MAXPAD error

Axel T. Brunger brunger at LAPLACE.CSB.YALE.EDU
Wed Aug 28 13:21:29 EST 1996


There are two choices:

1. Recompile X-PLOR with a larger MAXPAD paramter

2. remove the DONOR and ACCEPTOR keywords from your topology file.
The hydrogen bonding term is normally not used for protein refinement,
thus it's OK to remove it.  

Axel Brunger



Paul Ramsland wrote:
> 
> I have been trying to set up a structure of a large protein model in a water
> system.  However, during the placement of water's around the protein X-plor
> crashes with the following message;
> 
> %GENRES-ERR: exceeded MAXPAD (PSF) parameter --> recompile program
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>  BOMLEV=    0 reached.  Program execution will be terminated.
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>  Subroutine DIE called . Terminating
> 
> Could someone help me with overcoming this.  I would prefer if I did not have
> to recompile everything as I am lacking a fortran compiler.  Failing everything
> I will just have to find the funds for the compiler.
> 
> Regards, Paul
> 
> --
> Paul Ramsland BSc (Hon)
> 
> Immunobiology Unit
> Dept of Cell and Molecular Biology
> University of Technology, Sydney
> Westbourne St
> Gore Hill, NSW  2065
> Australia
> 
> Telephone: 61 2 9514 4045
> Facsimile: 61 2 9514 4095
> Email: paul at indy.bio.uts.edu.au
> Web Page: http://indy.bio.uts.edu.au/~paul/

-- 
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| Axel T. Brunger          Dept. Molecular Biophysics and Biochemistry|
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