AMBER: ptraj-closestwaters command

From: Grace Li <>
Date: Sat, 10 Jul 2004 12:14:34 -0400

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,


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Received on Sat Jul 10 2004 - 17:53:00 PDT
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