The `.eny' energy summary files created by the utility program ego2crd
list the energy breakdown at each integration step in the usual units. The file
starts with three numbers giving the number of coment lines, the number of
energy columns and the number of energy lines. Energy columns are separated by
white space.
For energy analysis use only the positive integration step numbers.
2 15 1293 [Clock]=seconds, [Temperature]=K, [Energies]=kcal/mol IntStep Clock Temperature Total Kinetic Electrostatic VDW Bonded Angle ... 0 4.341 329.27 -866.1942 518.2215 -1414.745 -260.334 75.33292 94.56998 ... 1 6.11 299.24 -900.6289 470.962 -1413.93 -262.3529 83.48541 98.46636 ... 2 4.822 286.46 -900.3844 450.8502 -1413.766 -266.1185 94.69375 107.5519 ... ...