[gmx-users] Switching off Hbonds
jake at ncsa.uiuc.edu
Tue Jan 27 22:19:01 CET 2004
Change the tyrosine to a phenylalanine.
At 10:06 AM 1/26/2004 +0800, you wrote:
>Is there a way to selectively switch off a particular hydrogen bond
>during a simulation, say between an OH group of a Tyrosine and a
>carbonyl oxygen ?
>Thnx & Rgds
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Eric Jakobsson, Ph.D.
Professor, Department of Molecular and Integrative Physiology, and of
Senior Research Scientist, National Center for Supercomputing Applications
Professor, Beckman Institute for Advanced Science and Technology
4021 Beckman Institute, mc251
405 N. Mathews Avenue
University of Illinois, Urbana, IL 61801
ph. 217-244-2896 fax 217-244-2909
(Currently on leave to NIH to serve as Director of Center for
Bioinformatics and Computational Biology at the National Institute of
General Medical Sciences and Chair of the NIH Biomedical Information
Science and Technology Initiative Consortium. Usual schedule is four days
a week at NIH and three days a week at Illlinois.)
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