Hi Dr. Adrian,
Thanks for your suggestion, and my problem has been solved!
Rilei Yu
--- 09年12月17日，周四, Adrian Roitberg <roitberg.qtp.ufl.edu> 写道：
发件人: Adrian Roitberg <roitberg.qtp.ufl.edu>
主题: Re: [AMBER] Parameters for HYP and CGU
收件人: "AMBER Mailing List" <amber.ambermd.org>
日期: 2009年12月17日,周四,上午11:27
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 - 22:00:04 PST
