Hello all, In GROMACS installation in a cluster, after running the command: ‘cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON’ I have faced the error (attached pictures). I would be thankful if you could help me to fix it. 1 post - 1 participant Read full topic

GROMACS version:2022.4 GROMACS modification: No Dear users, I am trying to center the protein in the center of the dodecahedron box before solvating but GROMACS doesn’t do it. Is it a bug? But it works properly for the cubic box. I mean it centers the protein in the center of the cubic box. Here is my command: gmx editconf -f protein.gro -o newbox.gro -bt dodecahedron -d 1.2 …