> total 2 improper torsions applied
> 16 improper torsions in old prep form
If all the impropers in your prep file are correct (i.e. are groups
of 4 atoms that are supposed to be planar and need a reinforcing
potential to make this so), then your force field would need to be
adjusted to create the missing improper torsions.
Bill
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Received on Sun Aug 05 2007 - 06:07:40 PDT
