[gmx-users] Ion Parametrization in OPLS-AA forcefield

[Mark Abraham]

srinivas ramachandran wrote:
> Dear All,
> 
> I require the papers in which the original parameters (in ions.itp) for 
> ions in OPLSAA force field was published. Also I would like to if there 
> are any studies in which these ion parameters were benchmarked with 
> experimental values.

"require" is a dangerous word to use when asking for help from people 
you don't know! :-)

There are literature references to the force fields in the GROMACS 
manual - I suggest you start by reading them.

Mark