Hi, I think that there is a bug in csg_call, version 1.3-dev hgid: 2399d10e948e. The following command: csg_call --ia-type non-bonded --ia-type C6 --options table.xml convert_potential gromacs B4-B4__extrapolate.pot table.xvg fails with: csg_get_interaction_property: bondname is undefined (when calling from csg_call set it by --ia-name option) It fails not matter what the value for "--ia-type" is.
However, the same command works for version 1.2.4 hgid: 53b14819554c. I can send the input B4-B4__extrapolate.pot and table.xml files, though they are pretty standard. Best, Albert -- 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.
