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Fixes #1238 g_hydorder does not call set_pbc.
2013-05-02
David van der Spoel
Fixes #1238 g_hydorder does not call set_pbc.
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2013-03-07
David van der Spoel
Fixes #1183 PBC bug in g_mindist
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2013-02-13
David van der Spoel
Plain text quotes.
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2013-01-11
David van der Spoel
Fixes #994 confusion in atomprop.
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2012-11-26
David van der Spoel
Fixes #1035 NaN in g_cluster output.
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2012-11-20
David van der Spoel
Fixes bug in g_hbond that makes it produce fatal error.
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2012-11-12
David van der Spoel
Fixes #1020 options in g_enemat
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2012-10-21
David van der Spoel
Fixed Bug #593 about memory hole in trjcat.
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2012-10-04
David van der Spoel
Set return value to FALSE (0) in estimate_dt in libxdrf.c
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2012-09-15
David van der Spoel
Merge "Adapted NMR related data to new pdb format....
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2012-09-07
David van der Spoel
Adapted NMR related data to new pdb format.
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2012-09-04
David van der Spoel
Made tutorial slightly less confusing.
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2012-08-16
David van der Spoel
Optional computation of fluct. props in g_energy. Fixes...
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2012-06-30
David van der Spoel
Fixed bug in free energy calculation for Morse potentials
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2012-06-21
David van der Spoel
Fixes #961 - Shake reports wrong error
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2012-06-16
David van der Spoel
Fixes #882 - looping bug in trxio.c
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2012-03-17
David van der Spoel
Removed qhop files from this branch.
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2012-03-10
David van der Spoel
Vibration spectra from velocity ACF or Normal modes.
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2012-01-31
David van der Spoel
Changed order of parameters in top file
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2012-01-25
David van der Spoel
Added two new bonded functions.
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2012-01-17
David van der Spoel
Replace stderr by stdout in editconf terminal output...
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2012-01-04
David van der Spoel
Introduced fatal error in grompp for incorrect use...
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2011-09-21
David van der Spoel
Commented out part of this new program that was not...
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2011-09-21
David van der Spoel
Fixed documentation issue described in redmine issue...
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2011-09-21
David van der Spoel
Fixed documentation issue described in redmine issue...
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2011-09-19
David van der Spoel
Fixed compilation issues
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2011-09-19
David van der Spoel
Resolved gerrit issue https://gerrit.gromacs.org/#change,126
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2011-05-23
David van der Spoel
Re-implemented the fluctuation analysis, based on Enthalpy...
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2011-04-10
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-10
David van der Spoel
Added g_hydorder.1 man page.
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2011-04-06
David van der Spoel
Fixed header for gmx_conect_init
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2011-04-04
David van der Spoel
New entry
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2011-01-22
David van der Spoel
Fixed bug 678 which was due to calling gmx_fatal without...
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2010-12-23
David van der Spoel
Fixed bug in statistics which did not allow fitting...
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2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-12-11
David van der Spoel
Added 1 quote.
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2010-11-28
David van der Spoel
Fixed bugzilla 616 about formatting in the help text.
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2010-11-18
David van der Spoel
Made printing in check_multi_init conditional, depending...
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2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-28
David van der Spoel
Re-added g_kinetics to src/tools/Makefile.am
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2010-09-24
David van der Spoel
Updated to reflect bug 557.
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2010-09-16
David van der Spoel
Corrected name of one of the developers listed in header.
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2010-09-14
David van der Spoel
Fixed bug 553 by checking whether an atom name is longer...
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2010-09-12
David van der Spoel
Fixed demo to work with new pdb2gmx that requires two...
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2010-08-25
David van der Spoel
Made genrestr -constr to produce constraints of type...
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2010-08-22
David van der Spoel
Fixed bug 417.
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2010-08-19
David van der Spoel
Fixes more misery in function skipstr, where pointers...
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2010-08-19
David van der Spoel
Added two missing include files. Fixed horrible coding...
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2010-08-04
David van der Spoel
Fixed reuse of variable as temp variable before printing...
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2010-08-03
David van der Spoel
Fixed bug 487 according to provided patch.
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2010-08-03
David van der Spoel
Fixed documentation text according to bugzilla 486
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2010-08-01
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-01
David van der Spoel
Moved pdb2top.h from src/kernel to include to allow...
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2010-07-31
David van der Spoel
Renamed typename to my_typename in index.c since typename...
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2010-07-15
David van der Spoel
Fixed compilation issue corresponding to bug 468
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2010-07-13
David van der Spoel
Fixed bug 466 by commenting out the offending lines...
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2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-08
David van der Spoel
Added bondedtypes section to rtp files. It might be...
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2010-07-03
David van der Spoel
Fixed include statements such that double precision...
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Made removing pbc non-static. This affects many analysis...
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Fixed bug http://bugzilla.gromacs.org/show_bug.cgi...
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2010-06-30
David van der Spoel
Fixed http://bugzilla.gromacs.org/show_bug.cgi?id=457...
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2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-30
David van der Spoel
Fixed bug in b-factors output by g_confrms. They were...
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2010-06-27
David van der Spoel
Added missing argument step to trotter_update. How...
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2010-06-27
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-27
David van der Spoel
Updated CMakeLists.txt in ngmx directory to exclude...
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2010-06-27
David van der Spoel
Fixed many issues regarding to compilation with C+...
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2010-06-18
David van der Spoel
Fixed Makefile.am leading to warnings.
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2010-06-14
David van der Spoel
Fixed make_edi.c
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2010-06-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-14
David van der Spoel
Added more fixes in comment texts, generously provided...
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2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and documentation...
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2010-06-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-11
David van der Spoel
Fixed force field files for ATP in order to clear bug
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2010-06-10
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-10
David van der Spoel
Made legend more or less work in g_chi. Don't know...
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2010-06-10
David van der Spoel
Fixed SEGV in g_chi as described in bug 430.
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2010-06-10
David van der Spoel
Added option -nopbc to g_rmsdist in order to fix
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2010-06-10
David van der Spoel
Pedantic change in the check whether a filename is...
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2010-06-10
David van der Spoel
Renamed some programs to follow the g_ doctrine: luck...
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2010-06-10
David van der Spoel
Cleaned up and renamed files in ngmx directory to better...
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2010-06-10
David van der Spoel
Renamed some files in a roundabout way to adhere to...
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2010-06-10
David van der Spoel
Removed average.c, that functionality is now in g_analyze.
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2010-06-10
David van der Spoel
Fixed strange typo in gmx_dih.c
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2010-06-06
David van der Spoel
Moved warning message in add_atomtype to be printed...
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2010-06-03
David van der Spoel
Made x2top (very) slightly functional again. Still...
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2010-06-02
David van der Spoel
Changed error message for settle problems, such that...
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2010-06-02
David van der Spoel
Added explicit angle in ACE declaration in gromacs...
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2010-06-02
David van der Spoel
Fixed type in gmx_morph.c: efTRO -> efTRX which lead...
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2010-06-02
David van der Spoel
Fixed bug 396. In fact it was already fixed partly.
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2010-05-25
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-25
David van der Spoel
Added one more!
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2010-05-21
David van der Spoel
Fixed compilation warnings and removed spurious C+...
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2010-05-20
David van der Spoel
Made g_analyze compile again, but ot link yet.
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2010-05-19
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-19
David van der Spoel
Added check in read_pdb for existence of t_resinfo...
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