[gmx-developers] User Defined Input Values

Hank deHaan hdh at orb.physics.uoguelph.ca
Fri Sep 13 04:56:16 CEST 2002

I'm trying to modify the code slightly and am a little bit lost...

I would like access to the user defined inputs (userreal1 etc.) within the
posres() function inside of bondfree.c

I think that posres() is of type ifunc (from bondf.h), and i don't think
that the
structure t_inputrec (which contains userreal1 etc.) gets passed to
ifunc; but I don't want to just add it
and mess up all the other calls to this function type.  On the other hand,
I don't want to just clone the definition of ifunc for posre() because I
don't really know what I'm doing and would miss alot of inclusions and

what is the cleanest solution for gaining access to the user inputs inside
the posres function?  Or are they already there and I haven't recognized

Thanks for any help and sorry if my message isn't clear, programming isn't
my specialty :P

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