AMBER Archive (2004)

Subject: Re: AMBER: Free energies using Sander in Amber8

From: David A. Case (case_at_scripps.edu)
Date: Mon May 24 2004 - 23:36:22 CDT

On Tue, May 25, 2004, Jiten wrote:
>
> I am wondering if the free energies calcaulations in sander (amber8) would
> be possible with the octahedron peroidic box (Non-orthognal systems ) unlike
> in gibbs( amber7) accepts orthogonal systems only.

Yes, sander can do free energies with the truncated octahedral box.

...dac
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