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Project
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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
2036
GROMACS
Feature
Closed
Normal
gmx solvate should work with molecules
08/23/2016 03:25 PM
GROMACS - 2018
1854
GROMACS
Feature
New
Normal
Remove all cyclic dependencies
05/25/2017 08:34 AM
1170
GROMACS
Task
New
Normal
mdlib reorganization
11/17/2016 03:47 PM
GROMACS - future
847
GROMACS
Bug
Rejected
Normal
tpbconv with index file can produce incorrect tpr files
12/29/2012 12:18 AM
GROMACS - 4.6
620
GROMACS
Bug
Closed
Normal
Total dipole in energy files is incorrect
12/28/2012 08:15 PM
GROMACS - 4.6
1343
GROMACS
Bug
Closed
Normal
vsiten particles are not integrated
Berk Hess
09/29/2013 03:53 PM
GROMACS - 5.0
1272
GROMACS
Bug
Closed
Normal
Energy minimization with domain decomposition crashes
Berk Hess
06/16/2015 11:50 PM
901
GROMACS
Bug
Closed
Normal
Dispersion correction incorrect with energy minimization
Berk Hess
04/26/2012 08:27 PM
GROMACS - 4.5.6
741
GROMACS
Bug
Closed
Normal
tpbconv can not read cpt file
Berk Hess
06/29/2011 06:27 AM
274
GROMACS
Bug
Closed
Normal
Crashes in mdrun with DD code, not sequential
Berk Hess
01/06/2009 03:35 PM
GROMACS - 4.0_rc1
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
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
3375
GROMACS
Bug
Closed
Normal
Orires consistency check too strict
David van der Spoel
02/21/2020 08:14 AM
GROMACS - 2019.6
2866
GROMACS
Feature
New
Normal
Alternative non-bonded potentials
David van der Spoel
03/05/2019 03:50 PM
GROMACS - future
2815
GROMACS
Bug
Closed
Normal
gmx msd -mol broken
David van der Spoel
12/26/2018 11:39 AM
GROMACS - 2020
2774
GROMACS
Feature
New
Normal
Refactor shell code into its own integrator
David van der Spoel
12/27/2019 04:05 PM
GROMACS - 2021
2641
GROMACS
Bug
Closed
Normal
Possible l-bfgs improvements
David van der Spoel
04/05/2019 04:27 PM
GROMACS - 2019.2
2545
GROMACS
Feature
New
Normal
Should grompp fix periodicity of input files?
David van der Spoel
10/03/2018 11:32 PM
GROMACS - future
2544
GROMACS
Bug
New
Normal
gmx rmsf does not fix periodicity in reference structure
David van der Spoel
08/21/2018 10:36 AM
GROMACS - future
2451
GROMACS
Feature
Resolved
Normal
Linear virtual sites with fixed distance
David van der Spoel
09/16/2019 01:15 PM
2444
GROMACS
Bug
Rejected
Normal
Eneergy minimization crashes due to vsites
David van der Spoel
03/13/2018 02:03 PM
GROMACS - 2018.1
2119
GROMACS
Bug
Closed
Normal
gmx solvate -shell does not add anything
David van der Spoel
12/11/2017 12:17 PM
2034
GROMACS
Feature
New
Normal
Unit tests for bonded forces
David van der Spoel
06/29/2019 10:22 AM
GROMACS - future
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