AMBER Archive (2008)

Subject: AMBER: setting perioding box in AMBER

From: Vijay Manickam Achari (vjrajamany_at_yahoo.com)
Date: Sun Feb 17 2008 - 19:47:17 CST

Dear experts,

Is that possible in AMBER to determine the box size and shape to our preference?
Normally we use SETBOX command in xleap to put periodic boundary condition. When we use this command , it put rectangle BOX around the residue or molecule.
If at all we want to define our won shape such as monoclinic, is there any way of doing it?

Please advice.

Thanks
Regards
Vijay.M

Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
 vjramana_at_gmail.com
       
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