VMD-L Mailing List

From: Vasumathi Velachi (vas_at_fc.up.pt)
Date: Fri Sep 19 2014 - 06:10:48 CDT

Dear Ana
Thanks. Sure I will do 

---
Vasumathi Velachi
Em 2014-09-19 11:57, Ana Celia Vila Verde escreveu:
> 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
>>