X-Plor 3.851 error: DIM exceeded

[Omar G. Stradella]

Chris Sheldahl wrote:
> 
> Hello folks.
> 
> We have had an X-Plor 3.851 error during generation of a structure file
> with ~13,000 atoms. Machines used: SGI Origin 200 and SGI Octane,
> running IRIX 6.4
> 
> > COOR>ATOM      1  N   GLU A   1     -16.902  13.583 -57.312  1.00  0.00
> >  MAPIC: Atom numbers being modified
> >  %SEGMNT-ERR: DIM exceeded
> 
> and so on. A copy of the PREXPLOR.DIM file is below (though a little
> long, I hope that this is better than attching a binary.)
> 

Chris,

You will have to manually increase the value of SEGDIM in SUBROUTINE
SEGMNT, the file is segmnt.s. And recompile.

      INTEGER SEGDIM, SET, ISET, NADD
      PARAMETER (SEGDIM=100, NADD=50)
C SEGDIM is the maximum number of atoms involved during a
C single patching process, NADD is the maximum number
C of added atoms during a single patching process.


Omar
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Omar G. Stradella, Ph.D.                    
SGI / Chemistry and Biology Applications Group
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