Thanks I will have a look at it in the next few days and get back to you! Just to clarify, csg_dump and csg_boltzmann are not printing the same exclusions. csg_dump prints the exclusions read for the topology file when used without a mapping, and the exclusions generated by the coarse-grained bonded interaction when used with a mapping file. The former is gone in atomistic atom numbering, while the latter is done in coarse-grained atomic numbering. While csg_boltzmann prints the exclusions in atomistic numbering generated by the bonded interactions from the mapping to coarse-grained beads.
Christoph On Sun, Dec 27, 2020 at 10:20 nancyfor <[email protected]> wrote: > Here is the file > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > 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 view this discussion on the web visit > https://groups.google.com/d/msgid/votca/1509a4cd-e030-49e6-ba92-9d41f6a3fec6n%40googlegroups.com > <https://groups.google.com/d/msgid/votca/1509a4cd-e030-49e6-ba92-9d41f6a3fec6n%40googlegroups.com?utm_medium=email&utm_source=footer> > . > -- Join us on Slack: https://join.slack.com/t/votca/signup --- 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 view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e4XvND2b2k9vbDT8jUde4kd2aS5mSNjubAp91r7Ed2ujg%40mail.gmail.com.
