Hi all ,
I encountered a problem when I run the simulation .I received the error information “ERROR: All bond coeffs are not set”.Here is my partial input files.
units lj dimension 2 boundary s s p atom_style bond read_data data.little_line100 neighbor 0.3 bin neigh_modify every 10 delay 0 check no lattice hex 0.91648 pair_style lj/smooth/linear 0.8 pair_coeff * * 1 0.712718974 0.8 bond_style harmonic/shift/cut bond_coeff 1 0.60457 1.12246 1.9 bond_style harmonic bond_coeff 2 200 1.12246 bond_coeff 3 200 1.12246 communicate single cutoff 3 vel yes
I want to set the 1st bond with style of harmonic/shift/cut ,but 2nd and 3rd bond with style of harmonic . But I am not sure whether I can do that in one input file.How can I solve the problem ? Can anone give me some suggestions or feedback? I would really appreciate your kindly help.