AMBER Archive (2007)Subject: Re: AMBER: Improper torsion terms
From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri Nov 02 2007 - 10:41:00 CST
> ** 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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|