Rui Li wrote:
Dear all,
I'm trying to run a simulation of a ligand bound to an enzyme.I make a specbond
between ligand and residue, Is this bond proper for EM or MD simulation? What
parameters are defined on it?
if grompp doesn't complain there are parameters for angles and bonds
etc. Use gmxdump to find out which values.
Thank you in advance!
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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
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