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Updated
Target version
80
GROMACS
Bug
Closed
High
bug in avcsix calculation for dispersion correction
David van der Spoel
05/11/2006 08:43 AM
GROMACS - 3.3.1
7
GROMACS
Bug
Closed
High
Environment variable IAMCOOL crashes program luck
David van der Spoel
09/05/2005 05:39 PM
GROMACS - 3.3_rc1
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
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
214
GROMACS
Bug
Closed
Normal
Configure fails in 64 bit
Erik Lindahl
10/08/2008 07:11 AM
GROMACS - 4.0_rc1
579
GROMACS
Bug
Closed
Normal
nstcalcenergy = -1 leads to wrong pressure
Erik Lindahl
10/05/2010 12:43 PM
GROMACS - 4.5.1
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
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
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
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
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
900
GROMACS
Bug
Closed
High
crash in OpenMP code.
Berk Hess
06/23/2012 06:46 PM
GROMACS - 4.6
1156
GROMACS
Bug
Closed
Normal
mdrun -nt > 1 crashes with old tpr
Michael Shirts
12/16/2013 05:39 PM
GROMACS - 4.6.1
1395
GROMACS
Bug
Closed
Normal
rtp errors gromos and opls
David van der Spoel
06/24/2014 08:29 PM
GROMACS - 4.6.6
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
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
1343
GROMACS
Bug
Closed
Normal
vsiten particles are not integrated
Berk Hess
09/29/2013 03:53 PM
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
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
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
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