[gmx-developers] New Energy Entry

Mehmet Suezen suzen at theochem.tu-muenchen.de
Mon Mar 11 14:12:35 CET 2002

Thanks, I've already add concerning entries in src/mdlib/mdebin.c
also an other modification is needed in src/mdlib/runner.c. 


David van der Spoel wrote:
> On Mon, 11 Mar 2002, Mehmet Suezen wrote:
> >Dear Gromac Developers,
> >In first tests, it appears to be I've added new non-bonded potential
> >type into code.
> >I could see my parameters and new selection in .tpr file with gmxdump.
> >After mdrun, I couldn't see new potential energy. And new loops
> >compiled without problems. What may went wrong?
> >
> >In src/gmxlib/enxio.c I've seen do_enxnms funtion and in
> >src/kernel/gmxdump.c
> >function list_ene calls do_enxnms from src/gmxlib/enxio.c, enm[].
> >
> >Any idea would be precious.\
> checkout mdlib/mdebin.c
> --
> Groeten, David.

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