Reply To: some application troubles when using resfile flag

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April 15, 2011 at 1:01 pm #5417
Anonymous

    Thanks smlewis for your advice, but it looked like that could not solve my problem.

    I have confirmed and found my new one in the list, but because it went so fast, I could not copy the line. I saw it showed like ….sucessfully patched cysmtsl.param and like adding mtsl and amino-ethyl to cys…, so the params file I think is OK and feeded.

    And the error was still

    apps.backrub: Processing xxx.pdb…
    core.io.pdb.file_data: [ WARNING ] discarding 5 atoms at position xxx in file xxx.pdb. Best match rsd_type: CYS
    …….
    core.pack.task.ResfileReader: Unable to add non-canonical amino acid CYSMTSL because it is not in the ResidueTypeSet for residue xx.
    ERROR:: Exit from: src/core/pack/task/ResfileReader.cc line: 1195