Am 17.06.2015 05:12 schrieb "Feng Huo" <[email protected]>: > > Hi, > > I have download the votca-dev code. Then I can test the lammps example. But I have a trouble about the csg_stat. There are some errors as below: > > Running critical command 'csg_stat --nt 16 --options /home/ylzhao/csg-tutorials/spce/ibi_lammps/settings.xml --top topol.xml --trj traj.dump --begin 0 --first-frame 0' > > an error occurred: > boost::bad_any_cast: failed conversion using boost::any_cast > > Could anyone can help me? The conversion errors are usually triggered by typos in the XML files. Did you change something from the original tutorial? Could you share the XML files with us?
Christoph > > Feng > > 在 2015年6月16日星期二 UTC+8下午11:03:15，Christoph Junghans写道： >> >> Hi, >> >> next time, please post your question to our mailing list >> <[email protected]>, so that others can learn from it. >> And it would help if you could please include the error message >> generated by csg_inverse and a patch of your suggested modifications >> to the inverse script and the lammps interface. >> >> Thanks, >> >> Christoph >> >> >> 2015-06-16 8:45 GMT-06:00 Feng Huo <[email protected]>: >> > >> > Dear Junghans, >> > >> > I have download the votca.csg from the google code. I have compiled the >> > software, and it sounds very promising. But I have a little problem about >> > the interface for lammps. The csg.tutorials have some lammps examples, but >> > I did not run correctly. I found that the inverse scripts should be modified. >> > If you can give me some suggestions for the lammps interface, I would be >> > very appreciated. >> > >> > Thank you very much! >> > >> > Sincerely, >> > >> > Feng >> > >> > -- >> > Dr. Feng Huo >> > Group of Ionic Liquids Clean Process and Energy-saving >> > Institute of Process Engineering >> > Chinese Academy of Sciences >> > Beijing 100190 >> > China >> > >> > >> >> >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de > > -- > 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. -- 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.
