Hi
I am studying on molecular dynamics of heme!
I need force field for this group.
I calculated ESP charge by Gaussian and file with frcmod format by amber
tools.
For missing atom, I should known Atom types!I understand when I used
antechamber,I have atom type belong parm99.dat!
I want to use bryce force field of heme,but It is belong parm91.dat .
How do I match together ?!
I have angle and bond from quantum mechanics but I need force constant!
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Received on Sun Feb 01 2015 - 00:30:03 PST
