[ moleculetype ]
;   molname nrexcl
    SOL     2
    [ atoms ]
    ;   number  type    res nr  res     atom    chg nr  chg
        1       OW      1       SOL     OW      1       -0.8476
        2       HW      1       SOL     HW1     1       0.4238
        3       HW      1       SOL     HW2     1       0.4238
    #ifndef FLEXIBLE
        [ settles ]
        ;   OW      funct   doh     dhh
            1       1       0.1     0.16330
        [ exclusions ]
            1       2       3
            2       1       3
            3       1       2
    #else
        [ bonds ]
        ;   i       j       funct   length  k
            1       2       1       0.1     345000  0.1     345000
            1       3       1       0.1     345000  0.1     345000
        [ angles ]
        ;   i       j       k       funct   angle   k
            2       1       3       1       109.47  383     109.47  383
    #endif
