[gmx-users] perl script for g_hbond

[Olga Ivchenko]

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.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
>
>
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101129/922bbbbb/attachment.html>