AMBER Archive (2004)

Subject: Re: AMBER: Re: ANAL problem

From: Bill Ross (
Date: Thu Feb 05 2004 - 12:07:58 CST

> It looks like your prmtop file uses a truncated octahedron (which I am not
> sure that anal will recognize).

Anal does not handle truncated octahedron - it would treat it
either as no box or rectanglar box.

> Also, you seem to have used ptraj to remove
> the box information from the coordinates, but you did not change the prmtop
> file accordingly.

As far as I know anal does not handle mdcrd format, in case
that is an issue.


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