Hello,
Two questions. First, what parameters are to be modified if I want to
reduce the output data in the .trr output file in a constraint pull. I am
reaching the 4GB allowable maximum and the simulation is shutting down.
Second, what command should be used in order to generate a Force Extension
curve from the output .xtc, .trr, and/or .pdo files. Any help is appreciated.
______________________________
Venkatesh Hariharan
Pennsylvania State University
Schreyer Honors College
Undergraduate - Bioengineering
"You must be the change you wish to see in the world."
--Mohandas Karamchand Gandhi
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