VMD-L Mailing List

From: matziast_at_med.uth.gr
Date: Tue May 25 2010 - 16:03:33 CDT

Hi,
I have a problem and I need someone's help. First of all, I will tell you which
is my purpose. I try to create the parameter file of a small molecule in order
to run molecular dynamic simulations. Specifically, I have a ring with 5C that
has a bending in one side and I want to make flat this ring.I don't know how.
How I can find which parameters are the correct ones?
I would appreciate any advice.
Thank you in advance.
Maria