atom_style molecular boundary m m m units real pair_style lj/cut 14.0 bond_style harmonic angle_style charmm dihedral_style charmm read_data sheet.data.txt pair_coeff 1 1 0.070000 3.550053 bond_coeff 1 305.000000 1.375000 angle_coeff 1 40.000000 120.000000 35.000000 2.416200 dihedral_coeff 1 3.100000 2 180 0.0 write_dump all image one-sheet.jpg type type size 960 960 replicate 1 1 2 write_dump all image two-sheets.jpg type type size 960 960 write_data two-sheets.data.txt minimize 0.0 0.0 1000 100000 write_dump all image after-min.jpg type type size 960 960 write_data after-min.data.txt