Djamel Medjahed wrote:
> 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.
>