[gmx-users] GROMACS WINDOWS

[Anton Feenstra]

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?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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