Re:g98 Symmetry



Dear All
 thanks to all who responded to my question about symmetry in G98. I have
 been sent a few files, some with C2 symmetry and one with D2, I'll be trying
 them all, but they have certainly helped a lot. Mind you, one of the jobs
 (that had started with C2 symmetry) had been going along very well when it
 crashed with; (I had used iop(2/17=1, 2/16=3)
 Leave Link  103 at Sun May 19 17:48:29 2002, MaxMem=   73400320 cpu:
 51.0
  (Enter C:\G98W\l202.exe)
  Stoichiometry    C36H46N4
  Framework group  D2[C2'(N.N),C2"(NH.HN),X(C36H44)]
  Deg. of freedom   63
  Full point group                 D2      NOp   4
  Omega: Change in point group or standard orientation.
  Largest Abelian subgroup         D2      NOp   4
  Largest concise Abelian subgroup D2      NOp   4
  Operation on file out of range.
 FileIO: IOper= 1 IFilNo(1)=  -579 Len=         172 IPos=           0 Q=
 56304400
  (a lot of stuff about dumping files)
  Number           0
  Base         20480
  End          66048
  End1         66048
  Wr Pntr      20480
  Rd Pntr      20480
  Error termination in NtrErr:
  NtrErr Called from FileIO.
 I've restarted it but don't really know what the error means
 Regards   Roma