[gmx-users] high temperature molecular dynamics

David van der Spoel spoel at xray.bmc.uu.se
Tue Dec 22 11:18:44 CET 2015

On 22/12/15 10:58, masoud keramati wrote:
> Hi to all
> is there any guide for high temperature molecular dynamics simulation?
> i want to use this method for unfolding process.
> thank for your respond :-)
Just increase the temperature. You may need to reduce the time step though.

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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