Hello,
I am doing QM/MM calculations. Before minimisation, I have added four Na+
ions to neutralize my system using 'addions2 Na+ 0' command. Among them,
one of Na+ get added into my qm part and I don't want it in the qm
interactions. So, how can I remove this Na+ and add it to another place in
order to neutralize the system?
Please help.
Thank you.
Anuja.
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Received on Wed Jul 17 2019 - 08:30:02 PDT
