Re: Problems during equilibration

From: Pratul Agarwal <>
Date: Wed 11 Sep 2002 19:40:05 -0700 (PDT)

You are right. I was missing the "imaging" step of the trajectory
post-processing before visualization.

Thanks to everybody who replied.

--- Holger Gohlke <> wrote:
> Hi,

> Your pictures look pretty normal to me. You probably did not image
> your
> snapshots before extracting them from the trajectory? During your
> simulation, the water molecules diffused to the surrounding boxes of
> your periodic boundary setup.

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Received on Wed Sep 11 2002 - 19:40:05 PDT
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