[gmx-users] Force Extension Curve

VENKATESH HARIHARAN vuh105 at psu.edu
Thu Jul 17 02:44:06 CEST 2008


    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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