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Hello Misbah-- > > I was wondering whether anyone has had the problem of generating > structures using an annealed script which give LOWER RMSD values than > the structures generated using a refinement script? > > For my large molecules I have always obtained lower RMSDs in the > refined structures. HOwever I am not sure why this isnt the case for > my smaller molecule? Any ideas would be very helpful. > which annealing and refinement protocols are you using? This sort of behavior depends very much on the details of the scripts. Are your annealed structures acceptable? best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkrx6DEACgkQPK2zrJwS/lYkAQCffzmzxS8V/mbgaVZKB9NY3gag BSsAnRbaNK4b2ewORE1aFhbY3GdeJDyd =AGry -----END PGP SIGNATURE-----
