-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
Hello Andrea-- > 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? That should be the noe cost. > If so, what kind of unit is it? kcal/mol or kj/mol? > kcal/mol. Note, that the graphical interface should be more intuitive. best regards-- -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.9 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFJciWBPK2zrJwS/lYRAsnBAJ4vD4c7ppwVjX4uPhIoyUgsrt3fiwCfY0qu Y0qayMpOfcmnQ14g2Sxl/1s= =gOTz -----END PGP SIGNATURE-----
