	commit \| commitdiff \| tree
2010-06-27	David van der Spoel	Added missing argument step to trotter_update. How...	commit \| commitdiff \| tree
2010-06-27	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-27	David van der Spoel	Updated CMakeLists.txt in ngmx directory to exclude...	commit \| commitdiff \| tree
2010-06-27	David van der Spoel	Fixed many issues regarding to compilation with C+...	commit \| commitdiff \| tree
2010-06-18	David van der Spoel	Fixed Makefile.am leading to warnings.	commit \| commitdiff \| tree
2010-06-14	David van der Spoel	Fixed make_edi.c	commit \| commitdiff \| tree
2010-06-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-14	David van der Spoel	Added more fixes in comment texts, generously provided...	commit \| commitdiff \| tree
2010-06-12	David van der Spoel	Fixed a lot of spelling errors in comments and documentation...	commit \| commitdiff \| tree
2010-06-11	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-11	David van der Spoel	Fixed force field files for ATP in order to clear bug	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Made legend more or less work in g_chi. Don't know...	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Fixed SEGV in g_chi as described in bug 430.	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Added option -nopbc to g_rmsdist in order to fix	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Pedantic change in the check whether a filename is...	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Renamed some programs to follow the g_ doctrine: luck...	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Cleaned up and renamed files in ngmx directory to better...	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Renamed some files in a roundabout way to adhere to...	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Removed average.c, that functionality is now in g_analyze.	commit \| commitdiff \| tree
2010-06-10	David van der Spoel	Fixed strange typo in gmx_dih.c	commit \| commitdiff \| tree
2010-06-06	David van der Spoel	Moved warning message in add_atomtype to be printed...	commit \| commitdiff \| tree
2010-06-03	David van der Spoel	Made x2top (very) slightly functional again. Still...	commit \| commitdiff \| tree
2010-06-02	David van der Spoel	Changed error message for settle problems, such that...	commit \| commitdiff \| tree
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