VMD-L Mailing List

From: Ana Celia Vila Verde (acavilaverde_at_gmail.com)
Date: Fri Sep 19 2014 - 06:31:36 CDT

Dear Vasumathi,

To get the total number you can do

set hbondList [measure hbonds 30 $sel1 $sel2]
and then
set hbondNumber [llength [lindex $hbondList 0]

I encourage you to read the documentation on the measure command and do
a few more tcl tutorials; it will make you more proficient using VMD.

Best,

Ana

On 19/09/14 11:34, Vasumathi Velachi wrote:
> Dear All
> I would like to calculate hydrogen bond between water molecule in
> particular region, if it is not particular region i can use Hbonds
> plugin. So I tried by using measure hbonds 3.5 30 $sel1 $sel2 command
> in tcl script, but it gives indices list not total number of hbonds.
> Is there anyway to get total number or did I missed something?
>
> Thanking you in advance
>