Re: [AMBER] Parameters for HYP and CGU

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Wed, 16 Dec 2009 22:27:25 -0500

I do not know what CGU is, but there are published HYP parameters by
Pande's group for instance. You would need to create your own frcmod and
lib files for this.

Adrian


Rilei Yu wrote:
> Dear amber users,
>
> I have a peptide that contains HYP and CGU residues. And I cannot use leap to save them. Do any one know is there any force field in amber that can do this? Now, I used ff03 and gaff, but i failed do that.
>
> Furthermore, can anyone give me some suggestions that I help me solve my problem?
> Thanks for your help!
> Rilei Yu
>
>
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-- 
                           Dr. Adrian E. Roitberg
                             Associate Professor
                            Quantum Theory Project
                           Department of Chemistry
                 Senior Editor. Journal of Physical Chemistry
                          American Chemical Society
University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian.qtp.ufl.edu
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Received on Wed Dec 16 2009 - 19:30:05 PST
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