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

Mark Abraham mark.abraham at anu.edu.au
Tue Feb 5 14:38:59 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.

And likewise, more of the output, e.g. stdout or the tail of the logfile
if this is actually an mdrun problem.

Mark




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