[AMBER] regarding "watershell" command of cpptraj

From: Deepshikha Ghosh 19310001 via AMBER <amber.ambermd.org>
Date: Mon, 4 Jul 2022 10:39:35 +0530

Dear users,

Watershell of cpptraj uses 3.4 and 5 angstroms as the cutoff for the first
and second hydration shell respectively. Can anyone please let me know,
what is the basis of selection of these default values as cutoff?

Thanks & Regards
Deepshikha
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Received on Thu Aug 04 2022 - 13:34:06 PDT