Re: AMBER: NaCl ion pairs in TIP3P water box

From: Pascal Auffinger <P.Auffinger.ibmc.u-strasbg.fr>
Date: Thu, 25 Sep 2003 15:30:08 +0200

May be you could use another water model and adapted ion parameters.
For us, the SPC/E water model gives "acceptable" results for KCl solutions
even at 1.0M. Yet, the balance between all the forces present in these
systems that is certainly also concentration dependent is far from being
clearly established.

Good luck,


pascal

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pascal auffinger
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Received on Thu Sep 25 2003 - 14:53:01 PDT
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