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.
