Dear All,
I am a beginner. I read the manual for bond_coeff
command. However I do not completely understand about a bound type args. For example, r0 equals to 1.000 for the spc/e water model and it is written as:
bond_coeff 1 1000.00 1.000
# H-O
So, what does 1000.00
mean here?
Or, similarly, what does 100.0
mean below?
angle_coeff 1 100.0 109.47
#H-O-H