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Hello Jakob-- > I am using the HBDB term in the free search mode. I am trying to scale > the HBDB energy term using the generic Xplor interface. I was able to > scale it using the python interface - i.e. I get final HBDB energies > proportional to the scale I use. Now I want to scale this HBDB term > using the generic xplor interface. I dont want to use the "constraint > interactions hbdb 10.0 end" syntax. Can I scale the HBDB term from a > another specialized interface?, like the noe can be scaled from the > noe interface. > I tried changing kdir, klin, kmfd, kmfl and kenf but it had no effect > on the final HBDB energies. Looking at the source code it appears that these ``force constants'' don't scale energy. > What is the right way to do this? Either use the Python interface or ask Alex Grishaev to fix this term. Sorry I can't offer a more acceptable solution at the moment. Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHa9zsPK2zrJwS/lYRApekAJwLqRIYSqKOXbLidoEpGkqJpTdAxgCgh+pz c34P2Zsc7KT8JT+gu5Zj1KQ= =kPof -----END PGP SIGNATURE-----
