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 - 09:00:03 PST
