I saw the tutorials and I understand the parameter development process for
organic molecules. I want to know whether I generate parameters (for frcmod
file) by modifying the force field and save this as library as said in
tutorials for atoms like gold and iron.
I want to calculate the dihedral parameters for gold- sulphur ligated to
Carbon compounds here I can run a minimization scan only with a proper
force field .
I want to get some suggestion on how can I go about .
Thanks
kirtana
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Received on Fri Sep 30 2011 - 19:30:02 PDT
