Hi
In settings.xml when a target distribution need be specified, you can use atomistic rdf from gromacs (for example) or use a coarse grain rdf generated from atomistic dynamics, using csg_stat, but including coarse grain mapping. Both are close but not equal, which one must be prefered ? Thanking in advance your help. Marc Dr. Marc Segovia CCBG-DETEMA Facultad de Quimica Universidad de la Republica 11800 Montevideo Uruguay -- 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.
