Thanks Christoph, I added the part you provided to the xml file and it worked.
On Monday, September 15, 2014 10:27:17 PM UTC-5, MSW wrote: > > Hi VOTCA users, > > I have a problem when I execute the "csg_call" command and it gave the > following error: > > # ERROR: > > # > # csg_get_interaction_property: Could not get 'step' for interaction with > name 'bond' from bond.xml and no default was found in > /home/VOTCA/share/votca/xml/csg_defaults.xml # > # Details can be found above > > # > # > > > This the command I used: > > csg_call --ia-type bond --ia-name bond --options bond.xml > convert_potential gromacs bond1_extrapolate.pot table_b1.xvg > > I already re-sample and extrapolate the potential with no problem, > however once I use csg_call to generate table_b1.xvg for the bond it gave > me the previous error. > > I attached the files I used with this post. > > I really appreciate any help. > > Thanks > > Mohammad > -- 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.
