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Hello kalyan-- > I am trying to do a structure calculation of a dimeric protein along with > ligands. > I have got the ligand .pdb and .psf files from the hicup database. When I run > the program > I get back an error which is as follows > > -------------------------- Torsion Topology > ---------------------------------- > WARNING: There are too many trees. > Please increase MAXTREE and re-run. > > %TORSION:TOPOLOGY-ERR: Fatal Topology Error this script uses the old torsion angle dynamics engine, which is deprecated. Please update your script to use the IVM (DYNAmics INTErnal in the XPLOR interface). Examples of its use can be found in e.g. eginput/protG/anneal.inp in the Xplor-NIH distribution. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHliDpPK2zrJwS/lYRAgReAJ9TRs+On+6jk6qEVzhyYTfKDuh/BQCdGEDk Tn1LKb5KWKHPBHoGq+bXQ0Y= =QWuK -----END PGP SIGNATURE-----
