⚲
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
1156
GROMACS
Bug
Closed
Normal
mdrun -nt > 1 crashes with old tpr
Michael Shirts
12/16/2013 05:39 PM
GROMACS - 4.6.1
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
1510
GROMACS
Bug
Closed
Normal
gmx check and gmx dump do not work for tng files
Magnus Lundborg
07/15/2014 06:45 AM
GROMACS - 5.0
1502
GROMACS
Bug
Closed
Normal
trjconv incorrect tng defaults
Magnus Lundborg
06/05/2014 04:48 PM
GROMACS - 5.0
1469
GROMACS
Bug
Closed
Normal
sizeof call generates compilation error in src/gromacs/simd/impl_x86_sse2/impl_x86_sse2.h
Erik Lindahl
04/03/2014 07:36 PM
GROMACS - 5.0
1345
GROMACS
Task
Closed
Low
Charmm - CMAP weirdness in grompp
Erik Lindahl
07/15/2014 06:42 AM
GROMACS - 5.0
1249
GROMACS
Bug
Closed
Normal
no-PBC no-cutoff is broken with SIMD group kernels in 4.6.1
Erik Lindahl
03/04/2015 10:47 PM
GROMACS - 4.6.x
579
GROMACS
Bug
Closed
Normal
nstcalcenergy = -1 leads to wrong pressure
Erik Lindahl
10/05/2010 12:43 PM
GROMACS - 4.5.1
434
GROMACS
Bug
Closed
Normal
pdb2gmx opens all rtp files
Erik Lindahl
06/14/2010 03:42 PM
GROMACS - CVS
224
GROMACS
Bug
Closed
Normal
grompp does not process encads topologies correctly
Erik Lindahl
10/08/2008 05:40 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
181
GROMACS
Bug
Closed
Normal
Pressure scaling distorts dodecahedron boxes
Erik Lindahl
02/18/2016 11:59 PM
GROMACS - 3.3.1
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
2866
GROMACS
Feature
New
Normal
Alternative non-bonded potentials
David van der Spoel
03/05/2019 03:50 PM
GROMACS - future
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
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
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
2119
GROMACS
Bug
Closed
Normal
gmx solvate -shell does not add anything
David van der Spoel
12/11/2017 12:17 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
2019
GROMACS
Bug
Closed
Low
gmx velacc lacking documentation
David van der Spoel
12/14/2017 10:27 PM
2011
GROMACS
Bug
Closed
Low
gmx clustsize -mol ignores index file
David van der Spoel
12/31/2017 05:00 PM
1996
GROMACS
Bug
Closed
Normal
gmx dos does not work at all
David van der Spoel
06/27/2016 07:27 PM
GROMACS - 5.1.3
1884
GROMACS
Bug
Closed
Normal
gmx_output_env_t not visible from trajectoryanalysis modules
David van der Spoel
12/28/2015 06:16 PM
GROMACS - 5.1.2
1860
GROMACS
Bug
Closed
Normal
convert-tpr messes up gmx_mtop_t structure
David van der Spoel
11/24/2015 06:22 PM
GROMACS - 5.1.2
1859
GROMACS
Bug
Closed
Normal
make_ndx does not work
David van der Spoel
01/12/2016 04:23 PM
GROMACS - 5.1.2
1837
GROMACS
Feature
Closed
High
Design of new table classes
David van der Spoel
03/17/2018 12:31 AM
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
1645
GROMACS
Bug
Closed
Normal
Difference in energy with Verlet scheme due to PME dipole correction
David van der Spoel
06/22/2015 06:03 PM
GROMACS - 4.6.8
1630
GROMACS
Bug
Closed
Normal
grompp allows to specify vdwtype = PME and dispcorr != no
David van der Spoel
10/24/2014 02:32 PM
GROMACS - 5.0.3
1592
GROMACS
Bug
Rejected
Low
Manual of trjconv is unclear about precision.
David van der Spoel
06/22/2015 06:13 AM
1564
GROMACS
Feature
Closed
Low
g_gyrate help text and manual is confusing
David van der Spoel
07/11/2016 07:47 PM
GROMACS - 5.0.7
1524
GROMACS
Feature
Closed
Low
More uniform options to programs.
David van der Spoel
08/17/2016 02:25 PM
1498
GROMACS
Feature
New
Low
g_dipoles does not work properly with ionic systems
David van der Spoel
07/11/2016 08:11 PM
1473
GROMACS
Bug
Closed
Normal
gmx energy -driftcorr broken.
David van der Spoel
07/11/2016 07:48 PM
1395
GROMACS
Bug
Closed
Normal
rtp errors gromos and opls
David van der Spoel
06/24/2014 08:29 PM
GROMACS - 4.6.6
1377
GROMACS
Feature
Feedback wanted
Low
Replica exchange if replicas not in ascendent T
David van der Spoel
06/23/2016 03:48 PM
1354
GROMACS
Bug
New
Normal
Constant acceleration NEMD is broken.
David van der Spoel
01/09/2019 04:42 PM
1183
GROMACS
Bug
Closed
Normal
g_mindist -pi bug with triclinic boxes
David van der Spoel
12/16/2013 05:40 PM
GROMACS - 4.5.7
972
GROMACS
Bug
Closed
Normal
g_hbond crashes with openmp and -ac
David van der Spoel
11/11/2012 02:01 PM
GROMACS - 4.5.6
« Previous
1
2
Next »
(1-50/97)
Per page:
25
,
50
,
100
Also available in:
Atom
CSV
PDF
CSV export options
Selected Columns
All Columns
Description
Last notes
Loading...