AMBER Archive (2002)

Subject: Re: ramdomized start velocities

From: David A. Case (case_at_scripps.edu)
Date: Fri Nov 08 2002 - 13:20:54 CST

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 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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