AMBER Archive (2008)

Subject: Re: AMBER: Parallel Self-guided Langevin simulation

From: David A. Case (case_at_scripps.edu)
Date: Wed May 28 2008 - 11:46:55 CDT

On Wed, May 28, 2008, Dirar Homouz wrote:
>
>
> Thanks again. Both systems (serial and parallel) passed the tests. I got it
> to work now by setting igb=1. I'm not sure why is that so.
> The same input file without igb work serially.

OK...still sounds like a bug we need to track down. If you want to run a
vacuum simulation with self-guided Langevin dynamics (not sure why you would
want to do this) set igb=6.

...thanks...dac

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