Energy Status Display

The status display lists the energies of the system at the current integration step along with the temperature and the amount of wall clock time required per integration step. The following display shows a sample output from a BPTI run.

ELECTROSTATIC energy: -1414.745 kcal/mol.
VAN DER WAALS energy: -260.334 kcal/mol.
BONDED energy.......:  75.33292 kcal/mol.
ANGLE energy........:  94.56998 kcal/mol.
DIHEDRAL energy.....:  110.3339 kcal/mol.
IMPROPER energy.....:  10.42692 kcal/mol.
RESTRAINT energy....:  0 kcal/mol.
SBOUND energy.......:  0 kcal/mol.
HBOND energy........:  0 kcal/mol.
FLOODING energy.....:  0 kcal/mol.
KINETIC energy......:  518.2215 kcal/mol.
TOTAL energy........: -866.1942 kcal/mol.
TEMPERATURE.........:  329.27 K.
Integration step....:  0 (0 fs)
Time per step.......:  1.503 seconds.