na+_sd.mol

来自「分子动力学模拟程序」· MOL 代码 · 共 24 行

#==================================================I
#       Molecular Dynamics Data Base               I
#       Configuration and interaction potential    I
#==================================================I
#           Ion Na+                                I
#==================================================I 
#       Number of sites
 1
#       X        Y         Z         M          Q         sigma     epsilon
Na      0.        0.       0.      22.9898      1.       2.35        0.544
#    Num. of strings for the reference
4
       Ion Na+
       Parameters from:          
       D.E.Smith, L.X.Dang 
       J.Chem.Phys.,v.100(5),p.3757
#   Num. of bonds
 0
#   Num. of angles
 0
#   Num of dihedrals
 0