Dear votca users, I could successly generate the distributions and pot for bond and angles. Does the same follows for dihedrals? Some how I could not match the potential for dihedral (by Boltzmann Inversion) obtained from votca and inverting the distribution plot myself.
hist ABC.angle *ABC.angle* hist ABCD.dihedral *ABCD.dihedral* tab set T 480 tab set scale angle tab ABC.angle.pot *ABC.angle* tab set T 480 tab set scale dihedral tab ABCD.dihedral.pot *ABCD.dihedral* Chandan -- Chandan kumar Choudhury NCL, Pune INDIA -- 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 http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
