GROMACS version: 2023.1 GROMACS modification: Yes/No Dear users, I have to deal with a simulation of a protein containing two zinc ions, tetrahedrally coordinated but with two different sets of ligands. In the first case, one zinc is bound by four cysteines residues - and I guess all of them should be in anioni form - whereas in the second case, one zinc is coordinated by two cy…

GROMACS version: 2021.4 GROMACS modification: Yes/No Hi, I am getting this error while installing gromacs 2021.4 please help me with it. I configured cmake as follows: cmake … -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ -DGMX_MPI=ON -DGMX_GPU=CUDA -DGMX_SIMD=AVX2_256 -DCMAKE_PREFIX_PATH=/usr/local/gromacs2021 -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs2021 -DBUILD_SHARED_LIB…