On Tue, 10 Jan 2012, Sebastian Eckert wrote:
> When looking into one of the generated refine.out files from CNS, I find the following errors:
> " -------------------------- Torsion Topology -----------------------------------
> Please send a bug report to [log in to unmask]
> Please increase the "maximum number of distinct bodies" (torsion_maxtree) and re-run.
> %TORSION:TOPOLOGY error encountered: Fatal Topology Error
> (CNS is in mode: SET ABORT=NORMal END)
> *****************************************************
> ABORT mode will terminate program execution.
> *****************************************************
> Program will stop immediately."
>
> However, I can not find the parameter "torsion_maxtree" in the config file and don't know where I could add it.
I think this is in aria2.3/cns/protocols/torsiontop.cns and the parameter
is the maxt one:
dyna tors
topology
maxj 50
kdihmax = 23.
maxt 6
try increasing maxt
Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
College of Medical, Veterinary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600
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