Reading parm file (p450.prmtop) title: mm_options: ntpr=2 mm_options: ntpr_md=10 mm_options: gb=2 mm_options: kappa=0.127315 mm_options: cut=15.0 mm_options: rgbmax=15. mm_options: diel=C mm_options: rattle=1 mm_options: gamma_ln=10.0 allocating space for 57357902 non-bonded pairs iter Total bad vdW elect. cons. genBorn frms ff: 0 -9917.74 9031.65 -1834.30 -11903.97 0.00 -5211.13 1.27e+01 md: 1 0.001 4569.42 -9920.81 -5351.39 305.69 ff: 2 -9931.42 9027.28 -1837.68 -11905.10 0.00 -5215.92 1.27e+01 ff: 4 -9959.64 9013.85 -1848.90 -11903.08 0.00 -5221.51 1.26e+01 ff: 6 -9980.91 9007.92 -1864.83 -11896.75 0.00 -5227.26 1.26e+01 ff: 8 -9989.77 9010.02 -1878.53 -11890.60 0.00 -5230.67 1.25e+01 ff: 10 -9984.03 9019.54 -1887.52 -11885.16 0.00 -5230.89 1.25e+01 md: 10 0.010 4616.08 -9984.03 -5367.95 308.82 ff: 12 -9970.16 9034.05 -1896.40 -11879.80 0.00 -5228.01 1.25e+01 ff: 14 -9964.75 9040.78 -1908.45 -11874.63 0.00 -5222.45 1.25e+01 ff: 16 -9969.75 9033.24 -1918.26 -11867.79 0.00 -5216.94 1.25e+01 ff: 18 -9975.64 9019.77 -1922.80 -11859.44 0.00 -5213.18 1.25e+01 ff: 20 -9968.06 9015.72 -1921.76 -11850.27 0.00 -5211.74 1.25e+01 md: 20 0.020 4603.34 -9968.06 -5364.71 307.96 md returns 0; elapsed time was 36.400