Reading parm file (mb.prmtop) title: mm_options: nsnb=10 mm_options: ntpr=20 mm_options: ntpr_md=20 mm_options: gb=1 mm_options: kappa=0.14701 mm_options: cut=20.0 mm_options: diel=C mm_options: rgbmax=15. mm_options: rattle=1 mm_options: tautp=999999. allocating space for 6207572 non-bonded pairs iter Total bad vdW elect. cons. genBorn frms ff: 0 -3291.46 2691.01 -622.96 2137.48 0.00 -7496.98 1.71e+01 md: 1 0.001 1515.29 -3376.03 -1860.74 307.72 ff: 20 -3487.88 2421.17 -600.73 2206.92 0.00 -7515.24 1.21e+01 md: 20 0.020 1626.14 -3487.88 -1861.74 330.23 ff: 40 -3430.08 2372.50 -513.31 2394.98 0.00 -7684.24 1.21e+01 md: 40 0.040 1569.35 -3430.08 -1860.72 318.70 ff: 60 -3530.84 2194.04 -459.56 2336.45 0.00 -7601.77 1.17e+01 md: 60 0.060 1669.11 -3530.84 -1861.72 338.96 ff: 80 -3432.26 2278.34 -451.37 2389.59 0.00 -7648.83 1.20e+01 md: 80 0.080 1571.62 -3432.26 -1860.64 319.16 ff: 100 -3482.08 2369.77 -540.92 2513.68 0.00 -7824.61 1.25e+01 md: 100 0.100 1621.19 -3482.08 -1860.89 329.23 Timing summary: bonds 0.0 angles 0.1 torsions 0.2 pairlist 1.8 eff. radii 17.1 nonbonds 28.1 diag. GB 22.0 constraints 0.0 Total 69.3