[gmx-users] About NME group construction

David van der Spoel spoel at xray.bmc.uu.se
Tue Feb 15 19:10:47 CET 2005

On Tue, 15 Feb 2005 ygao at phase1.unl.edu wrote:

>I want to construct -NHME group in GROMACS. Would you kindly tell me how
>to construct it, or use any existing parameter to replace it, such as
>ffG43a1 force field?
Check what's available already. Otherwise just mutate a Gly residue in the 
rtp and hdb files.

>Yi Gao
>Department of Chemistry
>University of Nebraska -- Lincoln
>Lincoln, NE, USA 68508
>Phone: 1-402-472-9982 (O)
>       1-402-310-4155 (M)
>Email: ygao at phase1.unl.edu
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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