[Xplor-nih] defining my own energy functions?

[Rob Brasier]

Hello all,

This question may have been answered before, but I can't figure out how to
search through the archives, so I apologize in advance.

I'm trying to do Cartesian space minimization and molecular dynamics on a
pre-existing structure. However, my group wants to use 2 of our own energy
functions: a distance constraint based energy function and another
continuous function. Is there a way to write a 'module' or something that
will interface with the dynamics verlet, or is included with the flags
include <etc> statement? Is there some other way to do this?

If I have to write my own, does anyone have any experience with adding
functionality to this package they could pass on to me?

Thank you very much,
Rob B.
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