Hi everybody, I am trying to perform the simulation with the propane example in the tutorials. I have two questions concerning the table_a1.xvg file containing the tabulated potential.
i) The second column contains the potential, I am assuming that the units are in kJ/mol (gromacs units), is that correct? ii) The third column (force) is zero in the whole angle interval. Why? Best regards, Javi -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to votca@googlegroups.com. To unsubscribe from this group, send email to votca+unsubscr...@googlegroups.com. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
