I have installed the --dev version and running the settings.xml (attached above). I get the following error:
*csg_get_interaction_property: bondtype 'bonded' needs a mapping file (cg.inverse.map in xml) to determine the actual bond type (when calling from csg_call better use --ia-type b**ond, angle or dihedral)* But it is nit clear in the manual what format is it in: - *map* Special mapping file for rdf calculations needed for bonded interactions As I understand it is called within functions_common.sh and in manual it says *cg.inverse.map (optional) * I never had to use it before, could you advise me on it, please. -- You received this message because you are subscribed to the Google Groups "votca" group. To view this discussion on the web visit https://groups.google.com/d/msg/votca/-/tLVB8dNYKEQJ. 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.
