VMD-L Mailing List

From: Guo Zhi (gzgzgz_at_gmail.com)
Date: Mon May 08 2006 - 09:04:46 CDT

Well, my system is NPT. I want to use "measure minmax [atomselect top
water]" to calculate the unit cell info in each frame, is this recovery
method correct?

---------- Forwarded message ----------
From: Guo Zhi <gzgzgz_at_gmail.com>
Date: 2006-5-7 ÏÂÎç11:32
Subject: vmd-l: How to pick up the lost periodic information?
To: vmd-l_at_ks.uiuc.edu

 Hi, VMD users:
      I forgot to include DCDunitCell option in my simulation. So that it
seems that the dcd trajectory file does not include any periodic
information( when i ticked any of the checkbox of +X, -X, +Y, -Y... none of
them works ), but i really want to see the movie with smooth boundary
connected, is it still possible? How to do it?
What's more, how to select neighboring atoms that stride two periodic
boxes?