Re: AMBER: using SALTCON for human cell cytoplasm

From: Carlos Simmerling <>
Date: Sun, 18 Sep 2005 13:11:29 -0400

it might be more appropriate to consider ionic strength
rather than just concentration.

Kenley Barrett wrote:

> Has anyone used SALTCON when simulating a protein in the cytoplasm of
> a human cell? This seems like a tricky task because of the divalent
> cations and what I believe is a negative charge of intracellular
> fluid. If anyone has suggestion on how to appropriately represent
> cytoplasmic salt concentrations, I would be very grateful.
> Thanks very much for your help.
> Kenley Barrett

Carlos L. Simmerling, Ph.D.
Associate Professor           Phone: (631) 632-1336
Center for Structural Biology Fax:   (631) 632-1555
Stony Brook University        Web:
Stony Brook, NY 11794-5115    E-mail:
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Received on Sun Sep 18 2005 - 18:53:00 PDT
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