Hello, I've been doing some water refinements using the script from the gb1_rdc example in eginput and I get this term DIHE (it wasn't present while running the annealing script) that has rather large energies comparatively to noes or CDIH. How do I output those violations or how do I know what's creating this term. Shouldn't it be part of the IMPR term?
Thanks, Marie -- Marie-Laurence Tremblay, PhD candidate Department of Biochemistry and Molecular Biology Dalhousie University 5850 College St. Halifax NS, Canada B3H 1X5 mltremblay at dal.ca Phone:902-494-4812 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20130513/d3a49e5f/attachment.html>
