Re: ramdomized start velocities

From: David A. Case <>
Date: Fri 8 Nov 2002 11:20:54 -0800

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:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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Received on Fri Nov 08 2002 - 11:20:54 PST
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