[gmx-users] Arguments to g_rdf

[Justin Lemkul]

Is this what you are looking for?

http://wiki.gromacs.org/index.php/Making_Commands_Non-Interactive

-Justin

Andreas Kring wrote:
> Hello all,
>
> Is it somehow possible to pass arguments to g_rdf from the command 
> line or a file, such that g_rdf will not prompt me for which groups I 
> want to calculate the rdf for?
>
> For example, I have an .ndx file for water containing the groups
>
> [SYSTEM]
> [SOL]
> [OW]
> [HW1_HW2]
>
> and I would like to calculate the oxygen-hydrogen RDF without being 
> prompted by g_rdf?
>
> (the reason is that I have a small Python script running the 
> calculations for me, which could make use of this).
>
> Best regards
> Andreas
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
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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