Dear amber users,
I have a question about QM/MM.
I am starting to use QM/MM package with amber16. I want to perform a QM/MM minimization of my system followed by a QM/MM simulation, using a snapshot of the MD simulation of my system already performed with amber.
In order to do that I want to perform a DFT calculation only using AMBER with any external program. This is possible??
Thank you in advanced for your help
Sincerely
Anna
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Received on Fri Jul 29 2016 - 07:00:04 PDT
