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