[AMBER] Error MCPB when send the input

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From: Tiffani Rovira <tiffanirovira.gmail.com>
Date: Mon, 25 Jul 2016 19:05:23 +0200

Hi,

When we created the input file and send it, we received an error:

  File "/opt/amber16/bin/MCPB.py", line 562, in <module>
    premol2fs, cutoff, watermodel, 2, largeopt, sqmopt, smchg, lgchg)
  File "/opt/amber16/lib/python2.7/site-packages/mcpb/gene_model_files.py",
line 1742, in gene_model_files
    bdedatms, libdict, autoattyp)
  File "/opt/amber16/lib/python2.7/site-packages/mcpb/gene_model_files.py",
line 1319, in build_standard_model
    attype = libdict[resname + '-' + atname][0]

Someone knows what that it mean?

Thanks,

Perfil público*https://es.linkedin.com/in/tiffanirovira
<https://es.linkedin.com/in/tiffanirovira>*
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Received on Mon Jul 25 2016 - 10:30:02 PDT