Chemistry, Computational Chemistry, Molecular Dynamics, Gromacs, Programming.
From the compiler command prompt, navigate to the folder where GROMACS source files have been extracted. Run the following commands in order (if using Intel MKL): set CC=cl set CXX=cl cmake -G"NMake Makefiles" -S. -B./build -DGMX_GPU=off -DGMX_FFT_LIBRARY=mkl -DCMAKE_BUILD_TYPE=Release