Dear Votca Users,
I have used csg_boltzmann with "tab" command to write the
Boltzmann-inverted potential.It gives three columns. In the manual, the format of the file is described in sec 3.6. It states that "Those tables generally have the format x y [error] flag where x is input quantity (e.g. radius, angle), y is the computed quantity (e.g. a potential) and [error] is an optional error for y." However, I do not believe that the third column is error because when I draw the third column as a function of radius (the first column) is much much bigger than the second column. Also, there is no flag. Is this still correct format of Boltzmann-inverted potential file from Tab command of csg_boltzmann as described in Votca Manual? I attached the figure for you. -- Best regards, Changwoon Jang, -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
example_bonded_potential.pdf
Description: Adobe PDF document
