On Wed, Apr 04, 2007, Chengwen Chen wrote:
>
> 1. Since the four atom defined for improper torsion is not serially bonded,
> how did LEAP recognize the atom ?
LEaP looks for all atoms with exactly three bonded neighbors. It then checks
to see if there is an improper defined with those atoms types. If so, it uses
it; if not, no improper term is used.
...hope this helps....dac
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Received on Sun Apr 08 2007 - 06:07:09 PDT
