On Fri, Nov 08, 2002, Arvid Soederhaell wrote:
> What then happens is that all structures that
> are generated are identical! I thought that the start velocities in an MD
> run are supposed to be random, and hence follow different trajectories...
> What have i done wrong?
You need to set the pseudo-random number seed to a different value for
each run; see the IG variable.
(Computers are really determinisitic machines: if you give the same program
the same input, you really want to get the same result.)
Good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Fri Nov 08 2002 - 11:20:54 PST
