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Vitaly Botsan

Builder error

Hi,

When I try to construct a single polymer chain either with the available monomers or with my own z-matrix, i get the following output in the log:

ERROR: builder failed: expected file atoms.dat missing

Is there any way to get around this problem? Thanks in advance. Best regards, Vitaly

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4 Responses

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    Benjamin P Haley

    Looks like I forgot to post the promised update. The fixed builder was deployed in May 2013.

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    Benjamin P Haley

    This indicates that the builder failed. Can you give me more details about your simulation? Which monomer, how many monomers in a chain, torsion energetics, etc. Thanks.

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      Vitaly Botsan

      I’ve just tried with the PMMA isotactic, default options except the rod-like chain construction with 180 dihedral angle between backbone monomers. The same result as above.

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        Benjamin P Haley

        Thank you for bringing this to my attention! That is a bug that I missed in my testing of the new version of the code. I have fixed it and started the process of deploying the fix the nanoHUB. It should be deployed within the next 24 hours. Thanks for your patient help. I will reply again to this question when the fixed version is live on nanoHUB.

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