[AMBER] Adding Na+

From: Anuja Ware <ware.anuja.p.gmail.com>
Date: Wed, 17 Jul 2019 20:51:03 +0530

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.

AMBER mailing list
Received on Wed Jul 17 2019 - 08:30:02 PDT
Custom Search