[gmx-developers] energy calculation (v 3.0.5)

[David van der Spoel]

On Tue, 12 Mar 2002, Mehmet Suezen wrote:

>I've define my new loops in src/gmxlib/inner.h as used in
>src/gmxlib/fnbf.c
>and make a new interaction loop src/gmxlib/mkinl_interaction.c. And
>parameter passing
>from src/mdlib/force.c appears to be okay.
Time for low level debugging. Check that your routine is called by 
printing from it, e.g. the energies.

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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