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.
inverse.log
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