From: Giovanni Bellesia (gbellesia_at_chem.ucsb.edu)
Date: Wed Jan 25 2006 - 15:12:16 CST
I'm trying to use the x-plor parameter file for some trial simulations
on simple molecular systems
I know that In order to set multiple dihedrals for the same quadruplet
(for example cos(theta)+cos(3*theta) ... sort of cosine expansion) one
should introduce in some way this information about the multiplicity in
the psf file.
Does anybody know how the dihedrals multiplicity is introduced in the
psf file ?
I'd really like to see an example psf file in which this is done.
My molecular systems are quite small and I can do it manually.
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