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Hello Eugene-- > When I generate the structure file using the old generatedna.inp script in = > the tutorial directory, the energies are much better and the structure is n= > ot distorted, i.e., How does that psf compare with eginput/dna_refi/dna_new.psf? thanks-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkt1xPkACgkQPK2zrJwS/larCgCZAYAA0tQZAA6sXI7yayuZS2pt xhEAn08J5OYa3k3Ss7DbBfa7vqrj40SI =8d4C -----END PGP SIGNATURE-----
