[MMTK] Adding/modifying forcefields

david.evans at ulsop.ac.uk david.evans at ulsop.ac.uk
Fri Dec 17 13:20:58 CET 2004


I'd like to use the Amber99 ff, in conjunction with gaff to describe
ligand binding energetics.

I have, I think, understood how to create new molecules using
database files in
and would like to do something similar for forcefields i.e. without
modifying the base distribution.



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