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Updated
Target version
2815
GROMACS
Bug
Closed
Normal
gmx msd -mol broken
David van der Spoel
12/26/2018 11:39 AM
GROMACS - 2020
2844
GROMACS
Bug
Closed
High
Test SEGV with -DGMX_DOUBLE due to LAPACK
David van der Spoel
02/05/2019 07:01 PM
GROMACS - 2020
3375
GROMACS
Bug
Closed
Normal
Orires consistency check too strict
David van der Spoel
02/21/2020 08:14 AM
GROMACS - 2019.6
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
3386
GROMACS
Bug
Closed
Normal
gmx disre crashed when number of pairs larger than number of restraints
David van der Spoel
02/18/2020 10:17 PM
GROMACS - 2019.6
2774
GROMACS
Feature
New
Normal
Refactor shell code into its own integrator
David van der Spoel
12/27/2019 04:05 PM
GROMACS - 2021
713
GROMACS
Bug
Closed
Normal
MD with polarization does not work in parallel
David van der Spoel
01/04/2012 01:21 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
1354
GROMACS
Bug
New
Normal
Constant acceleration NEMD is broken.
David van der Spoel
01/09/2019 04:42 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
1473
GROMACS
Bug
Closed
Normal
gmx energy -driftcorr broken.
David van der Spoel
07/11/2016 07:48 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
1524
GROMACS
Feature
Closed
Low
More uniform options to programs.
David van der Spoel
08/17/2016 02:25 PM
1592
GROMACS
Bug
Rejected
Low
Manual of trjconv is unclear about precision.
David van der Spoel
06/22/2015 06:13 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
1837
GROMACS
Feature
Closed
High
Design of new table classes
David van der Spoel
03/17/2018 12:31 AM
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
2052
GROMACS
Bug
New
Low
trjconv does not recognize periodic molecules
David van der Spoel
01/12/2018 11:05 AM
2119
GROMACS
Bug
Closed
Normal
gmx solvate -shell does not add anything
David van der Spoel
12/11/2017 12:17 PM
2451
GROMACS
Feature
Resolved
Normal
Linear virtual sites with fixed distance
David van der Spoel
09/16/2019 01:15 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
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
2444
GROMACS
Bug
Rejected
Normal
Eneergy minimization crashes due to vsites
David van der Spoel
03/13/2018 02:03 PM
GROMACS - 2018.1
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
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