[Xplor-nih] Scaling of the HBDB term
Jakob Toudahl Nielsen
jtn at chem.au.dk
Thu Dec 20 10:03:33 EST 2007
Dear all,
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.
What is the right way to do this?
Sorry if this is an obvious question, I find it hard to find lots of
detailed information on the HBDB term.
Hope anyone can point me to the answer...
Best regards,
Jakob
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