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Project
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Subject
Assignee
Updated
Target version
2052
GROMACS
Bug
New
Low
trjconv does not recognize periodic molecules
David van der Spoel
01/12/2018 11:05 AM
2071
GROMACS
Task
In Progress
High
Low accuracy default settings yield incorrect liquid densities
Berk Hess
01/05/2018 03:32 PM
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
2119
GROMACS
Bug
Closed
Normal
gmx solvate -shell does not add anything
David van der Spoel
12/11/2017 12:17 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
1854
GROMACS
Feature
New
Normal
Remove all cyclic dependencies
05/25/2017 08:34 AM
2132
GROMACS
Feature
New
Normal
Intermediate code for xvg handling
03/08/2017 05:12 PM
GROMACS - future
720
GROMACS
Feature
Accepted
Low
permit pdb2gmx to choose a kind of HIS based on proton position
11/17/2016 03:51 PM
GROMACS - future
1170
GROMACS
Task
New
Normal
mdlib reorganization
11/17/2016 03:47 PM
GROMACS - future
2060
GROMACS
Feature
New
Normal
Convert enum to enum class
10/17/2016 05:27 PM
2036
GROMACS
Feature
Closed
Normal
gmx solvate should work with molecules
08/23/2016 03:25 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
1791
GROMACS
Bug
Closed
Normal
Spurious interactions that should not be there / Table routines work with 1/r leading to NaN.
David van der Spoel
07/11/2016 08:34 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
1498
GROMACS
Feature
New
Low
g_dipoles does not work properly with ionic systems
David van der Spoel
07/11/2016 08:11 PM
1863
GROMACS
Feature
Closed
Normal
write tng files with velocities from mdrun
Magnus Lundborg
07/11/2016 08:01 PM
GROMACS - 2016
1864
GROMACS
Feature
New
Normal
write tng files with energies
Magnus Lundborg
07/11/2016 08:00 PM
1473
GROMACS
Bug
Closed
Normal
gmx energy -driftcorr broken.
David van der Spoel
07/11/2016 07:48 PM
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
1996
GROMACS
Bug
Closed
Normal
gmx dos does not work at all
David van der Spoel
06/27/2016 07:27 PM
GROMACS - 5.1.3
1377
GROMACS
Feature
Feedback wanted
Low
Replica exchange if replicas not in ascendent T
David van der Spoel
06/23/2016 03:48 PM
181
GROMACS
Bug
Closed
Normal
Pressure scaling distorts dodecahedron boxes
Erik Lindahl
02/18/2016 11:59 PM
GROMACS - 3.3.1
1859
GROMACS
Bug
Closed
Normal
make_ndx does not work
David van der Spoel
01/12/2016 04:23 PM
GROMACS - 5.1.2
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