Re: AMBER: Free energies using Sander in Amber8

From: David A. Case <>
Date: Mon, 24 May 2004 21:36:22 -0700

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.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Tue May 25 2004 - 05:53:01 PDT
Custom Search