[gmx-users] Using several cores for MD production

MUSYOKA THOMMAS mutemibiochemistry at gmail.com
Tue Dec 3 16:23:41 CET 2013


Dear Users,

I am using a cluster of 64 cores to perform my MD simulations using GROMACS
version 4.5.5.

I would be glad to know the exact mdrun command that will allow me use the
available resources.

Thank you.









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