[gmx-users] perl script for g_hbond

[Justin A. Lemkul]

Olga Ivchenko wrote:
> Hi Leila,
> 
> I am also have a task to calculate H-bonds frequency through the over 
> all trajectory in gromacs. Please can you send me Justin's script. If he 
> does not mind.
> 

I have several analysis scripts available to the public on my website:

http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/scripts.html

-Justin

> Yours sincerely,
> Olga
> 
> 2010/11/29 leila karami <karami.leila1 at gmail.com 
> <mailto:karami.leila1 at gmail.com>>
> 
>     Dear Mark and gromacs users
> 
>     thanks for your time and consideration.
> 
> 
> 
>     you said by multiplying the existence functions for hbonds between protein and water and the hbonds between water 
>     and DNA, then using Justin's script, I can obtain percentage each water medited hydrogen bond during trajectory. 
> 
> 
>     and also you said I need to create a corresponding index file too.
> 
>     I don't know where should I start for multiply two existence functions?
> 
>     please explain about it more.
> 
>     any help will highly appreciated.
> 
> 
> 
>      
> 
> 
> 
> 
> 
>     -- 
> 
>     Leila Karami
>     Ph.D. student of Physical Chemistry
>     K.N. Toosi University of Technology
>     Theoretical Physical Chemistry Group
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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