[gmx-users] Cobalt in Gromacs

[Anthony Ivetac]

Thanks for the link.

How can I determine exactly which parameters I would need to gather for
a transition metal like Cobalt and which file for my force-field would I
need to add them to?

Tony


>> I am interested in running some Gromacs simulations on systems
>> containing Cobalt. Has anyone ever managed to obtain force-field
>> parameters for Cobalt, and implemented them in Gromacs?
>>

> Hi
> Look at this:http://www.chem.colostate.edu/mmac/uff.html
> It?s very good.
> []?s