Re: [AMBER] Non-Standard Residues Problems

From: Carlos Simmerling <>
Date: Wed, 29 Jun 2011 13:48:58 -0400

we've run calculations with a Ser-PPP group. See
if this is of interest, we can probably locate the inputs for building it...

On Wed, Jun 29, 2011 at 1:38 PM, David Cantu <> wrote:

> Dear Amber Users/Developers,
> We have a protein, which has a phosphopantethiene group (call it resiude
> PPP) attached to a serine (through a P-O bond). We tried loading this
> Ser-PPP residue into antechamber, but failed.
> If we load the PPP by itself, using Antechamber, a hydrogen will take the
> place of the P-O bond. We cannot load it with an open valence. Any ideas no
> how to load both the PPP and Ser as a non-standard resiude? We need the
> correct parameters for the P-O bond.
> Thank you,
> David
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Received on Wed Jun 29 2011 - 11:00:04 PDT
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