[gmx-users] GROMACS WINDOWS
feenstra at chem.vu.nl
Tue Sep 16 09:07:01 CEST 2003
Raj Badhan wrote:
> Hope someone can offer some suggestions.
> I'm running gromacs under windows (xp).
> I've run done a few runs with a protein and it works fine.
> Now when I try a run with an oligomer, mdrun crashes and closes.
> I setup the water box and am running the energy
> minimisation/dynamics run on the water molecules, and I get a
> crash message from windows saying mdrun crashed!
> Any ideas?
Did you get any errors or warnings from pdb2gmx and/or grompp?
Could you do energy minimization on the oligomer in vacuum?
Did you get any output (on screen or in file)?
Can you run a box of water (e.g. from the benchmarks, or spc216.gro)?
Do you have a Linux or Unix machine nearby to try?
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| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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