When I run the script, nmr_torsion.inp, i get this error in the .out
file:
-------------------------- Torsion Topology
----------------------------------
WARNING: A single-group tree does not have an
acceptable base.
Please alter topology and re-run.
This is usually due to isolated atoms.
Delete them or fix them to proceed.
%TORSION:TOPOLOGY-ERR: Fatal Topology Error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
BOMLEV= 0 reached. Program execution will be terminated.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Subroutine DIE called . Terminating
Whether I use the topology file protein.par or parallhdg.pro, I get
the same error. Do you know what it means and how I can fix it?
Thanks
