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 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.
