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
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>
>
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Received on Fri Mar 02 2018 - 07:30:03 PST
