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Hello Hélène-- > I am trying to do minimization and simulating annealing with rigi bodies, > but I am at a loss concerning the functions to use. > What are the difference between > > dyn.fix (absolute referential?) > dyn.group (relative referential?) > fix prevents atoms from moving during dynamics or minimization (they may later be moved during a fitting stage). group identifies a set of atoms which move as a rigid body. I hope this helps-- 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 v1.4.11 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.9 <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAk4cK/wACgkQPK2zrJwS/lZwswCbBMbhyWN+FmzZRlwjYGLBBHy+ 3v4An1Y6C8/SmRmyGw82+885j6wtAYzi =Sy90 -----END PGP SIGNATURE----- _______________________________________________ Xplor-nih mailing list [email protected] http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
