Dear Emiliano, you could have grepped for the error message :) The check is in csg/src/libcsg/map.cc line 146, in the function Map_Sphere::Apply(). You can just set the max_dist to something very high.
Are you sure you want to do that, so you mean you map a whole polymer chain to a single bead? Anyhow, the check was mainly introduced to avoid that atoms of a coarse-grained beads are unintentionally broken along boundary conditions, so if you make sure that molecules are not wrapped you should be save (trjconv -pbc mol). Best, Victor 2012/2/20 Emiliano Brini <[email protected]>: > Hi everyone, > > I need to map a simulation where the size of polymeric chains is close to 1/2 > box size. I know that remove this check is dangerous, but I already make sure > that I don't have broken molecule. Where do I find it? > > Thanks > > Emiliano > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
