On Tue, Jul 12, 2022, 23:14 梅乐 <[email protected]> wrote: > Dear Sir > > When i use the comand csg_stat --top topol.tpr --trj traj.trr --cg > water.xml --options settings.xml, it occurs that Topology does not have > beads of type "S1" > This was specified in type1 of interaction "MSN-MSN". I feel very > confused, since i use the all-atom md.tpr and then all-atom md.trr > according to the manual. i don't know why it happens?
I would run "csg_dump --top tool.tpr --cg water.xml" to see what beads Votca sees. If you want to map multiple molecule types you have to specify multiple mapping files as well. E.g. with --cg 'water.xml;man.xml' Christoph > -- > 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/eeda7631-14de-4807-95f7-6053708b604en%40googlegroups.com > <https://groups.google.com/d/msgid/votca/eeda7631-14de-4807-95f7-6053708b604en%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/CAHG27e5fRTUX_V_uiRKQ%2Bs0wvW0r7uFHsdO_zP8ZDCx_%2BKzNgQ%40mail.gmail.com.
