私はこれを使います
set_dihedral atom1_name, atom2_name, atom3_name, atom4_name, angle
例えば
set_dihedral 22/C, 23/C, 26/C, 27/C, 130
だから私はこの原子の二面結合を変えたい
しかし、私が書いたとき:
set_dihedral 23/CA, 23/C, 24/N, 24/CH3, 130
私が持っていた
SetDihedral-Error: Selection 1 doesn't contain a single atom/vertex.
SetDihedral-Error: Selection 2 doesn't contain a single atom/vertex.
SetDihedral-Error: Selection 3 doesn't contain a single atom/vertex.
SetDihedral-Error: Selection 4 doesn't contain a single atom/vertex.