Just to add to what Sikandar said, two examples: If you pick all mapping coefficients to be 1.0, you will get a center of geometry mapping. If you pick all mapping coefficients to be the charge of the bead, you will get a center of charge mapping.
2015-10-20 7:52 GMT-06:00 Sikandar Mashayak <[email protected]>: > Hi Nickya, > > In VOTCA, there is no such restriction that CG bead must be at center of > mass. You can choose any site for the CG bead by specifying corresponding > mapping coefficients. You can find more info in the manual- see mapping > sections in chapter 2 and 3. > > Best, > Sikandar > > On Tue, Oct 20, 2015 at 12:31 AM, <[email protected]> wrote: >> >> Hello all, >> >> It is a default setting that a CG bead is chosen to be the center of mass >> of a group. >> I need a CG bead is chosen to be anywhere I want, but there is no guide >> about this in manual or tutorial. >> Can VOTCA implement this function? >> >> Thanks in advance, >> Nickya >> >> -- >> 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/d/optout. > > > -- > 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/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- 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/d/optout.
