2015-12-22 15:04 GMT-07:00 Chang Woon Jang <[email protected]>: > 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? csg_boltzmann uses a different format for table than csg_inverse (sec. 3.6). csg_boltzmann writes the force in 3rd column.
Cheers, Christoph > > 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. -- Christoph Junghans Web: http://www.compphys.de -- 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.
