Dear all, I am using vmd-xplor to calculate the E[NOE] as reported in http://www.cell.com/biophysj/abstract/S0006-3495(06)71992-0 paper. the file.tbl is read properly and everything goes fine. I do: noe load 0 0 file.tbl noe calc and a series of violations are reported. Then, in the tcl console I get a number (i.e. 6.23) and I think that this is the E[NOE]. Is it right? If so, what kind of unit is it? kcal/mol or kj/mol?
thanks in advance Regards andrea ------------------------------- Andrea Spitaleri PhD Dulbecco Telethon Institute c/o DIBIT Scientific Institute Biomolecular NMR, 1B4 Via Olgettina 58 20132 Milano (Italy) http://biomolecularnmr.ihsr.dom/ Tel: 0039-0226434348/5622/3497/4922 Fax: 0039-0226434153 -------------------------------
