AMBER: ions in mm_pbsa

From: Fang, Jianwen <>
Date: Thu, 6 May 2004 10:30:12 -0500

        Dear all,
        I am using mm_pbsa to calculate protein-ligand affinity. I used 16 Na+ to neutralize the system. My question is: should I keep ions when I generate complex snapshots? Is the implicit solvent model smart enough to neutralize the charge?
        Thanks in advance,

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Received on Thu May 06 2004 - 16:53:00 PDT
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