[AMBER] Question about QM/MM

From: Anna Cebrian Prats <Anna.Cebrian.uab.cat>
Date: Fri, 29 Jul 2016 13:45:19 +0000

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



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Received on Fri Jul 29 2016 - 07:00:04 PDT
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