energyPlot

Read an Xplor-NIH output file from stdin and plot or print energies printed during dynamics and minimization.

Example: energyPlot < script.out

Usage: energyPlot [options]

where options are one or more of:

-noLegend    - do not display the legend in the output plot.
-points      - do not print lines between energy values.
-vsTime      - plot the energies as a function of time, instead of by output
               count.
-printOut    - print a text representation of the energies, instead of a plot.
-reset <string> - if the specified string is seen within a line the output
                  count is reset to zero.
-maxCount <val> - the maximum count to print.
-ymax <val>     - maximum y-value plotted.

Additional common options