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Example Output Trajectory File Format







REMARK Output file of EGO_VIII on C-Version 
REMARK C by M. Eichinger, H. Grubmueller and H. Heller, 1988-1995

... contents of control file ...

[BEGINCOORD]
568  552001  1  1.000000
9.930929 9.504575 -4.091603
8.971659 8.787418 -5.255728
...
8.105743 8.477091 -6.756792
9.998736 9.040694 -7.383424
[BEGINENERGY]
2  15
[Clock]=seconds, [Temperature]=K, [Energies]=kcal/mol
IntStep Clock Temperature Total Kinetic Electrostatic VDW Bonded Angle ... 
 552001 0.3676 269.27 -1505.217 423.7917 -2009.109 -402.8278 109.4822 ...
...








Helmut Heller
2000-04-19