Hello Marie-Laurence-- > I get this message at the start of my structure calculations: > > round10_new.py(278): randomizeTorsions(dyn) > AT_Build::buildNode: cycle link found between atoms 28 PRO 3 CD and 19 PRO 3 > N > removing bond.
This is symptomatic of not calling protocol.torsionTopology(dyn) earlier in your script. If you posted your script I coudl tell for certain. best regards-- Charles
-- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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