[gmx-users] Re:Data Analysis

lloyd riggs lloyd.riggs at gmx.ch
Mon Apr 16 11:02:40 CEST 2012

Dear All,

Is there a way to extract the pull force (and not the total force or energy) for a specified group (indexed) or center of mass, rather than just the total pullf over a run?  I wanted to break up the pullf into varied sub contributions, however as it is applied to the center of mass of the pull group, I do not know if it is possible.  I am just trying to sort out easier Vs. More complicated means of doing the same thing as there are several methods for achieving the end result I wanted (output plots).

Any suggestions are appriciated as well.


Stephan Lloyd Watkins
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