Hello:
Is there a described procedure for building the FF for two "small molecule"
ligands? I could obtain parm7/rst for each one by the way of PyRED server
by continuing on its xleap. parmchk2 gave very good scoeres and structures
are correct on VMD. Not yet tried MD.
My aim is to get the FF for a protein bearing the two ligands. As far as I
know leap does not read parm7/rst. Also, as far as I know, running
parm7/rst with NAMD (which I intend to do, having no recent amber version,
nor money for that) requires a single parm7/rst.Thanks for suggesting a
procedure.
francesco pietra
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Received on Sun Sep 20 2015 - 02:30:03 PDT
