Is the following expected behavior?
1. People include angle and torsion parameters for EP's in their parm files.
2. Leap completely ignores them. (I read the code... really... it's coded this way.)
3. As a bonus, despite EP's being included in the "Atom Types" list, leap complains "(UNKNOWN ATOM TYPE: EP)".
Leap does include bond, charge and Lennard-Jones params in prmtops.
:-) Lachele
Dr. B. Lachele Foley
Complex Carbohydrate Research Center
The University of Georgia
Athens, GA USA
lfoley.uga.edu
http://glycam.ccrc.uga.edu
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Received on Thu Mar 01 2012 - 09:30:01 PST
