[gmx-users] Turn off the diheral energy

Myunggi Yi myunggi at gmail.com
Tue Jan 29 20:36:37 CET 2008

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,

KLB 419
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306

Office: (850) 645-1334
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