Hi, All
I'm trying to calculate the binding energy between ligand and protein with
polarizable potentials leaprc.ff02(EP). I know the sander output file can
print out the interaction between individual residues with idecomp=1, but
just don't know the format on how to define the residues. Can anyone give me
a sample file? Thanks!
Yongmei Pan
Pharmaceutical Sciences, University of Kentucky
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Received on Wed Sep 10 2008 - 06:07:30 PDT
