Re: AMBER: Proton Parameters

From: David A. Case <>
Date: Wed, 20 Aug 2008 11:12:02 -0600

On Thu, Aug 14, 2008, Shultz, Jack wrote:

> Does anyone have any force field parameters for protons?

Protons pe se don't exist in isolation in aqueous environments. They
are always chemically bound to water molecules, in the form H3O+, H5O2+,
etc. So, MM parameters for protons essentially don't exist.


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Received on Sun Aug 24 2008 - 06:07:16 PDT
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