Re: [AMBER] Query about microsecond long simulation

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 30 Apr 2015 07:48:00 -0400

On Wed, Apr 29, 2015, anu chandra wrote:

> Many thanks Jason and Prof. Case. A quick query here is about the value of
> 'gamma_In'. Is it safe to set a value of 5 ps^-1 for gamma_In? Is it going
> to effect the computational time?

The magnitude of gamma_ln has no effect on computation time. Values in the
range of 1 to 5 ps^-1 are very commonly used. Values outside that range may
have merit in special cases, but you should consider that a research topic.

...dac


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Received on Thu Apr 30 2015 - 05:00:02 PDT
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