AMBER Archive (2009)

Subject: Re: [AMBER] Parameters for HYP and CGU

From: Alessandro Contini (
Date: Thu Dec 17 2009 - 03:11:44 CST

Dear all,
I'd like to derive a parameter file for an unnatural aminoacid having
one amino head and two carboxy tails, but I have a couple of questions.
First of all, is this possible with amber? How do I define the two
carboxy tails in the off file? Is it possible to use a standard version
of REDIII for deriving RESP charges?

Thank you for support,

best regards

Alessandro Contini

Alessandro Contini, PhD
Università degli Studi di Milano
Dipartimento di Scienze Molecolari Applicate ai Biosistemi 
Sezione di Chimica Organica "Alessandro Marchesini"
Via Venezian, 21 20133 Milano 
Tel. +390250314480 Fax. +390250314476
skype alessandrocontini

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