Torsion dynamics

Ajay Kumar Royyuru akr at
Mon Nov 10 12:58:57 EST 1997

Lutz Ehrlich wrote:
> read in (segid  's042') and I want keep only the Phi/Psi for the
> dynamics. My idea is to fix all torsions first, then free Phi/Psi
> explicitly.
> ============================== tors.xplor
> ! read in two segments (segid 'a000','s042') before
> ! fix all torsions first, then iterate over all Psi angles and free them explicitly
> dynamics torsion
>         maxlen = 5000
>         topology
> XPLOR terminates with the following:
> ============================== XPLOR's last words
>  -------------------------- Torsion Topology ----------------------------------
>    WARNING: A chain is too long. 
>             Please increase MAXLEN and re-run.

MAXLEN is specified in the torsion-topology-statement. In fact, your
should be reporting an error since MAXLEN is not a recognized word in
The following works fine for me with a 206 residue protein. 

 dynamics torsion
         maxlen = 5000


 Ajay Kumar Royyuru, PhD       Tel +1 (619) 546 5566  
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