2017-07-27 16:49 GMT-06:00 M. Chakraborty <maghesre...@gmail.com>: > Hello, > I am trying to retrieve pairwise forces from original gromacs trajectory. I > have tried using csg_fmatch with the -no-map tag. I get nan-s for my forces. > Do I have to change the bond/non-bond section in the options xml file in > anyway before I can use fmatch with -no-map? I am not sure if csg_fmatch can actually work without a mapping file. That is more a question for the other Christoph.
However, I would run csg_stat with a similar option file first to make sure you got the globbing of the particle types right. Christoph > > Thanks in advance. > > M. Chakraborty > > -- > 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 votca+unsubscr...@googlegroups.com. > To post to this group, send email to votca@googlegroups.com. > Visit this group at https://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 votca+unsubscr...@googlegroups.com. To post to this group, send email to votca@googlegroups.com. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
