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

Mark Abraham Mark.Abraham at anu.edu.au
Fri Apr 25 01:15:09 CEST 2008

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.


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