[gmx-users] Precision about the "-surf" option in rdf calculation (gromacs 5.1.4)

Ambroise De Izarra fallout_man at hotmail.fr
Sat Mar 17 14:32:16 CET 2018

Dear All,

I am Puzzling to understand what does -surf option implies in rdf calculation.

Let suppose I merge  6 atoms into a group (I have a total of 72 atoms (=12 particles)).

For instance, when I consider one atom (let's call it A) among the 6 into a particle, would it mean thatfor the other remaining particle, the closest atom to A will be keep for rdf calculation?

Best regards,

Ambroise de Izarra.

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