[gmx-users] other ions

[Erik Lindahl]

David L. Bostick wrote:
> Hi,
> 
> Are there any parameters for the larger halide ions?  .. Br-, I-, etc..
> ions.itp doesn't have any.
> 
> Thanks,
> David

Hi David,

OPLS-AA/L includes a couple of them (check ffoplsaa.atp for details, but 
  Br and I are there as opls_402 and opls_403).

Cheers,

Erik