ADL: too many torsions

Paul Elsinghorst paul at uni-bonn.de
Thu Jan 29 09:15:39 PST 2009


Simple question I don't really dare to ask: did you 
recompile?

On Thu, 29 Jan 2009 16:32:26 +0000
  Gav <home at unixdaemonuk.com> wrote:
> Hi,
> I get
> 
>  Too many torsions have been found (i.e. 34); maximum 
>allowed is 32.
>  Either: change the "#define MAX_TORS" line in 
>constants.h
>  Or:     edit "ind.pdbqt" to reduce the number of 
>torsions defined.
> This was changed to
> 
> **code**
> #endif
> 
> #define MAX_TREES    8        /* Maximum number of 
>torsion trees */
> #define MAX_TORS     35      /* Maximum number of 
>torsions in Small Molecule. */#define MAX_TORS_IN_ROTAMER 
>8 /* Maximum number of torsions in rotamer. */
> #define MAX_TOR_CON  8        /* Maximum number of 
>constraints per torsion. */
> 
> with no effect.
> 
> I have also found altering mximum atoms makes no 
>difference either for protein-protein docking.  Is there 
>something additionl required?
> Thanks
> 
> -- 
> email:  home at unixdaemonuk.com
> url:    http://www.unixdaemonuk.com
> 
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