AMBER Archive (2007)

Subject: Re: AMBER: rst overflow for implicit REMD

From: David A. Case (case_at_scripps.edu)
Date: Tue Jun 26 2007 - 10:28:28 CDT

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.

...dac

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