Dear ARP ARP,
> I am new in using Amber and this is my first post. I want to build the
> parameter files (.prepi and .frcmod) for a modified Cysteine residue (side
> chain is modified to a bulk aromatic group) in my protein, with
> antechamber.
if your ligand is covalently bound you might be interested in using
R.E.D. or R.E.D. Server at q4md-forcefieldtools.org. You will find
tutorials there about how to use these tools.
you need to develop a FF library for a molecular fragment and R.E.D.
is designed for this task.
regards, Francois
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Received on Wed Sep 19 2012 - 13:00:02 PDT
