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Vasilisa Chupina

I can’t get LAMMPS output files

I’m trying to run a simulation of Nylon (PA6) using z-matrix. So it works when I try to get structure output only, but in case of LAMMPS output files it makes an error like that: problem launching job: program finished: exit code is 1
/apps/polymod/r356/rappture/../bin/polymod.rb:57:in ‘run_cmd’ : Traceback (most recent call last: (RuntimeE) File “/apps/polymod/r356/rappture/../bin/main.py”, line 1, in

import data4Lammps

File “/apps/polymod/r356/bin/data4Lammps.py”, line 5, in ..blahblahblah..

ZeroDivisionError: integer division or modulo by zero from user/lib/ruby/1.8/open3.rb:86:in ‘popen3’ from /apps/polymod/r356/rappture/../bin/polymod.rb:45:in ‘run_cmd’ from /apps/polymod/r356/rappture/../bin/polymod.rb:681

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    Benjamin P Haley

    Hi, sorry for the long delay in responding. You can also click the “Need Help?” button at the top right of each page to submit a support ticket, which are more visible than questions. Do you still have this problem? We have released a couple new versions since July.

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