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
