noble

# water system file
#

   1     # Nr. of different species' of molecules
   2     # Nr. of different Lennard-Jones-types (including "NO" LJ-type !)

#
# for each species:
#
# NoM NoS NoB NoA NoD NoI
#

   500  1   0   0   0   0

#
# for each LJ-type
#
# Number  - epsilon [kJ/mol] - sigma [nm]
#

   0  0.0      0.0
   1  0.5      0.3

#
# for each species :
# 
# for each site:
#
# number  LJ-type   mass [amu]  charge [e0]
#

   0  1  30.0  0.0

#
# for each bond
#
# number index1 index2 bondlenght [nm]
#

#
# for each angle
# 
# number index1 index2 indxe3 angle force 
# 
   
# 
# for each dihedral angle
#
# number index1 index2 indxe3 index4 period angle force
#