VMD-L Mailing List

From: Karteek Kumar (karthik3327_at_gmail.com)
Date: Fri Dec 15 2017 - 15:23:39 CST

Hi,

You can write a small tcl script something like this.

***********
set group1 [ atomselect top { selection }]
set group2 [ atomselect top { selection }]

set com1 [ measure center $group1 ]
set com2 [ measure center $group2 ]

set distance [ vecdist $com1 $com2 ]

puts $distance

************************

write it in a script and execute using Tkconsole. Or else simply type in
the Tk console

Hope this helps !!!!

Karteek

On Fri, Dec 15, 2017 at 3:39 PM, Rabeta Yeasmin <rabetayeasmin_at_gmail.com>
wrote:

> Dear VMD users,
>
> I am wondering if there is any way in VMD to calculate distance between
> two groups of atoms.
> Thanks.
>
> Rabeta Yeasmin
>