ar.mol

分子动力学模拟程序

#==================================================I
#       Molecular Dynamics Data Base               I
#       Configuration and interaction potential    I
#==================================================I
#           Argon                                  I
#==================================================I 
#       Number of sites
 1
#       X        Y         Z         M          Q         sigma     epsilon
Ar      0.        0.       0.      39.948      0.        3.41        0.9939
#    Num. of strings for the reference
4
       Argon
       Parameters from:          
        ...       

#   Num. of bonds
 0
#   Num. of angles
 0
#   Num of dihedrals
 0