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