[gmx-developers] Non bonded energy terms

Vibin R vinu at btc.iitb.ac.in
Tue Apr 16 11:37:58 CEST 2002

	While calculating energy terms with g_energy,there are two terms
each for nonbonded interaction energies. For LJ, there is LJ-14, and LJSR,
and similarly for coulombic, coulomb1-4, and coulombSR. Please explain 
how the two terms are calculated, and i would like to know whether both
terms are mutually exclusive or whether coulomb 1-4 interaction energies
are included in coulomb SR.    
	I guess, LJ-14, is 1-4 interaction energy and SR term is for
subequent residues. But i am not very sure about this. Please confirm.

Thanking you
 Vibin Ramakrishnan         	
 Biotechnology centre                    	     
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 IIT Bombay                          	
 Ph: 91-22-5722545; ext 8193

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