[ADF-LIST] ADF GUI help :ReaxFF molecular fractions

Gayani Nadeera Pallewela (Dr) gayani at ntu.edu.sg
Mon Oct 9 11:19:05 CEST 2017

Dear All,

As shown in the ADF tutorial I was able to obtain the molecular fractions of the simulated system.
I want to plot the ratio of Number of particular molecular type/Initial number of molecules with the time.

As I understood Max option give the absolute number of molecules.
Is there any way that I can get Number of particular molecular type/Initial number of molecules plot.
Do I have to use a separate script to do this using  .rxmolfra file as an input?

Thanks and regards,
Gayani

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