[gmx-users] writing trajectory with water molecules within a distance from protein

[maria goranovic]

Dear experts

I have a protein simulation in a water box. I now want to write a trajectory
containing only the protein, and water molecules within 5 Angstroms of the
protein, with the water list being updated each time step. How can one do
this? Appreciate the help

-- 
Maria G.
Technical University of Denmark
Copenhagen
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