Hello amber user,
I try to extract energy information from my output files. In order to do
so, I use the the 'process_mdout.perl' script. Since the ETOT.summery is very large that I can't see all the energy points in the Ecexl, is there a way to reduce the number of energy point by some changes in 'process_mdout.perl' script? e.g. save points every 500 steps?
If I cant how could I see all points, with which program?
Thank you for replying.
Homa
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Received on Sun May 30 2010 - 18:30:03 PDT
