[gmx-users] high temperature molecular dynamics

[David van der Spoel]

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