Hi After the two commands, grompp_mpi -v -f minim.mdp -c 6LYZ.gro -p 6LYZ.top -o 6LYZ-EM-vacuum.tpr
mpiexec -np 16 mdrun_mpi -v -deffnm 6LYZ-EM-vacuum Fatal error: pbc type no is not supported with domain decomposition, use particle decomposition: mdrun -pd What does it mean? Thank you Lin
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