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Updated
Target version
1592
GROMACS
Bug
Rejected
Low
Manual of trjconv is unclear about precision.
David van der Spoel
06/22/2015 06:13 AM
2011
GROMACS
Bug
Closed
Low
gmx clustsize -mol ignores index file
David van der Spoel
12/31/2017 05:00 PM
2019
GROMACS
Bug
Closed
Low
gmx velacc lacking documentation
David van der Spoel
12/14/2017 10:27 PM
2052
GROMACS
Bug
New
Low
trjconv does not recognize periodic molecules
David van der Spoel
01/12/2018 11:05 AM
2568
GROMACS
Bug
New
Low
gmx editconf -rotate does not rotate the box
07/10/2018 10:27 AM
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
181
GROMACS
Bug
Closed
Normal
Pressure scaling distorts dodecahedron boxes
Erik Lindahl
02/18/2016 11:59 PM
GROMACS - 3.3.1
206
GROMACS
Bug
Closed
Normal
Protein atom naming in pdb files incorrect
David van der Spoel
10/08/2008 02:38 AM
GROMACS - CVS
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
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
434
GROMACS
Bug
Closed
Normal
pdb2gmx opens all rtp files
Erik Lindahl
06/14/2010 03:42 PM
GROMACS - CVS
440
GROMACS
Bug
Closed
Normal
Double precision man pages are installed as program_d.1
David van der Spoel
09/01/2010 10:22 PM
GROMACS - CVS
520
GROMACS
Bug
Closed
Normal
Editconf with index can not do other things
David van der Spoel
08/31/2010 10:42 AM
GROMACS - CVS
523
GROMACS
Bug
Closed
Normal
g_rms gives nonsense values when the number of atoms differs between tpr and xtc
David van der Spoel
08/31/2010 12:06 PM
GROMACS - CVS
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
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
620
GROMACS
Bug
Closed
Normal
Total dipole in energy files is incorrect
12/28/2012 08:15 PM
GROMACS - 4.6
713
GROMACS
Bug
Closed
Normal
MD with polarization does not work in parallel
David van der Spoel
01/04/2012 01:21 PM
741
GROMACS
Bug
Closed
Normal
tpbconv can not read cpt file
Berk Hess
06/29/2011 06:27 AM
743
GROMACS
Bug
Closed
Normal
Angular momentum removal incorrect
David van der Spoel
03/05/2012 11:27 AM
GROMACS - 4.5.6
847
GROMACS
Bug
Rejected
Normal
tpbconv with index file can produce incorrect tpr files
12/29/2012 12:18 AM
GROMACS - 4.6
901
GROMACS
Bug
Closed
Normal
Dispersion correction incorrect with energy minimization
Berk Hess
04/26/2012 08:27 PM
GROMACS - 4.5.6
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
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