Reading parm file (gbrna.prmtop) title: PDB 5DNB, Dickerson decamer old prmtop format => using old algorithm for GB parms mm_options: ntpr=5 mm_options: gb=1 mm_options: kappa=0.10395 mm_options: rgbmax=99. mm_options: cut=99.0 mm_options: diel=C mm_options: tempi=300. mm_options: tautp=99999. mm_options: rattle=1 iter Total bad vdW elect. cons. genBorn frms ff: 0 -4107.50 906.22 -192.79 -137.96 0.00 -4682.97 1.93e+01 md: 1 0.001 384.87 -4176.22 -3791.35 314.41 ff: 5 -4176.18 799.86 -189.41 -103.47 0.00 -4683.16 1.45e+01 ff: 10 -4162.38 807.28 -188.93 -96.53 0.00 -4684.19 1.40e+01 md: 10 0.010 371.06 -4162.38 -3791.32 303.13 ff: 15 -4168.37 795.58 -185.61 -97.92 0.00 -4680.43 1.37e+01 ff: 20 -4184.93 778.90 -182.84 -102.21 0.00 -4678.79 1.36e+01 md: 20 0.020 393.46 -4184.93 -3791.47 321.43 md returns 0