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Updated
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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
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
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
1156
GROMACS
Bug
Closed
Normal
mdrun -nt > 1 crashes with old tpr
Michael Shirts
12/16/2013 05:39 PM
GROMACS - 4.6.1
2568
GROMACS
Bug
New
Low
gmx editconf -rotate does not rotate the box
07/10/2018 10:27 AM
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
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
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
2052
GROMACS
Bug
New
Low
trjconv does not recognize periodic molecules
David van der Spoel
01/12/2018 11:05 AM
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
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
1377
GROMACS
Feature
Feedback wanted
Low
Replica exchange if replicas not in ascendent T
David van der Spoel
06/23/2016 03:48 PM
879
GROMACS
Feature
Closed
Low
Normal modes with vsites and/or shells does not work
David van der Spoel
07/11/2016 08:28 PM
GROMACS - 2016
846
GROMACS
Feature
Closed
Low
Warning messages should be added to programs reducing the precision of coordinates/velocities etc.
David van der Spoel
07/11/2016 08:44 PM
1345
GROMACS
Task
Closed
Low
Charmm - CMAP weirdness in grompp
Erik Lindahl
07/15/2014 06:42 AM
GROMACS - 5.0
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