[gmx-developers] New Energy Entry
Mehmet Suezen
suzen at theochem.tu-muenchen.de
Mon Mar 11 12:56:16 CET 2002
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.
Thanks
cheerz,
mehmet
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