Commits · v4.5.7 · googyer / GROMACS · GitLab

Apr 19, 2013
- 4.5.7 release · e28dc810
  Mark Abraham authored Apr 19, 2013
  View commits for tag v4.5.7 v4.5.7
  e28dc810
- Merge "Some changes for md-vv extracted from 4.6" into release-4-5-patches · 2e0b3af2
  Mark Abraham authored Apr 19, 2013
  
  2e0b3af2
- Some changes for md-vv extracted from 4.6 · b77fa706
  Michael Shirts authored Jan 17, 2013 and Mark Abraham committed Apr 19, 2013
  b77fa706
Apr 10, 2013
- Fix another bug in selection subexpression handling. · 3a0803da
  Teemu Murtola authored Apr 10, 2013
  3a0803da
- Fix bug in selection subexpression handling. · a301d73c
  Teemu Murtola authored Apr 10, 2013
  a301d73c
Mar 07, 2013
- Fixes #1183 PBC bug in g_mindist · 90abdcf9
  David van der Spoel authored Mar 07, 2013
  90abdcf9
Feb 15, 2013
- Bump shared object version to 7 · 78bdf4a2
  Mark Abraham authored Feb 15, 2013
  78bdf4a2
Feb 13, 2013
- Plain text quotes. · 2b05689c
  David van der Spoel authored Dec 15, 2012
  2b05689c
Jan 24, 2013
- fix invalid read in construct_vsites · 16628c7d
  Han Wang authored Jan 23, 2013 and Christoph Junghans committed Jan 24, 2013
  16628c7d
Jan 19, 2013
- Add fftpack to EXTRA_DIST · a08a57cf
  Roland Schulz authored Jan 19, 2013
  a08a57cf
- Release 4.5.6 · 10b109be
  Roland Schulz authored Jan 18, 2013
  View commits for tag v4.5.6 v4.5.6
  10b109be
Jan 18, 2013
- Fix reading of g96 title · 2bb71183
  Roland Schulz authored Jan 18, 2013
  2bb71183
Jan 17, 2013
- Merge "Fix trjconv -sub with .trr files" into release-4-5-patches · bd276b34
  Mark Abraham authored Jan 17, 2013
  
  bd276b34
- Merge "Added check for valid wall_atomtype in .mdp" into release-4-5-patches · ea590d49
  Roland Schulz authored Jan 17, 2013
  
  ea590d49
- Fix trjconv -sub with .trr files · 372187d7
  Mark Abraham authored Jan 15, 2013
  372187d7
Jan 15, 2013
- Added check for valid wall_atomtype in .mdp · 286575f0
  Mark Abraham authored Jan 15, 2013
  286575f0
- Merge "Added fatal error for constraints + L-BFGS minimizer" into release-4-5-patches · 22f9fef4
  Christoph Junghans authored Jan 15, 2013
  
  22f9fef4
- Velocity-verlet integrators and v-rescale are broken · 5f1fd720
  Mark Abraham authored Jan 14, 2013
  5f1fd720
Jan 14, 2013
- Added fatal error for constraints + L-BFGS minimizer · 1f387a48
  Mark Abraham authored Jan 15, 2013
  1f387a48
- Merge "Fixing trjconv -sub" into release-4-5-patches · 0f5e70fd
  David van der Spoel authored Jan 14, 2013
  
  0f5e70fd
- Merge "Noting that and why gmxdump -s -sys is broken" into release-4-5-patches · 8cf620f0
  David van der Spoel authored Jan 14, 2013
  
  8cf620f0
Jan 13, 2013
- Updated code checks with distance restraints · 64600020
  Mark Abraham authored Jan 14, 2013
  64600020
- Fixing trjconv -sub · b4bd4cbe
  Mark Abraham authored Oct 03, 2012
  b4bd4cbe
- Noting that and why gmxdump -s -sys is broken · ced146e9
  Mark Abraham authored Jan 13, 2013
  ced146e9
Jan 07, 2013
- Merge "Print out atom numbers in g_rmsf" into release-4-5-patches · e86b3a39
  Roland Schulz authored Jan 07, 2013
  
  e86b3a39
Dec 30, 2012
- Remove superfluous memory allocation. · 0a612e73
  Teemu Murtola authored Dec 30, 2012
  0a612e73
Dec 10, 2012
- Minor spelling&header fixes for various man pages · 8815c4fe
  Nicholas Breen authored Dec 03, 2012 and Christoph Junghans committed Dec 10, 2012
  8815c4fe
Nov 26, 2012
- Merge "Use stat for gmx_is_file. Fix get_libdir with symlinks." into release-4-5-patches · ec45e222
  Erik Lindahl authored Nov 26, 2012
  
  ec45e222
- Fixes #1035 NaN in g_cluster output. · a973d598
  David van der Spoel authored Nov 26, 2012
  a973d598
Nov 24, 2012
- Use stat for gmx_is_file. Fix get_libdir with symlinks. · 5c10ad3b
  Roland Schulz authored Nov 24, 2012
  5c10ad3b
Nov 20, 2012
- Merge "Fixes bug in g_hbond that makes it produce fatal error." into release-4-5-patches · c4e8df22
  Christoph Junghans authored Nov 20, 2012
  
  c4e8df22
- Fixes bug in g_hbond that makes it produce fatal error. · 369ea4fb
  David van der Spoel authored Nov 20, 2012
  369ea4fb
- Fix CXX/C mismatch of flag/macro for gmxCFlags · f187738e
  Roland Schulz authored Nov 19, 2012
  f187738e
Nov 06, 2012
- Made g_tune_pme work correctly when ir->init_step > 0 · ff5db8c2
  Carsten authored Nov 06, 2012
  ff5db8c2
Oct 27, 2012
- Set HAVE_FSEEKO consistently in one place · b28537eb
  Roland Schulz authored Oct 27, 2012
  b28537eb
- Merge "Fix large file support" into release-4-5-patches · dda5e420
  Christoph Junghans authored Oct 27, 2012
  
  dda5e420
Oct 26, 2012
- Merge "Fixed Pulp Fiction quote" into release-4-5-patches · 79d9ba5d
  David van der Spoel authored Oct 26, 2012
  
  79d9ba5d
Oct 21, 2012
- Fixed Bug #593 about memory hole in trjcat. · c96a340c
  David van der Spoel authored Oct 21, 2012
  c96a340c
Oct 19, 2012
- Fix large file support · 21334fce
  Roland Schulz authored Oct 19, 2012
  21334fce
Oct 17, 2012
- Fixed Pulp Fiction quote · 3ccf2204
  Roland Schulz authored Oct 17, 2012
  3ccf2204