Thanks Christoph You are right! There was an issue with writing out updated parameters for b-spline potentials. I have corrected it. Soon, before the workshop, I will merge the changes with default.
Cheers Sikandar On Mon, Sep 30, 2013 at 3:21 PM, Christoph Junghans <[email protected]>wrote: > Hi Sikandar, > > I found it, there was a typo in awk script, so the error message got > lost, but the error was valid. > The x values of the two param files mismatch and hence > table_average.sh, gives an error. > > Cheers, > > Christoph > > 2013/9/30 Sikandar Mashayak <[email protected]>: > > Hi Christoph > > > > Please find attached the step_001/CG-CG.param.cur and > > step_002/CG-CG.param.cur. > > > > Thanks > > Sikandar > > > > > > On Mon, Sep 30, 2013 at 10:42 AM, Sikandar Mashayak < > [email protected]> > > wrote: > >> > >> Hi > >> > >> I am trying to make sure SPC/E water relative entropy tutorial works > well > >> after I made few modifications to csg code. > >> > >> However, I am getting the table averaging error: > >> > >> table_average.sh: averaging with awk failed > >> > >> The log file is attached. > >> > >> Not sure why this error occurring in step_002 while averaging seems to > >> have worked well for step_001. > >> > >> I guess, once this is issue is resolved, it should be ok to merge > >> 'sikandar' branch to 'default'. > >> > >> Thanks > >> Sikandar > > > > > > -- > > 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/groups/opt_out. > > > > -- > 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/groups/opt_out. > -- 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/groups/opt_out.
