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Updated
Target version
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
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
1592
GROMACS
Bug
Rejected
Low
Manual of trjconv is unclear about precision.
David van der Spoel
06/22/2015 06:13 AM
1272
GROMACS
Bug
Closed
Normal
Energy minimization with domain decomposition crashes
Berk Hess
06/16/2015 11:50 PM
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
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
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
1345
GROMACS
Task
Closed
Low
Charmm - CMAP weirdness in grompp
Erik Lindahl
07/15/2014 06:42 AM
GROMACS - 5.0
1395
GROMACS
Bug
Closed
Normal
rtp errors gromos and opls
David van der Spoel
06/24/2014 08:29 PM
GROMACS - 4.6.6
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
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
1156
GROMACS
Bug
Closed
Normal
mdrun -nt > 1 crashes with old tpr
Michael Shirts
12/16/2013 05:39 PM
GROMACS - 4.6.1
1343
GROMACS
Bug
Closed
Normal
vsiten particles are not integrated
Berk Hess
09/29/2013 03:53 PM
GROMACS - 5.0
847
GROMACS
Bug
Rejected
Normal
tpbconv with index file can produce incorrect tpr files
12/29/2012 12:18 AM
GROMACS - 4.6
620
GROMACS
Bug
Closed
Normal
Total dipole in energy files is incorrect
12/28/2012 08:15 PM
GROMACS - 4.6
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
900
GROMACS
Bug
Closed
High
crash in OpenMP code.
Berk Hess
06/23/2012 06:46 PM
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
743
GROMACS
Bug
Closed
Normal
Angular momentum removal incorrect
David van der Spoel
03/05/2012 11:27 AM
GROMACS - 4.5.6
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
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
579
GROMACS
Bug
Closed
Normal
nstcalcenergy = -1 leads to wrong pressure
Erik Lindahl
10/05/2010 12:43 PM
GROMACS - 4.5.1
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