Re: [AMBER] Question about Parmbsc1 Force Field

From: Dan Gil <dan.gil9973.gmail.com>
Date: Thu, 1 Mar 2018 14:38:39 -0500

Thank you very much everyone!

Dan

On Thu, Mar 1, 2018 at 11:32 AM, ABEL Stephane <Stephane.ABEL.cea.fr> wrote:

> Hi Dan
>
> it refers to the following experimental paper
>
> [1] J. Applequist, J.R. Carl, K.K. Fung, An Atom Dipole Interaction Model
> for Molecular Polarizability. Application to Polyatomic Molecules and
> Determination of Atom Polarizabilities, J. Am. Chem. Soc. 94 (1972) 2952
> –2960.
> https://pubs.acs.org/doi/pdf/10.1021/ja00764a010
>
> HTH
>
> Stéphane
>
> ________________________________________
> De : Dan Gil [dan.gil9973.gmail.com]
> Envoyé : jeudi 1 mars 2018 16:09
> À : amber.ambermd.org
> Objet : [AMBER] Question about Parmbsc1 Force Field
>
> Hi,
>
> I am using parmbsc1 and I am looking for the original papers for the source
> of some of the force-field parameters.
>
> I am having trouble with finding the source for Na+ ion parameters. I see
> "Applequist" in the files, but I have no idea what it means and where it
> leads to.
>
> If you could help me find the source, that would be greatly appreciated!
>
> Best Regards,
>
> Dan Gil
> PhD Student
> Department of Chemical and Biomolecular Engineering
> Case Western Reserve University
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Received on Thu Mar 01 2018 - 12:00:03 PST
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