******************************************************* Initiate the NMODE module of AMBER 8 ******************************************************* get vibrational modes ntrun maxcyc ibelly drms 1 100 0 0.10E-04 rcut scnb scee dielc idiel 99.00000 2.00000 2.00000 1.00000 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 = 10 translational and rotational modes will be shifted up | New format PARM file being parsed. | Version = 1.000 Date = 08/14/12 Time = 13:20:59 PARM file has the title: Total memory required : 217978 real words Total memory required : 19446 integer words Maximum nonbond pairs 7749 Duplicated 0 dihedrals Duplicated 0 dihedrals Getting coordinates from file with title: Number of non-bonded pairs = 7202 Number of H-bonded pairs = 0 ***************** ***************** ***************** step = 0 F = -0.109804E+03 GRDMAX = 0.117953E-03 GNORM = 0.317788E-04 E-NONB E-ELE E-HBOND E-BOND 0.11818E+02 -0.38200E+03 0.00000E+00 0.28041E+01 E-ANGLE E-DIHED E-NB14 E-EEL14 0.12949E+03 0.82682E+02 0.14733E+02 0.30669E+02 E-POL E-3BOD 0.00000E+00 0.00000E+00 Root-mean-square gradient of input coords is 3.177878852058610E-005 This is greater than the requested maximum: 1.000000000000000E-005