[gmx-users] Re: Creating topology for a small organic molecule

[Vitaly V. Chaban]

> Another question is, how difficult is it to create the topology for the
> molecule by hand for the amber99 force field. Could someone please get me
> started on that, if it would be easier. The molecule is a derivative of
> cytosine.
> I am using GROMACS 4 on Mac OS 10.5

Hi,
I would advise to start with X2TOP and CHAPTER 5 of the manual.

Vitaly


-- 
Vitaly V. Chaban, Ph.D.
School of Chemistry
V.N. Karazin Kharkiv National University
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