[ moleculetype ]
; molname	nrexcl
SOL		2

[ atoms ]
;   nr   type  resnr residue  atom   cgnr     charge       mass
#ifdef _FF_GROMACS 
     1	   OW	   1	SOL     OW      1    -0.8476
     2	   HW	   1	SOL    HW1      1     0.4238
     3	   HW	   1	SOL    HW2	1     0.4238
#endif
#ifdef _FF_GROMOS96  
#ifdef HEAVY_H
     1	   OW	   1	SOL     OW      1    -0.8476    9.95140
     2	    H 	   1	SOL    HW1      1     0.4238    4.03200
     3	    H 	   1	SOL    HW2	1     0.4238    4.03200
#else
     1	   OW	   1	SOL     OW      1    -0.8476   15.99940
     2	    H 	   1	SOL    HW1      1     0.4238    1.00800
     3	    H 	   1	SOL    HW2	1     0.4238    1.00800
#endif
#endif
#ifdef _FF_OPLS  
     1	opls_116   1	SOL     OW      1      -0.8476
     2	opls_117   1	SOL    HW1      1       0.4238 
     3	opls_117   1	SOL    HW2	1       0.4238
#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	0.16333

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



