Hi Sergio, can you be a bit more explicit, what (not) happens? I quickly tested the propane tutorial: $ pwd $HOME/votca/src/tutorials/propane/ibi $ csg_inverse --options settings.xml #for version 1.1 remove --options For a more verbose log see: inverse.log We are doing Method: ibi Prepare (dir step_000) Using initial guess from dist A-A.dist.tgt for A-A ...
It seems to work for me. Which version are you using? (see csg_stat --help) Which command did you execute to start ibi? Cheers, Christoph 2011/6/6 chemistry <[email protected]>: > Hello all!!! > > I'm just started to use votca and at the moment I'm going threw the > tutorial. But I've got some problem with IBI procedure. In general I > understood what mean every parameter in the "setting.xml" file but I > have a problem when I'm trying to submit the calculation: nothing > happened. Can anyone tell me what exactly I may have missed in the > standart "setting.xml" file for propane. I'll appreciate any advise, > thanks a lot in advance! > > Sergio > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > 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. > > -- Dr. Christoph Junghans Votca Core Developer Web: http://www.votca.org -- You received this message because you are subscribed to the Google Groups "votca" group. 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.
