Subject: Re: CCL:NMA parameters in charmm

From: Rick Venable <rvenable..at..pollux.cber.nih.gov>
Date: Tue, 11 May 2004 14:33:27 -0400

On Mon, 10 May 2004, wei wrote:
> I want to do a simulation of NMA in charmm,but the parameters
> (especially the partial charges) of the amino acids can't be used
> directly. can anyone give me some help about this

The NMA* residue can be found in the distributed top_all22_model.inp, in
the toppar subdir

	* assuming NMA = N-methyl acetamide

=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=
Rick Venable           29/500
FDA/CBER/OVRR Biophysics Lab
1401 Rockville Pike    HFM-419
Rockville, MD  20852-1448  U.S.A.
(301) 496-1905   Rick_Venable..at..nih.gov
ALT email:  rvenable..at..speakeasy.org
-------------------------------------
"Don't blame me, I voted for Kang."
                         Homer
=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=