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Project
Tracker
Status
Priority
Subject
Assignee
Updated
Target version
2931
GROMACS
Feature
New
Normal
Tables in Verlet kernels
04/29/2019 12:01 PM
2862
GROMACS
Bug
Closed
Normal
Division by zero in restrained dihedrals
02/28/2020 09:13 AM
GROMACS - 2020.1
2843
GROMACS
Bug
Closed
Normal
Building with GMX_BUILD_OWN_FFTW
01/28/2019 04:38 PM
GROMACS - 2020
2795
GROMACS
Task
New
Normal
Incorporate regressiontests into core gromacs
12/02/2019 01:44 PM
GROMACS - 2021-infrastructure-stable
2771
GROMACS
Task
New
Normal
Size independent Hessian for normal mode analysis
12/28/2019 10:50 AM
GROMACS - future
2720
GROMACS
Bug
Closed
Normal
Normal-mode analysis with vsites or shells works for first molecule of each type only
11/28/2018 03:33 PM
2568
GROMACS
Bug
New
Low
gmx editconf -rotate does not rotate the box
07/10/2018 10:27 AM
GROMACS - future
2132
GROMACS
Feature
New
Normal
Intermediate code for xvg handling
03/08/2017 05:12 PM
GROMACS - future
2111
GROMACS
Feature
In Progress
Normal
Implement Gaussian screening of electrostatics
02/23/2019 12:33 PM
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
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
620
GROMACS
Bug
Closed
Normal
Total dipole in energy files is incorrect
12/28/2012 08:15 PM
GROMACS - 4.6
2071
GROMACS
Task
In Progress
High
Low accuracy default settings yield incorrect liquid densities
Berk Hess
01/05/2018 03:32 PM
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
900
GROMACS
Bug
Closed
High
crash in OpenMP code.
Berk Hess
06/23/2012 06:46 PM
GROMACS - 4.6
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
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