parm vac.cis1.top trajin traj.nc dihedral Phi_Pro :5@C :1@N :1@CA :1@C out dihe-traj.dat run list clear datasets list readdata dihe-traj.dat name BB dataset BB[*] mode torsion matrix dihcovar dihedrals BB[*] out dihcovar-phipsiomega.dat name DIH diagmatrix DIH vecs 30 out modes.dihcovar-phipsiomega.dat name DIHMODES run