[gmx-users] Parametrization of Mn(ii) in charmm force field

Pranav BVN prathegreat2204 at gmail.com
Thu Mar 12 05:25:53 CET 2020


Greetings,
I'm searching for a method to use Mn(ii) ions in a protein ligand
simulation using charmm-36 ff in gromacs. But I donot seem to get any entry
in ffnonbonded.itp in the charmm36-all-atom-ff directory. Is there any way
to run the simulation with Mn using charmm36? Is there any way to
achieve this?


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