[gmx-developers] gmx with ORCA (QM/MM)

Sylwia Kacprzak sylwia.kacprzak at physchem.uni-freiburg.de
Wed Nov 2 14:06:06 CET 2016

Dear all,

I am trying to compile Gromacs 5.1 with ORCA for QM/MM calculations.

The instruction from www http://wwwuser.gwdg.de/~ggroenh/qmmm.html

does not work for 5.1. Can you please help me further?

Thanks in advance

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