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Project
Tracker
Status
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Subject
Assignee
Updated
Target version
2068
GROMACS
Feature
New
Normal
Access to low level classes
03/02/2019 01:37 AM
GROMACS - future
2060
GROMACS
Feature
New
Normal
Convert enum to enum class
10/17/2016 05:27 PM
2052
GROMACS
Bug
New
Low
trjconv does not recognize periodic molecules
David van der Spoel
01/12/2018 11:05 AM
2036
GROMACS
Feature
Closed
Normal
gmx solvate should work with molecules
08/23/2016 03:25 PM
GROMACS - 2018
2034
GROMACS
Feature
New
Normal
Unit tests for bonded forces
David van der Spoel
06/29/2019 10:22 AM
GROMACS - future
2019
GROMACS
Bug
Closed
Low
gmx velacc lacking documentation
David van der Spoel
12/14/2017 10:27 PM
2011
GROMACS
Bug
Closed
Low
gmx clustsize -mol ignores index file
David van der Spoel
12/31/2017 05:00 PM
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
1884
GROMACS
Bug
Closed
Normal
gmx_output_env_t not visible from trajectoryanalysis modules
David van der Spoel
12/28/2015 06:16 PM
GROMACS - 5.1.2
1864
GROMACS
Feature
New
Normal
write tng files with energies
Magnus Lundborg
07/11/2016 08:00 PM
1863
GROMACS
Feature
Closed
Normal
write tng files with velocities from mdrun
Magnus Lundborg
07/11/2016 08:01 PM
GROMACS - 2016
1860
GROMACS
Bug
Closed
Normal
convert-tpr messes up gmx_mtop_t structure
David van der Spoel
11/24/2015 06:22 PM
GROMACS - 5.1.2
1859
GROMACS
Bug
Closed
Normal
make_ndx does not work
David van der Spoel
01/12/2016 04:23 PM
GROMACS - 5.1.2
1854
GROMACS
Feature
New
Normal
Remove all cyclic dependencies
05/25/2017 08:34 AM
1837
GROMACS
Feature
Closed
High
Design of new table classes
David van der Spoel
03/17/2018 12:31 AM
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
1645
GROMACS
Bug
Closed
Normal
Difference in energy with Verlet scheme due to PME dipole correction
David van der Spoel
06/22/2015 06:03 PM
GROMACS - 4.6.8
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
1592
GROMACS
Bug
Rejected
Low
Manual of trjconv is unclear about precision.
David van der Spoel
06/22/2015 06:13 AM
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
1524
GROMACS
Feature
Closed
Low
More uniform options to programs.
David van der Spoel
08/17/2016 02:25 PM
1510
GROMACS
Bug
Closed
Normal
gmx check and gmx dump do not work for tng files
Magnus Lundborg
07/15/2014 06:45 AM
GROMACS - 5.0
1502
GROMACS
Bug
Closed
Normal
trjconv incorrect tng defaults
Magnus Lundborg
06/05/2014 04:48 PM
GROMACS - 5.0
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
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