[Xplor-nih] Scaling of the HBDB term

[Charles at Schwieters.org]

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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
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