[ccp4bb]: Re: Maximun number of Atoms in AMORE

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

> Adam Ben-Shem wrote:
> 
> Dear Sir,
> 
> My model is a very large complex (400kDa). AMORE can not pass the
> TABLING stage and terminates with the message :
>  "max nb. of atoms exceeded".
>  This occurs even if I allocate the maximux available memory to
> (TABLING_MI,TABLING_MR,TABLING_MC).
> 
> Is there a way to solve this ?
> 
> Jorge Navaza says that in his original version he used a variable MA
> which stands for MaximumAtoms, Is there something equivalent in the
> CCP4 version ?
> 
> Thank you,
> 
> Adam Ben-Shem,
> Dpt. Of Biochemistry,
> Tel-Aviv Uni,
> Israel.
> adam@post.tau.ac.il
> 
> 
> 


 You dont say in which subroutine this occurs?
The possible messages are: 
  330 CALL CCPERR(1, '> s/r cartax < max. nb. of atoms per section'//
or
  220 CALL CCPERR(1,' > s/r corin < max. nb. of atoms exceeded')

If it is in SR corin, you can reset this parameter MA and recompile.
C     =============================
      SUBROUTINE TABLNDO(MI,II,MR,RR,MC,CC)
C     ===========================================
C
      INTEGER MA
C     MA is number of atoms in PDB file
      PARAMETER (MA=20000)

 

 Good luck
Eleanor