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Hello Marcela-- In the future, VMD-XPLOR questions should be directed to vmd-xplor at nmr.cit.nih.gov > I started using VMD-XPLOR to visualize a molecule and its NMR > constrains. I would like to understand better what I am getting. I have > converted the AMBER restrain file to XPLOR format, and now I have a set > of three distances: d dlow dhigh. I understand the exact meaning of > these numbers depends on the restraining function used. So my question > is, what is the default for VMD-XPLOR? For example if I set > 2.8, 0.5, 0.5 > does that mean the NOE distance is 2.8+-0.5 A? correct. > > Another question is what is the "cutoff" button that is in the NOE > window of VMD-XPLOR? that is the threshold margin used to decide whether or not to count the restraint as violated. This information is available by clicking on the ``?'' button in the NOE window. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFGlR/nPK2zrJwS/lYRAmavAJ9bAbiPdvQizUau7NMoYshCKiQldACcDZIr oEBkW7o39MbalqrGBIkBg1E= =8Dl6 -----END PGP SIGNATURE-----
