Re: [AMBER] two questions about Amber annealing

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Sun, 20 Jun 2010 00:18:48 -0700

> You can probably use a shorter time step to get the simulation
> stable, 1fs with shake will probably work but you may need to go to 0.5fs or
> so to be sure.

This will be more physically correct than my solution. Mine was
more like jiggling the arcade game to influence the ball.


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Received on Sun Jun 20 2010 - 00:30:03 PDT
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