AMBER Archive (2004)

Subject: Re: AMBER: Re: ANAL problem

From: Bill Ross (ross_at_cgl.ucsf.edu)
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.

Bill

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu