[ moleculetype ]
; molname	nrexcl
SOL		2

[ atoms ]
;   nr   type  resnr residue  atom   cgnr     charge       mass
#ifdef _FF_GROMACS 
     1	   OW	   1	SOL     OW      1      -0.82
     2	   HW	   1	SOL    HW1      1       0.41
     3	   HW	   1	SOL    HW2	1       0.41
#endif
#ifdef _FF_GROMOS96  
#ifdef HEAVY_H
     1	   OW	   1	SOL     OW      1      -0.82    9.95140
     2	    H 	   1	SOL    HW1      1       0.41    4.03200
     3	    H 	   1	SOL    HW2	1       0.41    4.03200
#else
     1	   OW	   1	SOL     OW      1      -0.82   15.99940
     2	    H 	   1	SOL    HW1      1       0.41    1.00800
     3	    H 	   1	SOL    HW2	1       0.41    1.00800
#endif
#endif
#ifdef _FF_OPLS  
     1	opls_116   1	SOL     OW      1      -0.82 
     2	opls_117   1	SOL    HW1      1       0.41   
     3	opls_117   1	SOL    HW2	1       0.41  
#endif

#ifdef _FF_AMBER94
     1  amber94_42   1  SOL     OW      1      -0.82  15.99940
     2  amber94_27   1  SOL    HW1      1       0.41   1.00800
     3  amber94_27   1  SOL    HW2      1       0.41   1.00800
#endif

#ifdef _FF_AMBER99
; also applies to FF_AMBER99P, FF_AMBER99SB, FF_AMBER03
     1  amber99_54   1  SOL     OW      1      -0.82  15.99940
     2  amber99_55   1  SOL    HW1      1       0.41   1.00800
     3  amber99_55   1  SOL    HW2      1       0.41   1.00800
#endif

#ifdef FLEXIBLE
[ bonds ]
; i	j	funct	length	force.c.
1	2	1	0.1	345000	0.1     345000
1	3	1	0.1	345000	0.1     345000
	
[ angles ]
; i	j	k	funct	angle	force.c.
2	1	3	1	109.47	383	109.47	383
#else
[ settles ]
; OW	funct	doh	dhh
1	1	0.1	0.16330

[ exclusions ]
1	2	3
2	1	3
3	1	2
#endif