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Peter Eastman

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04/29/2013

07:53 PM GROMACS Bug #1091: Segfault with implicit solvent
File attached again.

04/25/2013

07:49 PM GROMACS Bug #1091: Segfault with implicit solvent
tpr file is attached. Note this only happens in double precision mode.

12/21/2012

08:17 PM GROMACS Bug #1091 (Closed): Segfault with implicit solvent
I am using Gromacs 4.5.5, compiled in double precision mode, on Ubuntu 11.10. When I try to use implicit solvent it ...

07/13/2011

09:30 PM GROMACS Bug #779 (Closed): PDB files use incorrect names
In many cases, Gromacs uses different names for atoms and residues than those defined by the PDB. There's nothing wr...

12/03/2009

09:02 PM GROMACS Bug #375 (Closed): constraints = hangles is broken
The "constraints=hangles" option is broken. The problem is that it generates too many constraints (more than the num...

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