Dear Amber users,
I'm trying to parametrize a ligand which coordinates metal atoms. I built
topology and main parameters with Antechamber, thus obtaining the prep and
frcmod files.
My problem is now modifying the parameters to make the model suitable for my
system. Does a clear guide to the numbers/columns included in the prep and
frcmod file (i.e. file formats definitions) exist? (I couldn't even find
their units).
Thank you
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Received on Fri Jul 08 2011 - 04:00:03 PDT
