Hi Rui Li,
See http://wiki.gromacs.org/index.php/Parameterization
Tsjerk
On 7/3/07, Rui Li <[EMAIL PROTECTED]> wrote:
Dear all,
I have a ligand molecule, and I want to get its opls all-atom force field
topology
file. How can I get it?
I don't know how to establish the atom types and the charge of the ligand.
Any reply will be appreciated.
sincerely
Rui Li
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--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
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