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Updated
Target version
1630
GROMACS
Bug
Closed
Normal
grompp allows to specify vdwtype = PME and dispcorr != no
David van der Spoel
10/24/2014 02:32 PM
GROMACS - 5.0.3
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
1498
GROMACS
Feature
New
Low
g_dipoles does not work properly with ionic systems
David van der Spoel
07/11/2016 08:11 PM
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
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
972
GROMACS
Bug
Closed
Normal
g_hbond crashes with openmp and -ac
David van der Spoel
11/11/2012 02:01 PM
GROMACS - 4.5.6
1183
GROMACS
Bug
Closed
Normal
g_mindist -pi bug with triclinic boxes
David van der Spoel
12/16/2013 05:40 PM
GROMACS - 4.5.7
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
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
3384
GROMACS
Bug
Closed
Normal
Inconsisten labels in distance restraints can crash gmx disre
David van der Spoel
02/24/2020 03:36 PM
GROMACS - 2019.6
2451
GROMACS
Feature
Resolved
Normal
Linear virtual sites with fixed distance
David van der Spoel
09/16/2019 01:15 PM
1859
GROMACS
Bug
Closed
Normal
make_ndx does not work
David van der Spoel
01/12/2016 04:23 PM
GROMACS - 5.1.2
1592
GROMACS
Bug
Rejected
Low
Manual of trjconv is unclear about precision.
David van der Spoel
06/22/2015 06:13 AM
713
GROMACS
Bug
Closed
Normal
MD with polarization does not work in parallel
David van der Spoel
01/04/2012 01:21 PM
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
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
1524
GROMACS
Feature
Closed
Low
More uniform options to programs.
David van der Spoel
08/17/2016 02:25 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
3375
GROMACS
Bug
Closed
Normal
Orires consistency check too strict
David van der Spoel
02/21/2020 08:14 AM
GROMACS - 2019.6
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
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
2641
GROMACS
Bug
Closed
Normal
Possible l-bfgs improvements
David van der Spoel
04/05/2019 04:27 PM
GROMACS - 2019.2
103
GROMACS
Bug
Closed
High
Possible problems in g_sas
David van der Spoel
09/21/2007 02:02 PM
GROMACS - 3.3.1
206
GROMACS
Bug
Closed
Normal
Protein atom naming in pdb files incorrect
David van der Spoel
10/08/2008 02:38 AM
GROMACS - CVS
2774
GROMACS
Feature
New
Normal
Refactor shell code into its own integrator
David van der Spoel
12/27/2019 04:05 PM
GROMACS - 2021
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