[gmx-users] parameterization of new metal ion

priya thiyagarajan priya.thiyagarajan09 at gmail.com
Thu May 17 08:17:39 CEST 2012

Respected sir,

i want to add metal ions Ni2+ and co2+  during my  simulation.

can anyone help me how to set parameters to define new ion Ni2+ and co2+
in gromacs forcefield..

i edited in ions.itp file and tried but i got error atomtype not found..

can anyone please explain me elaborately how to set parameters ..

please help me with your answer..

Thanking you,
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