[gmx-users] Arguments to g_rdf

[Andreas Kring]

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