[gmx-users] parameterization of new metal ion
priya.thiyagarajan09 at gmail.com
Thu May 17 08:17:39 CEST 2012
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..
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