[gmx-users] what is the force function for proper dihedrals
chris.neale at utoronto.ca
Fri Aug 31 17:01:43 CEST 2007
The manual does a good job at explaining the potential energy function
for all types of interactions. For bonded interactions the manual also
describes the force function for every type except dihedrals. The Allan
and Tildesley bool also lacks this information. It's one thing to know
that the force is the negative gradient of the potential energy, but for
proper dihedrals it is not trivial to determine this.
If anybody knows the force function for proper dihedrals then I would
greatly appreciate a reply.
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