Hii
i am trying to run a MD simulation of a protein and ligand complex using
NAMD. I have optimized the ligand structure using GAMESS and i have done
RESP charge derivation using the RED-vIII.5 tools. Now i have to do
forcefield assignment using GAFF with AMBER tools. Can anybody please give
me an idea how to do that? If anyone can source me a tutorial that will be
helpful. i also have a query that how suitable is AMBER forcefield
parameterization to be used in NAMD? Thanks in advance.
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Received on Sat Sep 08 2012 - 02:30:02 PDT
