VMD-L Mailing List

From: kirtana S (skirtana4_at_gmail.com)
Date: Thu Sep 20 2012 - 00:13:47 CDT

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