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Updated
Target version
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
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
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
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
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
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
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
206
GROMACS
Bug
Closed
Normal
Protein atom naming in pdb files incorrect
David van der Spoel
10/08/2008 02:38 AM
GROMACS - CVS
103
GROMACS
Bug
Closed
High
Possible problems in g_sas
David van der Spoel
09/21/2007 02:02 PM
GROMACS - 3.3.1
85
GROMACS
Bug
Closed
High
mdrun with PME gives different results with MPI
David van der Spoel
09/11/2007 12:07 PM
GROMACS - 3.3.1
80
GROMACS
Bug
Closed
High
bug in avcsix calculation for dispersion correction
David van der Spoel
05/11/2006 08:43 AM
GROMACS - 3.3.1
71
GROMACS
Bug
Closed
High
grompp takes excessive time for large systems
David van der Spoel
07/21/2007 03:11 PM
GROMACS - 3.3.1
69
GROMACS
Bug
Closed
High
x2top improvements
David van der Spoel
08/20/2006 02:43 PM
GROMACS - 3.3.1
67
GROMACS
Bug
Closed
High
g_rdf has GROMOS atom names hardocoded
David van der Spoel
08/21/2006 01:28 PM
GROMACS - 3.3.1
66
GROMACS
Bug
Closed
High
graph problem with distance restraints
David van der Spoel
04/14/2007 03:24 PM
GROMACS - 3.3.1
63
GROMACS
Bug
Closed
High
eneconv produces NaN
David van der Spoel
08/21/2006 01:09 PM
GROMACS - 3.3
60
GROMACS
Bug
Closed
High
genion mixes up ions
David van der Spoel
03/30/2006 10:28 AM
GROMACS - CVS
53
GROMACS
Bug
Closed
High
Angle definitions maybe wrong in g_chi
David van der Spoel
04/02/2006 05:11 PM
GROMACS - 3.3
50
GROMACS
Bug
Closed
High
grompp -check14 SEGVs
David van der Spoel
02/28/2006 09:51 AM
GROMACS - 3.3
45
GROMACS
Bug
Closed
High
pdb2gmx crashes when force field files in workdir
David van der Spoel
02/28/2006 01:58 PM
GROMACS - 3.3
7
GROMACS
Bug
Closed
High
Environment variable IAMCOOL crashes program luck
David van der Spoel
09/05/2005 05:39 PM
GROMACS - 3.3_rc1
2071
GROMACS
Task
In Progress
High
Low accuracy default settings yield incorrect liquid densities
Berk Hess
01/05/2018 03:32 PM
1343
GROMACS
Bug
Closed
Normal
vsiten particles are not integrated
Berk Hess
09/29/2013 03:53 PM
GROMACS - 5.0
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