[gmx-developers] modifing nonbonded interactions

Nazish Hoda nazish at umich.edu
Sat Oct 18 16:24:05 CEST 2008

Hi all,

I am trying to modify the source code for nonbonded interactions.
I have made changes to the nb_kernelxxx_c.c subroutines. Everything  
works fine when I call these subroutines explicitly from the  
subroutine nonbonded.c.

In the actual code these subroutines are called using a function  
pointer kernelptr, which I am sure refer to the subroutines  
But when I use this kernelptr, it somehow refers to the earlier  
subroutines (not to the one I have modified.).

I think I need to put one of the object file in some different directory.
I have not been able to figure this out and am struggling on this for  
few weeks. If any of the developer can let me know it will save lots  
of my time.

I think the code was written by David, Erik, and Berk. I would really  
appreciate if any one of you can help me with this.

Thanks, Nazish.

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