AMBER Archive (2003)

Subject: Re: Periodic Boundary Condition in AMBER7 (the sander module)!

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 08 2003 - 17:25:53 CDT


On Tue, Apr 08, 2003, Dat H. Nguyen wrote:
>
> I was just wondering if it is possible to impose the periodic boundary
> condition along a particular direction (e.g. x-direction) ONLY during
> the dynamics in AMBER 7 instead of the default three directions?

No..this capability is not included in sander.

..dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================