[gmx-users] segmentation fault (wrong settings in mdp file)

Justin A. Lemkul jalemkul at vt.edu
Tue Feb 5 14:18:04 CET 2008

Quoting Louic Vermeer <louic at louic.nl>:

> On Tuesday 5 February 2008 14:02, Egidijus Kuprusevicius wrote:
> > I know that something is wrong with my mdp file,
> > but do not know what exactly can cause it (what parameters I should do not
> > use or use instead).
> It would help to include your mdp file in your message.

...and perhaps a description of your system and the force field you are using. 
A simple globular protein in water is quite different from a multi-domain
membrane protein with a ligand bound!  Without some idea of what you're trying
to accomplish, we can only guess.


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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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