[gmx-users] Simulations in triplicates.

David van der Spoel spoel at xray.bmc.uu.se
Tue Jan 20 11:20:15 CET 2015

On 2015-01-20 11:09, B P wrote:
> Dear all,
> when repeating simulations (triplicates) do you need to change anything in
> mdp file for each of the simulation?
> Regards,
> BP.
Different coordinates and velocities to start with is enough.

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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