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Project
Tracker
Status
Priority
Subject
Assignee
Updated
Target version
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
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
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
2132
GROMACS
Feature
New
Normal
Intermediate code for xvg handling
03/08/2017 05:12 PM
GROMACS - future
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
2034
GROMACS
Feature
New
Normal
Unit tests for bonded forces
David van der Spoel
06/29/2019 10:22 AM
GROMACS - future
1864
GROMACS
Feature
New
Normal
write tng files with energies
Magnus Lundborg
07/11/2016 08:00 PM
1854
GROMACS
Feature
New
Normal
Remove all cyclic dependencies
05/25/2017 08:34 AM
1498
GROMACS
Feature
New
Low
g_dipoles does not work properly with ionic systems
David van der Spoel
07/11/2016 08:11 PM
1354
GROMACS
Bug
New
Normal
Constant acceleration NEMD is broken.
David van der Spoel
01/09/2019 04:42 PM
1170
GROMACS
Task
New
Normal
mdlib reorganization
11/17/2016 03:47 PM
GROMACS - future
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
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
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
1592
GROMACS
Bug
Rejected
Low
Manual of trjconv is unclear about precision.
David van der Spoel
06/22/2015 06:13 AM
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