VMD-L Mailing List
From: M K (mahyar.karimi20_at_gmail.com)
Date: Wed Nov 12 2014 - 17:54:44 CST
1- For atoms selection:
2- For H-bonds, see:
3- For MSD, I found this:
On Thu, Nov 13, 2014 at 6:52 AM, Bharat Sharma <bharatsolbridge_at_gmail.com>
> Hello again,
> I figured it out how to call functions to select atoms, but how to deal
> with Periodic atoms and calculate hydrogen bonds within selection only?
> Thank you.
> On Wed, Nov 12, 2014 at 1:38 PM, Bharat Sharma <bharatsolbridge_at_gmail.com>
>> Hello Experts,
>> I am interested in doing some MSD analysis for subset of my simulation
>> box. Basically I want to call different functions on TCL window. I have
>> some questions regarding calling VMD subroutines on TCL window.
>> How do I call the functions to do following tasks?
>> 1) to call selected atoms (for example: name O within 3 of index 123)
>> 2) number of hydrogen bonds within selection
>> 3) MSD of selected systems.
>> Any suggestions are expected very helpful and appreciated.
>> Thank you.