******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* File generated by mm_pbsa.pl ntrun maxcyc ibelly drms 1 100 0 0.10E+01 rcut scnb scee dielc idiel 99.00000 2.00000 1.20000 4.00000 0 nsave dfpred bdwnhl smx emx alpha ndiag 20 0.01000 0.10000 0.08000 0.30000 0.80000 10 ipol = 0 i3bod = 0 nvect = 0 Binary format used for input coords. | New format PARM file being parsed. | Version = 1.000 Date = 01/07/02 Time = 15:05:50 PARM file has the title: Total memory required : 20855890 real words Total memory required : 848379 integer words Maximum nonbond pairs 769419 Duplicated 0 dihedrals Duplicated 0 dihedrals Getting coordinates from file with title: Number of non-bonded pairs = 762643 Number of H-bonded pairs = 0 ***************** ***************** ***************** step = 0 F = -0.125868E+03 GRDMAX = 0.607568E+01 GNORM = 0.713375E+00 E-NONB E-ELE E-HBOND E-BOND -0.62929E+03 -0.41600E+03 0.00000E+00 0.22259E+02 E-ANGLE E-DIHED E-NB14 E-EEL14 0.13944E+03 0.32262E+03 0.23728E+03 0.19782E+03 E-POL E-3BOD 0.00000E+00 0.00000E+00