On 2012-09-08 13:41, Wu Chaofu wrote:
Dear gmxers,
Can the forces F(r) be calculated automatically from the potentials
E(r) so that they can be replaced initially by zeros in the tabulated
potentials? Thank you for any reply.
Yours sincerely,
Chaofu Wu
No.
But xmgrace or something like that can do it easily.
--
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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