AMBER Archive (2008)

Subject: Re: AMBER: Proton Parameters

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Wed Aug 20 2008 - 12:12:02 CDT

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.

...dac

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