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Updated
Target version
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
3049
GROMACS
Bug
New
Low
gmx nmeig should plot a real infrared spectrum
David van der Spoel
09/24/2019 03:25 PM
GROMACS - future
2931
GROMACS
Feature
New
Normal
Tables in Verlet kernels
04/29/2019 12:01 PM
2866
GROMACS
Feature
New
Normal
Alternative non-bonded potentials
David van der Spoel
03/05/2019 03:50 PM
GROMACS - future
2862
GROMACS
Bug
Closed
Normal
Division by zero in restrained dihedrals
02/28/2020 09:13 AM
GROMACS - 2020.1
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
2843
GROMACS
Bug
Closed
Normal
Building with GMX_BUILD_OWN_FFTW
01/28/2019 04:38 PM
GROMACS - 2020
2815
GROMACS
Bug
Closed
Normal
gmx msd -mol broken
David van der Spoel
12/26/2018 11:39 AM
GROMACS - 2020
2795
GROMACS
Task
New
Normal
Incorporate regressiontests into core gromacs
12/02/2019 01:44 PM
GROMACS - 2021-infrastructure-stable
2774
GROMACS
Feature
New
Normal
Refactor shell code into its own integrator
David van der Spoel
12/27/2019 04:05 PM
GROMACS - 2021
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
2641
GROMACS
Bug
Closed
Normal
Possible l-bfgs improvements
David van der Spoel
04/05/2019 04:27 PM
GROMACS - 2019.2
2568
GROMACS
Bug
New
Low
gmx editconf -rotate does not rotate the box
07/10/2018 10:27 AM
GROMACS - future
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
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
2132
GROMACS
Feature
New
Normal
Intermediate code for xvg handling
03/08/2017 05:12 PM
GROMACS - future
2119
GROMACS
Bug
Closed
Normal
gmx solvate -shell does not add anything
David van der Spoel
12/11/2017 12:17 PM
2111
GROMACS
Feature
In Progress
Normal
Implement Gaussian screening of electrostatics
02/23/2019 12:33 PM
2071
GROMACS
Task
In Progress
High
Low accuracy default settings yield incorrect liquid densities
Berk Hess
01/05/2018 03:32 PM
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