⚲
Project
General
Profile
Sign in
Register
Home
Projects
Help
Search
:
Jump to a project...
All Projects
GROMACS development
Projects
Activity
Issues
Gantt
Calendar
News
Issues
View all issues
Issues
Filters
Add filter
Status
Project
Tracker
Priority
Author
Assignee
Target version
Subject
Description
File
Updated by
Last updated by
Affected version - extra info
Affected version
Difficulty
Issue
Assignee's group
Assignee's role
Target version's Due date
Target version's Status
Created
Updated
Closed
Affected version's Due date
Affected version's Status
Related to
Is duplicate of
Has duplicate
Blocks
Blocked by
Precedes
Follows
Copied to
Copied from
Parent task
Subtasks
Options
Columns
Available Columns
Parent task
Author
Category
Total estimated time
Created
Closed
Last updated by
Related issues
Files
Affected version - extra info
Affected version
Difficulty
Selected Columns
Project
Tracker
Status
Priority
Subject
Assignee
Updated
Target version
Group results by
Project
Tracker
Status
Priority
Author
Assignee
Category
Target version
Affected version
Show
Description
Last notes
Apply
Clear
#
Project
Tracker
Status
Priority
Subject
Assignee
Updated
Target version
2774
GROMACS
Feature
New
Normal
Refactor shell code into its own integrator
David van der Spoel
12/27/2019 04:05 PM
GROMACS - 2021
1854
GROMACS
Feature
New
Normal
Remove all cyclic dependencies
05/25/2017 08:34 AM
2060
GROMACS
Feature
New
Normal
Convert enum to enum class
10/17/2016 05:27 PM
2111
GROMACS
Feature
In Progress
Normal
Implement Gaussian screening of electrostatics
02/23/2019 12:33 PM
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
2931
GROMACS
Feature
New
Normal
Tables in Verlet kernels
04/29/2019 12:01 PM
741
GROMACS
Bug
Closed
Normal
tpbconv can not read cpt file
Berk Hess
06/29/2011 06:27 AM
1272
GROMACS
Bug
Closed
Normal
Energy minimization with domain decomposition crashes
Berk Hess
06/16/2015 11:50 PM
713
GROMACS
Bug
Closed
Normal
MD with polarization does not work in parallel
David van der Spoel
01/04/2012 01:21 PM
1354
GROMACS
Bug
New
Normal
Constant acceleration NEMD is broken.
David van der Spoel
01/09/2019 04:42 PM
1473
GROMACS
Bug
Closed
Normal
gmx energy -driftcorr broken.
David van der Spoel
07/11/2016 07:48 PM
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
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
1864
GROMACS
Feature
New
Normal
write tng files with energies
Magnus Lundborg
07/11/2016 08:00 PM
1863
GROMACS
Feature
Closed
Normal
write tng files with velocities from mdrun
Magnus Lundborg
07/11/2016 08:01 PM
GROMACS - 2016
2036
GROMACS
Feature
Closed
Normal
gmx solvate should work with molecules
08/23/2016 03:25 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
181
GROMACS
Bug
Closed
Normal
Pressure scaling distorts dodecahedron boxes
Erik Lindahl
02/18/2016 11:59 PM
GROMACS - 3.3.1
608
GROMACS
Bug
Closed
Normal
Molecules with large charge groups give wrong neighborlist
David van der Spoel
11/02/2010 06:18 PM
GROMACS - 4.0.7
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
214
GROMACS
Bug
Closed
Normal
Configure fails in 64 bit
Erik Lindahl
10/08/2008 07:11 AM
GROMACS - 4.0_rc1
224
GROMACS
Bug
Closed
Normal
grompp does not process encads topologies correctly
Erik Lindahl
10/08/2008 05:40 PM
GROMACS - 4.0_rc1
564
GROMACS
Bug
Closed
Normal
g_dipoles has a memory hole
David van der Spoel
09/20/2010 01:51 PM
GROMACS - 4.5.1
579
GROMACS
Bug
Closed
Normal
nstcalcenergy = -1 leads to wrong pressure
Erik Lindahl
10/05/2010 12:43 PM
GROMACS - 4.5.1
« Previous
1
2
3
4
Next »
(26-50/97)
Per page:
25
,
50
,
100
Also available in:
Atom
CSV
PDF
CSV export options
Selected Columns
All Columns
Description
Last notes
Loading...