Hi Amber users,
Just wondering if someone can clarify what this sentence means in the ptraj
documentation for closestwaters:
"If "oxygen" or "first" are specified, only the distance to the first atom
in the solvent molecule (to each atom in the mask) is measured. "
Also is it possible to select waters that are closest to atoms rather than
just residues?
Thanks for your help,
G.
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Received on Sat Jul 10 2004 - 17:53:00 PDT
