Hi, yep, 1 or 12 will not change the results :) In particular because weights are normalized to 1 when the mapping is processed.
Bye Emiliano On Jun 5, 2013, at 10:16 AM, [email protected] wrote: > > > On Wednesday, June 5, 2013 8:53:26 AM UTC+1, Emiliano Brini wrote: > Hi, > > you can simply set the weight of the alpha carbon to 1 and all the other > atoms of the beads to 0 . > > Bye > Emiliano > > Thank you! > Do you mean 1 or 12? It will not change anything I guess... > > > On Jun 5, 2013, at 9:10 AM, [email protected] wrote: > >> Dear Votca Users, >> >> Would you please advise me how to adjust weights in the xml file in order to >> obtain beads at the centre of mass on Calpa - central carbon atoms? I know >> that for the centre of geometry all weight will be equal but I wish to have >> my beads where Calpha atoms are. >> >> Thank you in advance, >> >> Steven >> >> -- >> 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?hl=en. >> For more options, visit https://groups.google.com/groups/opt_out. >> >> > > > -- > 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?hl=en. > For more options, visit https://groups.google.com/groups/opt_out. > > -- 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?hl=en. For more options, visit https://groups.google.com/groups/opt_out.
