[gmx-users] high temperature molecular dynamics

[masoud keramati]

tnx dear David


On 12/22/15, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> 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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