Re: amber-developers: weirdnesses in Langevin dynamics code

From: David A. Case <>
Date: Tue, 24 May 2005 09:32:38 -0700

On Tue, May 24, 2005, Mathews, David wrote:

> MPI was resetting the parallel number generator after randomizing the
> velocities. So, I chose to reset the random number generator in non-MPI
> well.

Thanks for the update...I had forgotten about how randomizing initial
velocities could use up random numbers.

John Mongan has code for multiple "streams" of random numbers (I think),
might be implemented here. But basically, there is probably nothing wrong
with the code as it stands.

Received on Wed Apr 05 2006 - 23:49:56 PDT
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