Hello,
I am trying to perform an MD simulation of a protein with a neutral metal
nanocluster. The metals are in the zero oxidation state. I tried to
parametrize the cluster, but AMBER is treating the metal in its +1
oxidation state.
I am seeking guidance to perform this simulation correctly. If anyone can
help, I would greatly appreciate it.
---
Thanks and Regards,
Rinsha C H
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Received on Sun Feb 09 2025 - 23:00:02 PST
