Good day all,
I am beginning to experiment a little with a lipid parameter set from
Jambeck and Lyubartsev, "Derivation and Systematic Validation of a
Refined All-Atom Force Field for Phosphatidylcholine Lipids", J Phys
Chem B 2012, 116, 3164-3179. The parameter set was written to be
compatible with the Gromacs version of AMBER FF03. Looking through
the files the angle parameters include values for the Urey Bradley
terms. I know that CHAMBER can write these terms to the parameter
file but I was wondering if it is possible to write an frcmod file to
FF03 which would write them as well?
Thank you,
Scott
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Received on Thu Jul 12 2012 - 12:00:03 PDT
