[gmx-users] force field parametrs for Mn2+

[tarak karmakar]

Oh !! nice work
Thanks a lot for the quick reply. But I'm very sorry to inform you
that whichever table [supplementary table S4] you are specifying in
the supporting info, I couldn't find anywhere. So, may be I'm finding
my way in wrong track. Can you please provide me the link and / the
table containing the parameters for the Manganese ?
Thanks in advance.

Tarak

On Mon, Jul 9, 2012 at 4:58 PM, andrea spitaleri
<spitaleri.andrea at hsr.it> wrote:
> Hi,
> we published recently a paper where we determined the oplsaa parameters for
> Mn2+;
> have look to (supp mat):
>
> http://onlinelibrary.wiley.com/doi/10.1002/anie.201202032/abstract
>
>
> hope it helps
>
>
>
> On 07/09/2012 12:21 PM, tarak karmakar wrote:
>>
>> Dear All,
>>
>>
>> Please suggest me any paper/article that contains force field
>> parameters for Mn 2+ .
>>
>> Thanks
>>
>
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-- 
Tarak Karmakar
Molecular Simulation Lab.
Chemistry and Physics of Materials Unit
Jawaharlal Nehru Centre for Advanced Scientific Research
Jakkur P. O.
Bangalore - 560 064
Karnataka, INDIA
Ph. (lab) : +91-80-22082809