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Anonymous

limited number of polymer chains

Currently, I tried to build 100 PE chains with 10 monomers each. However, the PolymerModeler keeps showing “ERROR” when it is runnung LAMMPS. It only works the number of chain is small such as less than 1 or 2. Is there any limited number of chains to work properly?

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    Benjamin P Haley

    I believe that these issues are addressed with the newly released 2.0 version of PolymerModeler.

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    Anonymous

    I am having the same proble with polymer builder have you figure out how to generate relatively large polymer system lets say 100 chains each has 40 monomer. Thanks

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    Benjamin P Haley

    Just to follow up on my other answer: there is no limit to the number or length of chains.

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    Benjamin P Haley

    Hi, thanks for using the PolymerModeler tool. If you see LAMMPS running, then the chains were built successfully. The LAMMPS error is most likely due to something else — can you reproduce the error message?

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      Anonymous

      Thanks for your response. The error message is, “Error on proc 0: Bond atoms xxx and yyy missing on proc 0 at step 5. p0_zzz: p4_error: :1 Exception: 0 MPI Abort by user aborting program ! 0 Aborting program!” xxx,yyy, and zzz change everytime whenever I run PolymerModeler even though the input parameters are same. This same error sometimes happenes when the number of chains is just 2. However, the errors does not occur when the number of chain is just 1. Can yo figure out what happens?…

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