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Updated
Target version
1524
GROMACS
Feature
Closed
Low
More uniform options to programs.
David van der Spoel
08/17/2016 02:25 PM
1498
GROMACS
Feature
New
Low
g_dipoles does not work properly with ionic systems
David van der Spoel
07/11/2016 08:11 PM
1473
GROMACS
Bug
Closed
Normal
gmx energy -driftcorr broken.
David van der Spoel
07/11/2016 07:48 PM
1377
GROMACS
Feature
Feedback wanted
Low
Replica exchange if replicas not in ascendent T
David van der Spoel
06/23/2016 03:48 PM
1354
GROMACS
Bug
New
Normal
Constant acceleration NEMD is broken.
David van der Spoel
01/09/2019 04:42 PM
1272
GROMACS
Bug
Closed
Normal
Energy minimization with domain decomposition crashes
Berk Hess
06/16/2015 11:50 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
741
GROMACS
Bug
Closed
Normal
tpbconv can not read cpt file
Berk Hess
06/29/2011 06:27 AM
713
GROMACS
Bug
Closed
Normal
MD with polarization does not work in parallel
David van der Spoel
01/04/2012 01:21 PM
1863
GROMACS
Feature
Closed
Normal
write tng files with velocities from mdrun
Magnus Lundborg
07/11/2016 08:01 PM
GROMACS - 2016
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
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
2036
GROMACS
Feature
Closed
Normal
gmx solvate should work with molecules
08/23/2016 03:25 PM
GROMACS - 2018
2444
GROMACS
Bug
Rejected
Normal
Eneergy minimization crashes due to vsites
David van der Spoel
03/13/2018 02:03 PM
GROMACS - 2018.1
63
GROMACS
Bug
Closed
High
eneconv produces NaN
David van der Spoel
08/21/2006 01:09 PM
GROMACS - 3.3
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
181
GROMACS
Bug
Closed
Normal
Pressure scaling distorts dodecahedron boxes
Erik Lindahl
02/18/2016 11:59 PM
GROMACS - 3.3.1
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
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