Oh, yea. Looking at the row numbers you plotted that seems to be the case :)
you can also check the votca potential tables: CG-CG.pot.new / CG-CG.pot.cur Victor 2012/9/25 ms <[email protected]>: > On 25/09/12 15:34, Victor Ruehle wrote: >> >> For me the tutorial seems to run smoothly so far. What worries me a >> bit in your case is the magnitude of the CG-CG potential. Could you >> please send your whole input folder where you run the simulation >> (excluding the step_???) directly to [email protected] ? > > > Wait. I just suspect it was a dumb error on my part -namely, I was probably > plotting the derivatives (force)? > > > > > -- > Massimo Sandal, Ph.D. > http://devicerandom.org > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
