[gmx-users] Arguments to g_rdf [SOLVED]

[Andreas Kring]

Exactly what I was looking for!

Thanks a lot!

/Andreas



Justin Lemkul skrev:
> 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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> 


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Andreas Kring, Ph.D.-student
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