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.
[email protected] http://folding.bmc.uu.se
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