VMD-L Mailing List
From: Ana Celia Vila Verde (acavilaverde_at_gmail.com)
Date: Fri Sep 19 2014 - 06:31:36 CDT
To get the total number you can do
set hbondList [measure hbonds 30 $sel1 $sel2]
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.
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