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.

Yours sincerely,
Olga

2010/11/29 leila karami <karami.lei...@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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