Isabella Daidone wrote:
Hi everybody,
I was wondering if anybody has, and is willing to send me, a .itp file
for cyclohexane with gromos96 parameters.
I searched the list, but could not find any.
I apologize if I've missed it in the list.
Since Gromos96 is a united-atom force field, to create one with a text editor
would be very simple, with the aid of Chapter 5 of the manual.
-Justin
Thank you very much,
Isabella
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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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