Hi Dan,
I am not sure what do you mean by the "Amber force field files" ? If you
are using Gromacs, why do you need the Amber files ?
In Amber, there are several newer ion parameters available (Cheatham,
Li&Merz) .. From your emails, it is not clear what are you actually
trying to use and in which software ... Unless you are more specific, I
guess it would be hard for anybody to give useful answers ....
Vlad
On 03/02/2018 04:24 PM, Dan Gil wrote:
> Hello, I found the references for the Na+ and the Cl- LJ parameters. But
> these are not matching with what I have in GROMACS (I am using GROMACS with
> parmbsc1 force-field that someone else prepared). Is there somewhere I can
> download just the Amber force-field files?
>
> Dan Gil
> PhD Student
> Department of Chemical and Biomolecular Engineering
> Case Western Reserve University
>
>
> On Thu, Mar 1, 2018 at 2:38 PM, Dan Gil <dan.gil9973.gmail.com> wrote:
>
>> 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
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
>>
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--
Vlad Cojocaru, PD (Habil.), Ph.D.
-----------------------------------------------
Project Group Leader
Department of Cell and Developmental Biology
Max Planck Institute for Molecular Biomedicine
Röntgenstrasse 20, 48149 Münster, Germany
-----------------------------------------------
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
http://www.mpi-muenster.mpg.de/43241/cojocaru
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Received on Fri Mar 02 2018 - 08:00:02 PST
