[gmx-users] QM/MM

Adamu, Aliyu aliyu.adamu.12 at aberdeen.ac.uk
Thu Oct 20 12:34:34 CEST 2016

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Hello All,

Please can anyone guide me, I am planning to run QM/MM calculations on GROMACS 4.6.7, is it possible to use CPMD interface on that version of GROMACS? 
If yes, do I need to recompile the GROMACS with the CPMD or how to do that? 
If no, what are the alternatives i need to consider?

many thanks
Aliyu Adamu

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