Francesco,
> I must add that I am familiar with getting .prepin and .frcmod files
> with antechamber. Never did without that, which can't be used with
> heme. As to calculating VDW and electrostatics parameters by myself, I
> don't have Gaussian. My tools for quantum chemistry are Gamess US and
> ORCA only. This is why I have not approached R.E.D yet.
R.E.D. interfaces Gaussian, GAMESS-US, PC-GAMESS or WinGAMESS.
regards, Francois
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Received on Wed Feb 03 2010 - 07:00:02 PST
