From owner-chemistry@ccl.net Sat Jul 21 15:50:00 2007
From: "Jun Cui juc9+]*[pitt.edu" <owner-chemistry-#-server.ccl.net>
To: CCL
Subject: CCL: AMBER PBC box alignment
Message-Id: <-34776-070721154923-14844-eL5yND+Ze7YbeLvRdimXhA-#-server.ccl.net>
X-Original-From: "Jun   Cui" <juc9+[-]pitt.edu>
Date: Sat, 21 Jul 2007 15:49:19 -0400


Sent to CCL by: "Jun   Cui" [juc9+**pitt.edu]
Hi, there,

Does amber 9 need the periodic box to be parallel to the xy, yz, and xz 
planes? If yes, is there any good tool to rotate an existing system to be
parallel to the axis planes? I tried to code and do not have a good way to 
find the new axises for the system. Thanks.

Jun