AMBER Archive (2004)

Subject: AMBER: ptraj-closestwaters command

From: Grace Li (
Date: Sat Jul 10 2004 - 11:14:34 CDT

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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