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Hi-- > > the problem is that whenever i change > > noe > ... > averaging * cent > .. > end > > to > ... > > averaging * SUM > > in the original sa.inp file > > calculation breaks and program complains that it > does not know coordinates of atoms that happen to participate in > ambigous noe contacts > > R-6 option also failed > > I wonder if anybody knows how to get around this? > If you could send a bit of output with any error messages, it would be helpful. sum averaging is the most commonly used, so it should work just fine. regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8 <http://mailcrypt.sourceforge.net/> iD8DBQE/u9rSPK2zrJwS/lYRAmSUAJ9PnTpSvQZpoRds7lXvNQdGZ9f8awCePFeU B+4ipYLwdQAAl/YZy+uE8rQ= =ImhS -----END PGP SIGNATURE-----
