Ok, i tried but one problem how i will fix the 4 coordinated atom and its
corresponding potential energy ?? only i need this data.
Ok, i tried but one problem how i will fix the 4 coordinated atom and its
corresponding potential energy ?? only i need this data.
use an atom style variable that has the value of the potential energy
multiplied by 1, if the coordination number is 4 or otherwise by 0.
the zeros can be easily discarded from the histogram.
axel.