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Updated
Target version
743
GROMACS
Bug
Closed
Normal
Angular momentum removal incorrect
David van der Spoel
03/05/2012 11:27 AM
GROMACS - 4.5.6
713
GROMACS
Bug
Closed
Normal
MD with polarization does not work in parallel
David van der Spoel
01/04/2012 01:21 PM
741
GROMACS
Bug
Closed
Normal
tpbconv can not read cpt file
Berk Hess
06/29/2011 06:27 AM
608
GROMACS
Bug
Closed
Normal
Molecules with large charge groups give wrong neighborlist
David van der Spoel
11/02/2010 06:18 PM
GROMACS - 4.0.7
579
GROMACS
Bug
Closed
Normal
nstcalcenergy = -1 leads to wrong pressure
Erik Lindahl
10/05/2010 12:43 PM
GROMACS - 4.5.1
564
GROMACS
Bug
Closed
Normal
g_dipoles has a memory hole
David van der Spoel
09/20/2010 01:51 PM
GROMACS - 4.5.1
440
GROMACS
Bug
Closed
Normal
Double precision man pages are installed as program_d.1
David van der Spoel
09/01/2010 10:22 PM
GROMACS - CVS
523
GROMACS
Bug
Closed
Normal
g_rms gives nonsense values when the number of atoms differs between tpr and xtc
David van der Spoel
08/31/2010 12:06 PM
GROMACS - CVS
520
GROMACS
Bug
Closed
Normal
Editconf with index can not do other things
David van der Spoel
08/31/2010 10:42 AM
GROMACS - CVS
434
GROMACS
Bug
Closed
Normal
pdb2gmx opens all rtp files
Erik Lindahl
06/14/2010 03:42 PM
GROMACS - CVS
274
GROMACS
Bug
Closed
Normal
Crashes in mdrun with DD code, not sequential
Berk Hess
01/06/2009 03:35 PM
GROMACS - 4.0_rc1
224
GROMACS
Bug
Closed
Normal
grompp does not process encads topologies correctly
Erik Lindahl
10/08/2008 05:40 PM
GROMACS - 4.0_rc1
214
GROMACS
Bug
Closed
Normal
Configure fails in 64 bit
Erik Lindahl
10/08/2008 07:11 AM
GROMACS - 4.0_rc1
206
GROMACS
Bug
Closed
Normal
Protein atom naming in pdb files incorrect
David van der Spoel
10/08/2008 02:38 AM
GROMACS - CVS
2011
GROMACS
Bug
Closed
Low
gmx clustsize -mol ignores index file
David van der Spoel
12/31/2017 05:00 PM
2019
GROMACS
Bug
Closed
Low
gmx velacc lacking documentation
David van der Spoel
12/14/2017 10:27 PM
2272
GROMACS
Feature
Closed
Low
pdb2gmx does not accept tips3p as a water model
David van der Spoel
11/28/2017 05:59 PM
GROMACS - 2018
1524
GROMACS
Feature
Closed
Low
More uniform options to programs.
David van der Spoel
08/17/2016 02:25 PM
846
GROMACS
Feature
Closed
Low
Warning messages should be added to programs reducing the precision of coordinates/velocities etc.
David van der Spoel
07/11/2016 08:44 PM
879
GROMACS
Feature
Closed
Low
Normal modes with vsites and/or shells does not work
David van der Spoel
07/11/2016 08:28 PM
GROMACS - 2016
1564
GROMACS
Feature
Closed
Low
g_gyrate help text and manual is confusing
David van der Spoel
07/11/2016 07:47 PM
GROMACS - 5.0.7
1345
GROMACS
Task
Closed
Low
Charmm - CMAP weirdness in grompp
Erik Lindahl
07/15/2014 06:42 AM
GROMACS - 5.0
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