[gmx-users] Simulation in Vacuum

[Dallas Warren]

>I'd like to simulate a protein in vacuum, but the mdrun run has always been
>crashed. I think my *.mdp file is not correct. Can anybody give it a
>correctness?

Might be an idea to post what the actual error is that you get.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
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When the only tool you own is a hammer, every problem begins to resemble a nail.
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