[gmx-users] Heavy metals parameterisation

Alex Mathew alexmathewmd at gmail.com
Sun Apr 9 12:04:02 CEST 2017


Dear Gromacs users,

I would like to study heavy metals (cadmium, mercury, lead, Arsenic,
platinum and Chromium) interaction with proteins using charm36 ff.  Where
and how I can get parameters for these heavy metals ions.? If it is not
available where i should start, to develop the parameters for the same.

Alex


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