On Thu, Jul 19, 2018 at 10:44 AM, 'Andrey Brukhno' via votca <[email protected]> wrote: > Hello again, > > By now, that the simulation for one iteration has finished (successfully), I > got a similar error during the analysis: > > # ERROR: > # > # critical: 'csg_reupdate --nt 8 --top topol.tpr --trj traj.xtc --options > settings.xml --begin 0 --first-frame 0' failed > # > # For details see the logfile > /home/andrey/Work/Models/DOPC-long-wtip4p-new/ire-Rc1.65nm-freeN-dihs_CG-fits1-151c/inverse.log > > Interestingly the error is not mirrored in inverse.log (which reports no > error at all), but when I try to run: > > $ csg_reupdate --nt 8 --top topol.tpr --trj traj.xtc --options settings.xml > --begin 0 --first-frame 0 > > I get: > > ... <normal output> ... > Total number of parameters to optimize: 333 > an error occurred: > property not found: scale See here: https://github.com/votca/csg-tutorials/blob/master/spce/re/settings.xml#L69
Christoph > > I am lost here, because my settings.xml file works with ibi and imc and here > is the output of `grep scale` for it: > > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > <post_update>scale smooth</post_update> > <scale>0.10</scale> > > Did the location of scale tag change? Or is it some other scale tag that is > missing? > > Andrey > > -- > 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 https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- 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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
