AMBER Archive (2007)

Subject: Re: AMBER: setbox command error

From: David A. Case (case_at_scripps.edu)
Date: Mon Aug 13 2007 - 15:38:30 CDT

On Mon, Aug 13, 2007, priya priya wrote:

> setBox am22 vdw [30.0]

use either something like this:

   setBox am22 vdw 30.0 (for isotropic box)

or

   setBox am22 vdw { 30.0 29.5 33.4 } (for anisotropic box)

...good luck...dac

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