[gmx-users] Arguments to g_rdf

Justin Lemkul jalemkul at vt.edu
Wed Jun 4 15:59:04 CEST 2008

Is this what you are looking for?



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
> [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


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