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Hello Ramon-- > > I've written a new parameter file for nucleic acid structure > calculation, with a focus on RNA. > > I have problems with the angles around the phosphate atom (in the > backbone of course). My question is: would it be possible to formulate > angles as restraints instead of parameters, so it would be very similar > to the dihedral angle restraints. > To my knowledge, there is no such facility currently in Xplor-NIH. You are free to add one, of course. However, you might first re-examine your parameters. Do they differ greatly from toppar/nucleic.par? best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFGoRPQPK2zrJwS/lYRAoSKAKCJpY7G9kgVYnNaLEaMX9OZfbfYKACdGH/y zridwivzSMyGN6zzuDSmfEQ= =YTFg -----END PGP SIGNATURE-----
