[gmx-users] Automatic calculation of several RDFs

Behnam Ghalami ghalamichoobar at gmail.com
Thu Feb 14 06:18:33 CET 2019

Dear all

I want to obtain  the change of RDFs for 1ns interval during simulation. My
simulation time is 200 ns. Since my simulation box is large, it's time
consuming. Is it possible to define a script to calculate RDFs one after
another? Let me rephrase my question. Can I select the groups, which RDF is
needed, in gmx rdf command?

Thanks in advance,
Best regards
Behnam Ghalami Choobar
PhD Candidate in Chemical Engineering
Amirkabir University of Technology, Tehran-Iran

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