[gmx-users] Question about tabulated potentials

Marcelo Lopez shonytolengo at gmail.com
Wed May 2 14:22:07 CEST 2012


Hi all, I want to be sure to understand what I'm doing with tabulated
potentials.
I'm using tabulated bonds, angles, dihedrals and non-bnding potentials.

1) If I don't specify 1-4 interactions (nrexcl = 3 and gen-pairs =
no), they're all zero for the 1-4 atoms involved in tabulated
dihedrals?

Thanks.



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