[gmx-users] temperature effect on potential energy

David van der Spoel spoel at xray.bmc.uu.se
Thu Apr 21 15:26:45 CEST 2011

On 2011-04-21 15.24, Juliette N. wrote:
> Hello,
> I have a quick enquiry whether temperature affects pontetial energy
> terms. Does T is accounted for to parametrize OPLS FF? Do bonded and
> nonboded energies vary with T?
Have you tried?
Try to read up on heat capacity.

> Thanks,
> Jennifer N.

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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