Hi, I want to compile gromacs 2016.1 with ORCA 4.0.1 and I was going through the file CMakeList.txt and I arrived at the following inputs in line 264[1]. So when I compile GROMACS2016 with ORCA this do I have to call this command somehow? Also looking at [1] I see that "None" is mentioned twice. Any insights will really help thanks. ------------------------------------------------- [1] gmx_option_multichoice( GMX_QMMM_PROGRAM "QM package for QM/MM" None none gaussian mopac gamess orca) ------------------------------------------------- -- Gromacs Users mailing list
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