[gmx-users] missing prepare-qmmm.py

Dhr. D.W. Sjoerdsma (d.w.sjoerdsma) d.w.sjoerdsma at umail.leidenuniv.nl
Mon Jul 1 15:06:05 CEST 2019


Hello,

After compiling GROMACS with the MiMiC option, I was not able to locate the
prepare-qmmm.py file. I do not know whether this is a result of a faulty
installation or if it is something else

I used the following flags:

-DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_DOUBLE=ON -DGMX_
MIMIC =ON -DCMAKE_INSTALL_PREFIX:PATH=/home/derk/Prog/gmx19 -DGMX_MPI=ON
-DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx

Sincerely,
Derk Sjoerdsma



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