[gmx-developers] interaction calculation: Potential Energy

Mehmet Suezen suzen at theochem.tu-muenchen.de
Mon Mar 11 16:05:08 CET 2002

Dear Gromacs Developers,

As far as I understand, potentials calculated in functions like  in case
of VDW 
do_bham in  src/gmxlib/mkinl_interactions.c, is that correct? 
I have seen that new potential energy printed as zero.  On the other
hand, how could I relate
this function with the loops that I generated.

Thanks for comments indeed.


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