[gmx-users] perl script for g_hbond

[Olga Ivchenko]

Dear Justin,

Thank you very much.

best,
Olga

2010/11/29 Justin A. Lemkul <jalemkul at vt.edu>

>
>
> 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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