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GROMACS Wizard issue

Scheduled Pinned Locked Moved SAMSON Extensions
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  • A
    A
    Admin
    wrote on last edited by
    #1

    This new topic is used to move a post from another topic.

    1 Reply Last reply
    0
    • S
      S
      sudhir
      wrote on last edited by
      #2

      My Gromacs session is not working properly. It is always giving the same error.
      Sorry couldn't backup C:/Users/Structure/AppData/Local/OneAngstrom/SAMSON-Data/0.8.5/Scratch/GROMACS/GeneratedFiles/MODEL_prepared_model_Ion_chain_C_pr.itp to ./#C:/Users/Structure/AppData/Local/OneAngstrom/SAMSON-Data/0.8.5/Scratch/GROMACS/GeneratedFiles/MODEL_prepared_model_Ion_chain_C_pr.itp.1#
      8 out of 8 lines of specbond.dat converted successfully
      Opening force field file ./amber99sb-ildn.ff/aminoacids.arn
      Opening force field file ./amber99sb-ildn.ff/dna.arn
      Opening force field file ./amber99sb-ildn.ff/rna.arn

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      • YassineY
        YassineY
        Yassine
        wrote on last edited by
        #3

        Hi Sudhir,

        "Sorry couldn't backup C:/Users/Structure/AppData/Local/OneAngstrom/SAMSON-Data/0.8.5/Scratch/GROMACS/GeneratedFiles/MODEL_prepared_model_Ion_chain_C_pr.itp to ./#C:/Users/Structure/AppData/Local/OneAngstrom/SAMSON-Data/0.8.5/Scratch/GROMACS/GeneratedFiles/MODEL_prepared_model_Ion_chain_C_pr.itp.1# "

        This should be a warning, or it says you it is an error ?

        For:
        "8 out of 8 lines of specbond.dat converted successfully
        Opening force field file ./amber99sb-ildn.ff/aminoacids.arn
        Opening force field file ./amber99sb-ildn.ff/dna.arn
        Opening force field file ./amber99sb-ildn.ff/rna.arn"

        It seems this is normal. Could you send us the whole log please ?

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        • S
          S
          sudhir
          wrote on last edited by
          #4

          It is saying it as a problem. Backing up of file is working anymore. Rest of the log is normal but it got stuck at this point and then nothing works.

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