Dear users, I have borrowed some atom types from "ffgmx" for my new molecule, and I'm getting distorted molecule. (I'm expecting a plane ring shape, but I'm getting chair shape, especially attached hydrogens) However, I can't find which one is which one.
Is it possible to turn off dihedral energy (proper and improper) for a certain molecule? If yes, then how can I do this? Have a nice day. -- Best wishes, MYUNGGI YI ================================== KLB 419 Institute of Molecular Biophysics Florida State University Tallahassee, FL 32306 Office: (850) 645-1334 http://www.scs.fsu.edu/~myunggi
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