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Hi-- > I wondered if there is a documentation about the dynamics internal > commands. > For instance the definition and meaning of the hinge bendtorsions in > sugar > rings is rather hard to understand for me. > Here is the meaning: one hinge bendtorsion statement is required for each bendtorsion node. The statement takes three selections consisting of a single atom each: first the center atom defining a bond-angle, and then the two atoms on either side of it. The resulting hinge will rotate both about the bond to the previous hinge (torsion motion), and about the bend angle (bend motion). Bend motion requires the insertion of an additional hinge, but understanding of this detail should be requried. An example of its use can be found in eginputs/dna/set_int_dynamics.inp in the xplor-nih distribution. regards-- Charles - -- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQE+QCGnPK2zrJwS/lYRArPEAJsE4iYspKBJ4oRe+YDi3RnVa273zQCdGSOk Zud5TakYaAh1h4jTS0lJ1jo= =Zyo8 -----END PGP SIGNATURE-----
