[gmx-users] QM/MM in Gromacs-5.1.4?

Albert mailmd2011 at gmail.com
Wed Aug 2 15:01:32 CEST 2017


I would like to use ORCA as a QM engine for Gromacs QM/MM simulation. I 
am just wondering shall we add additional options to cmake when we 
compile Gromacs?

Thanks a lot


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