Re: AMBER: set a trucated octahedron box in Leap

From: David A. Case <>
Date: Mon, 11 Sep 2006 08:56:59 -0700

On Mon, Sep 11, 2006, Vlad Cojocaru wrote:
> I have an equilibrated periodic system (truncated octahedron box) and I
> want to do a very small modification of the system using Leap. In the
> meantime I want to retain all info regarding periodicity (box shape and
> dimensions).

For truncated octahedron, you probably will have to manually edit the last
line of the coordinate file to match what was there in the earlier file
(before the change).

...good luck...dac
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Received on Wed Sep 13 2006 - 06:07:09 PDT
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