[gmx-developers] short range energies

Mehmet Suezen suzen at theochem.tu-muenchen.de
Wed Mar 20 21:21:43 CET 2002

David van der Spoel wrote:
> >frbBHAM at force.c 0
> >frbNEW at force.c 0
> SHouldn't this be 1 ? In order to use your new potential?
> Maybe your parameters aren't set? They are copied to a matrix somewhere in
> force.c

Problem occured here is even if I use any of the potential (LJ or BHAM),
energy is zero.
What I know is boolean for my potential is zero (a bug) but parameters
are there as I print
idef->iparams[k].bham.a in force.c. I suspect that I might assign
incorrect nbf_indexsrc/mdlib/ns.c,
Is it possible? 
Thanks a lot

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