[gmx-users] cutt offs
jake at ncsa.uiuc.edu
Mon Dec 29 16:23:01 CET 2003
You would not want to do that anyway--it would really put you in
At 09:58 AM 12/29/2003 +0100, you wrote:
>On Sun, 28 Dec 2003, Ilya Chorny wrote:
> >Is their a way to have different cut off distances for different molecules?
> >The cuttoff length between molecule A and water is 10 nm but the water-water
> >cutoff is 1 nm.
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>David van der Spoel, PhD, Assist. 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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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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