[gmx-users] Atoms in radius of X nm (linking atoms in selection by AND not OR)

Marc Hoemberger hoemberg at brandeis.edu
Thu Mar 29 14:16:36 CEST 2018

HI Gromacs users,

I am trying to count water molecules within 1.5nm of a selection residues.
Now I know that for a general counting of all water atoms within a radius
of a set of atoms I can use trjorder, however what I would like to do is to
have *only water molecules that satisfy the distance condition for all the
atoms in my selection*.

Is there a way to do such an analysis that I just did not see in the
manual, or do I have to use other programs to achieve such a goal?

Thanks in advance,

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