Problems w/ log rxn scale when plotting

[Lisa Streit]

I have been running reactions with delxi=10^-6, and when I plot the results with log rxn on the x-axis, it goes down to -6. However, I keep running this one reaction with delxi=10^-6, but it only gives me results for down to log rxn = -2.5. Why might this be?

[Tom Meuzelaar]

I have been running reactions with delxi=10^-6, and when I plot the results with log rxn on the x-axis, it goes down to -6. However, I keep running this one reaction with delxi=10^-6, but it only gives me results for down to log rxn = -2.5. Why might this be?

 

Hi Lisa:

 

The plotting variable equivalent of the delxi variable is dxplot. If you set this to the same value as delxi, GWB will plot every reaction path increment. Be careful though, plotting a million reaction path steps can result in an exceedingly large graphics file.

 

Hope that helps,

 

Tom Meuzelaar

RockWare, Inc.