Slow_torsion

Djamel Medjahed medjahed at MALIK.NCIFCRF.GOV
Thu Mar 26 10:53:23 EST 1998


Greetings,

I am running the (minimally) edited example script provided with the Xplor 3.84
on a cray J91 platform.
I get the following error message ( or part thereof):
-------------------------- Torsion Topology ----------------------------------
   WARNING: There are too many trees.
            Please increase MAXTREE and re-run.

 %TORSION:TOPOLOGY-ERR: Fatal Topology Error
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I can't find any enty for MAXTREE in the input script. Also, there does not
seem to be any place where I can "plug" the topology file that I have used in
addition to toppar/tophcsdx.pro to describe a ligand I have in the structure.

Any suggestions would be greatly appreciated.


-- 
Djamel Medjahed                  (301) 846-1775 (Ph)
Structural Biochemistry Program  (301) 846-6066 (Fax)
National Cancer Institute        medjahed at ncifcrf.gov



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