NSTEP ENERGY RMS GMAX NAME NUMBER 1 NaN NaN 7.0794E+01 Cl- 44 BOND = 2.2096 ANGLE = 6.3332 DIHED = 50.3815 VDWAALS = 4116.5341 EEL = -38297.5608 HBOND = 0.0000 1-4 VDW = NaN 1-4 EEL = NaN RESTRAINT = 0.0000