[gmx-users] Select one molecule closest to another molecule for all snapshots

Apramita Chand apramita.chand at gmail.com
Fri Feb 15 10:10:33 CET 2019

Dear Gromacs Users,
I have two kinds of molecules in my system. I want to know the coordinates
of the molecule A that is found closest to molecule B at every snapshot of
the MD trajectory. I am using gromacs 5.1.
I dont have a cutoff, I just want to generate coordinates of the  single
one molecule that is closest at any given snapshot.(for all frames0

How do I do so? Is there any gmx tool?
I tried '-select' statements but am not able to hit upon the right


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