Hello. Just a quick question. Could someone point me in the direction of where to find the units of the numbers in the summary files produced by process_mdout.perl. My summary.EPTOT file, seems to have time units of picoseconds, and I am not sure what the potential energy units are, but I am pretty sure they are NOT kcal/mol. Anyways, some guidance would be helpful. I am trying to figure out what how I should label my graphs in gnuplot!
Best wishes,
-Hunter
Hunter Brown
Bassoonist, Contrabassoonist, Composer, Chemical Engineering Major
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Received on Mon Jul 08 2013 - 15:30:03 PDT
