VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Sep 20 2012 - 07:50:35 CDT

Please note that mergemol combines VMD molecules with no regard for their coordinates. If you want to multiply your system use replicatemol. Axel.
--
Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.

-----Original Message-----
From: kirtana S <skirtana4_at_gmail.com>
Sender: owner-vmd-l_at_ks.uiuc.edu
Date: Thu, 20 Sep 2012 01:13:47
To: <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: Use of topotools

Dear VMD users,

While trying to create a box of 4 different kinds of atoms in a box in
different proportions I am using the scripts provided by topotools

After I define the three different type of atoms in similar ways as
provided by the script for hexane/cyclohexane in the tutorials. Use of
mergemol command for more than one repetitions also repeats the similar
coordinates so I cannot have number of similar molecule selections i.e
::TopoTools::mergemols [list $mol1 $mol2 $mol2 $mol3 $mol1 ]

Can you suggest a way of modifying the script to have ratio of mixture
as something other than 1:1

Thanks
Kirtana