AW: Separate water coordinates from graphite

From: Norman Geist (
Date: Wed Nov 13 2013 - 04:58:35 CST

Get the coordinates in which context? From script to process them or written
to a pdb file? For a pdb select your molecule in "VMD Main" window and use
File->Save Coordinates with selection "water". In script, use something


set sel [atomselect top "water"]

$sel get {x y z}


Norman Geist.


Von: [] Im Auftrag
von Mihaela Drenscko
Gesendet: Dienstag, 12. November 2013 20:57
Betreff: namd-l: Separate water coordinates from graphite




I run a simulation of water on graphite. After simulation, how do I get
water coordinates only, separate from graphite?

Thank you,


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