[gmx-developers] LJ interaction

Chenyue Xing cxing at ucdavis.edu
Sun Aug 13 04:53:36 CEST 2006


I'm trying to read and study the part of code that computes the LJ
interaction between particles but all I found are 'case eNR_INLxxxx' stuff
in fnbf.c. I thought when computing the distance between 2 atoms, usually
the function distance2( ) in vec.h is called, so that I was trying to locate
the LJ code by looking for the places where distance2( ) is called. I found
few results.

I really appreciate if anyone can point me to the LJ interaction code part.

Thanks a lot!
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