Re: [AMBER] Phosphorylated aspartate residue

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Mon, 11 Oct 2010 09:19:09 +0200

Dear Rahul Banerjee,

> I want to simulate a small peptide system that has a phosphorylated
> aspartate residue in it. How can I make tleap/xleap recognize the
> system?

You might try the R.E.D. tools . http://q4md-forcefieldtools.org/RED/
to build the FF library for your molecular fragments or even R.E.D.
Server. See Tutorials . http://q4md-forcefieldtools.org/Tutorial/ as
well.

regards, Francois



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Received on Mon Oct 11 2010 - 00:30:03 PDT