Re: [AMBER] Regarding rigid bond

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Wed, 2 Dec 2009 09:20:52 -0800 (PST)

> I think NTC = 3 wont work in parellel run.
> What could be the solution for this?

Two obvious possibilities are:
 - don't run with NTC = 3
 - don't run parallel

Perhaps you could validate NTC = 2 by running some limited nonparallel
NTC=3 and comparing it to parallel NTC=2.

Bill

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Received on Wed Dec 02 2009 - 09:30:03 PST
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