[gmx-users] Automatic calculations of forces in tabulated potentials?

Wu Chaofu xiaowu759 at gmail.com
Sat Sep 8 13:41:51 CEST 2012


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



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