Re: AMBER: fragment parametrization tutorial?

From: FyD <>
Date: Sun, 30 Sep 2007 09:12:41 +0200

Quoting "David A. Case" <>:

> On Sat, Sep 29, 2007, Carlos Simmerling wrote:
>> how about
>> *Simulating a Solvated Protein that Contains Non-Standard Residues*
> You might also look at:
> There is an example there of preparing a non-standard residue. (But we need
> to make things simpler than they are now.)

You might look at:
-I.3.2.3- Single- or multi-conformation multi-orientation RESP fits
for the central fragment of new amino-acids
-I.3.2.4- Multi-molecule multi-conformation multi-orientation RESP
fits for terminal fragments of new amino-acids

regards, Francois

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Received on Wed Oct 03 2007 - 06:07:02 PDT
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