Re: [AMBER] cpptraj gist: Eww energies

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 10 Aug 2015 11:21:59 -0400

On Mon, Aug 10, 2015 at 10:59 AM, Tom Kurtzman <simpleliquid.gmail.com>
wrote:

> Hi Tom,
>
> Someone else had this same problem when running simulations on an
> unrestrained solute.
>
> It turned out that the familar option was off when imaging the box. Will
> you try that?
>
> image origin center familiar
>

​autoimage handles this automatically (i.e., familiar is turned on for
triclinic cells). The problem is probably something else...

All the best,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Aug 10 2015 - 08:30:03 PDT
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