[gmx-users] Correcting for box jumps in pdo file

bmmothan at ucalgary.ca bmmothan at ucalgary.ca
Fri Oct 12 00:56:26 CEST 2007

Dear all,

I want to know if someone has had the same problem as me. I am running AFM
calculations. when trying to plot the data from the pdo file, I can see
that the coordinates are not fixed for jumps!
The pulled group coordinates sometimes stay the same while the Reference
and spring coordinate jump across the box.
Is there a solution for this?

Thank you


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