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 [email protected] Phone:902-494-4812
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