hi, 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? Or should I specify this as 2.8, 2.3, 3.3 ?
Another question is what is the "cutoff" button that is in the NOE window of VMD-XPLOR? Thanks so much, Marcela _______________________________________________ Xplor-nih mailing list [email protected] http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
