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The five-membered cyclic hydrocarbon with CH2OH polar group is alternately copolymerized with ethylene. In order to stabilize the density, the compression is carried out in stages.The density of each segment is convergent, but the density will change at the beginning of the next segment. Generally speaking, the density presents periodic fluctuations and has not converged.But the density without polar groups is relatively stable.
mpirun -np 4 gmx_mpi mdrun -ntomp 6 -gpu_id 0123
Adopt Berendsen thermal bath and Berendsen pressure control