Hi all
I have a short question. Could you please tell me what do the columns in pull.pdo (output file from AFM) stand for. Is there a simple way to obtain forces from AFM pulling? Thank you for help.
Michal



As an example, with one pulling group, and pulling in 3D, the output columns read:

Time, Reference group X, Reference group Y, Reference group Z, Pull Group X, Pull Group Y, Pull Group Z, Spring X, Spring Y, Spring Z

for a total of 10 columns.

If you didn't pull in 3D, you'll only get output for the dimensions where pulldim was set to Y in your .ppa file. I'm not sure how multiple pull groups are handled.

I have a script to calculate the forces for pull runs using only one pull group in 3 dimensions that I can share on request.

-Emily Walton
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