> I've attached an updated "parm99.dat.new2", which puts in explicitly a
> zero-force-constant three-fold term along with the one-fold term, to
prevent
> (I hope!) the "copy" problem from getting confused. We should test this
to
> see what it produces under various circumstances.
FYI, I just tested this (parm99.dat.new2) with Ross's simple nuc.pdb
system that I reported results on yesterday and now we get consistent
results before and after the copy that match the original PLEP/ LEaP
pre-copy results exactly.
--tom
Received on Wed Apr 05 2006 - 23:49:54 PDT
