[ moleculetype ]
; molname	nrexcl
SOL		2

[ atoms ]
; id	at type	res nr 	residu name	at name		cg nr	charge
1	OW	1	SOL		OW		1      -1.77185
2	HW	1	SOL		HW1		1	0.55370
3	HW	1	SOL		HW2		1	0.55370
4	DW	1	SOL		DW		1      -1.10740
5	SW	1	SOL		SW		1       1.77185

[ polarization ]
; See notes above.	alpha (nm^3)
1	5	1 	0.00104252

;[ settles ]
; i     funct   dOH     dHH
;1       1       0.09572 0.15139

[ constraints ]
; i     funct   		doh     dhh
1       2       1       0.09572
1       3       1       0.09572
3       2       1       0.15139

[ dummies3 ]
; The position of the dummies is computed as follows:
;
;		O
;  	      
;	    	D
;	  
;	H		H
;
; 2 * b = distance (OD) / [ cos (angle(DOH)) 	* distance (OH) ]
;	  0.0137408 nm	/ [ cos (104.52 / 2 deg) * 0.09572 nm	]
;         0.01557 nm 
; Dummy pos x4 = x1 + a*(x2-x1) + b*(x3-X1)
;
; Dummy from			funct	a		b
4	1	2	3	1	0.2031807494	0.2031807494

[ exclusions ]
; iatom excluded from interaction with i
1	2	3	4	5
2	1	3	4	5
3	1	2	4	5
4	1	2	3	5
5	1	2	3	4