[gmx-users] Topology for a new ligand

[Justin A. Lemkul]

Kavyashree M wrote:
> Dear gromacs users,
> 
> I wanted to know the steps to be followed
> in order to generate a topology for a new
> ligand. I went through the mailing list and
> http://www.gromacs.org/Documentation/How-tos/Parameterization
> but was not clear.
> 

All force fields are different, and since you haven't said which one you're 
trying to use there's nothing that anyone can tell you.  Read the primary 
literature for the force field you want to use and follow the procedure laid out 
therein.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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