[Xplor-nih] defining my own energy functions?

[John Kuszewski]

Note that new xplor-NIH energy terms can also be written in TCL.  But  
the speed of TCL code is
no better than Python, so, like Python, it should only be used to try  
things out quickly, or
to implement very quick to compute energy terms.

--JK

On Aug 14, 2006, at 11:15 AM, Charles at schwieters.org wrote:
>
> This can be done by writing a new potential energy function. This  
> can be
> written in Fortran, C++, or Python. For the Fortran or C++ interfaces
> you will need access to the full source code. Potential terms  
> written in
> Python should either be for development purposes, or computationally
> quite inexpensive, as it's much slower than a compiled language.  
> Please
> contact me for further details.
>
> best regards--
> Charles
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