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twinning problem

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  • oldclifford
    Hi, everyone: I am trying to refine my data set which is p3121 with partial twinning. In CNS 1.2 I can not find some inp files (composite_map) which is in twin
    Message 1 of 1 , Jun 13, 2007
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      Hi, everyone:
      I am trying to refine my data set which is p3121 with partial
      twinning. In CNS 1.2 I can not find some inp files (composite_map)
      which is in twin version. Can I just copy my twinning parameters into
      its inp file and run it?
      Also when I try to run density-modify, an error message was:

      Minimum brick that covers asymmetric unit:
      A= 0,..., 360 B= 0,..., 360 C= 0,..., 30
      Sum of 80113 elements = 80113.0000
      SHOW: average of 3888360 elements= 0.0000
      ANOMalous=FALSe {OFF}
      XMPST: average = 0.0000 minimum = 0.0000 maximum = 0.0000
      XMPST: r.m.s. = 0.0000 norm = 0.0000
      XMHISTO: (default from map) RHOMIN and RHOMAX = 0.0000 0.0000
      %XMHISTO-ERR: a complete flat map.
      XMHISTO: (default from map) SLOT width = 0.000000
      %XMHISTO-ERR: the SLOT width is too small 0.00000
      XMHISTO: the number of slots MBINS=10000 and width SLOT= 0.0000
      %XDOTYPE-ERR: Variable/type mismatch:
      do (masksol=1) (real(automap) <= $cutoff)
      ^
      %DO-ERR: Data type mismatch. Selection must be a logical
      expression.:
      do (masksol=1) (real(automap) <= $cutoff)
      ^
      %SHOW error encountered: There were errors in DO expression.
      (CNS is in mode: SET ABORT=NORMal END)
      *****************************************************
      ABORT mode will terminate program execution.
      *****************************************************
      Program will stop immediately.

      Anybody may have some suggestions?
      I really appreciate all your inputs.

      Ren
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