Re: AMBER: Improper torsion terms

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Fri, 2 Nov 2007 09:41:00 -0700 (PDT)

> ** Warning: No sp2 improper torsion term for c2-c3-c2-ha

Look in your prep file for c2 type atoms bonded to c2, c3, and ha
types and decide whether that conformation needs planarity
reinforced. Maybe run dynamics an view the trajectory. If things
aren't too floppy, you are ok.

Bill
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Received on Sun Nov 04 2007 - 06:07:44 PST
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