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

[Sylwia Kacprzak]

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
Greetings
Sylwia