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
--
========================================
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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