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Hello Jie-rong-- > > I am interested to see how the "raw" DELPHIC potentials effect on > restraint-free calculations.? Thus, I put the following lines in a standard > annealing python script: > > ??? @~/xplor-nih-2.20_src/databases/torsions_raw/setup_new_shortrange.tbl It turns out that this file references the newer RAMA command instead of XRAMA, as it should. A fixed version of this file is included in the just-released Xplor-NIH version. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iEYEARECAAYFAkrFGK4ACgkQPK2zrJwS/lajLQCdFOHHFHiJhyiAKj6WDWw+wFiN IAIAn11Iu3FrJguWLYU5jL/fK5Dw8PJs =VL4n -----END PGP SIGNATURE-----
