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49
GROMACS
Bug
Closed
High
Wrong image convention for evaluating dummy atoms.
David van der Spoel
04/01/2006 08:22 PM
GROMACS - 3.3
39
GROMACS
Bug
Closed
High
Generation of initial velocities counts dummy atoms as normal atoms.
Erik Lindahl
01/01/2006 10:06 PM
GROMACS - 3.3
35
GROMACS
Bug
Closed
High
trjconv does not read velocities from g96 file.
Erik Lindahl
12/08/2005 09:58 PM
GROMACS - 3.3
18
GROMACS
Bug
Closed
Low
Implement position rescaling with Rahman Parrinello barostat.
Erik Lindahl
07/23/2007 04:38 PM
GROMACS - CVS
17
GROMACS
Bug
Closed
High
Double precision gromacs truncates in memory coordinates to single precision when writting XTC file.
Erik Lindahl
10/06/2005 06:51 PM
GROMACS - 3.2.1
16
GROMACS
Bug
Closed
High
Issue an error if pme_order < fourier_nx/y/z
Erik Lindahl
10/03/2005 09:30 PM
GROMACS - 3.2.1
14
GROMACS
Bug
Closed
Normal
Rahman Parrinello barostat not accurate for the anisotropic case.
Erik Lindahl
07/23/2007 04:15 PM
GROMACS - CVS
12
GROMACS
Bug
Closed
Low
Forces between frozen particles contribute to pressure.
Erik Lindahl
09/12/2005 11:41 PM
GROMACS - 3.2.1
11
GROMACS
Bug
Closed
High
ngmx exit confirmation is broken
David van der Spoel
09/21/2005 10:29 PM
GROMACS - 3.2.1
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