[gmx-users] topology file for methane.

Justin A. Lemkul jalemkul at vt.edu
Mon Oct 27 18:54:09 CET 2008



xianghong qi wrote:
> Hello,
> 
> Could anyone give me some suggestions about how to write a toplogy file 
> for methane with OPLS-AA force field?
> Thanks in advance.
> 

For a very simple molecule like methane, it should be very straightforward to do 
from reading Chapter 5.

-Justin

> -Xianghong Qi
> 
> -- 
> Some people make the world more special just by being in it.
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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