[AMBER] detecting bridging waters and ions with cpptraj

From: Stefan Ivanov <bindqgodzgun.abv.bg>
Date: Fri, 18 Jan 2019 12:48:17 +0200 (EET)

Dear Amber users,
  I need to identify bridging waters and ions in a protein - ligand simulation (the ligand is parameterized with GAFF). I am not sure how the "bridgeout" keyword works. The manual says it detects bridging solvent molecules, but I don't know if that applies to ions. I need to detect bridging ions, if any, along with bridging water molecules, if any. Also, how exactly is "bridging" defined here?
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Received on Fri Jan 18 2019 - 03:00:03 PST
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