[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
function list_ene calls do_enxnms from src/gmxlib/enxio.c, enm[]. 

Any idea would be precious.


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