[gmx-users] Turn off the diheral energy

[Myunggi Yi]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080129/95af8680/attachment.html>