[gmx-users] MD vs Scattering

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Jan 22 14:29:35 CET 2009

Hi Lin,

Have you tried searching some articles on the matter? You're 10+
postings to this list on the subject haven't yielded much to date. If
you want a better answer, you'll have to be more specific in what type
of data you want to reproduce. Key thing is to understand what you get
from scattering and how that relates to atom positions over time or
average positions.


On Wed, Jan 21, 2009 at 9:22 AM, Chih-Ying Lin <chihying2008 at gmail.com> wrote:
> Hi
> Can running MD to reproduce the data from scattering?
> If so, How?
> Thank you
> Lin
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

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