Re: AMBER: rst overflow for implicit REMD

From: David A. Case <>
Date: Tue, 26 Jun 2007 08:28:28 -0700

On Tue, Jun 26, 2007, In Hee Park wrote:
> Although setting "iwrap=1" is recommended to keep the coordinate output
> from overflowing the trajectory file format, this option can be used PME
> run only. Now, it just shifting to explicit(or hybrid)-REMD the only
> possible way to make my dimer REMD possible? Is there no way to resolve
> the overflow problem under GB?

I think the nscm option can be used to do what you want for GB runs.


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Received on Wed Jun 27 2007 - 06:07:36 PDT
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