Dear LAMMPS users,
I’m getting the following error:
ERROR: Pair_modify special setting for pair hybrid incompatible with global special_bonds setting (…/pair_hybrid.cpp:474)
The relative lines in my script and some of the pair_coeffs:
pair_style hybrid lj/sf/dipole/sf 12.0 lj/sf/dipole/sf 12.0
special_bonds amber
pair_modify pair lj/sf/dipole/sf 1 special lj/coul 0.0 1.0 1.0
pair_coeff 1 1 lj/sf/dipole/sf 1 0.550 3.050
pair_coeff 1 2 lj/sf/dipole/sf 1 0.725 4.225
pair_coeff 1 3 lj/sf/dipole/sf 1 0.943 4.125
…
pair_coeff 1 7 lj/sf/dipole/sf 1 0.268 3.775
pair_coeff 1 8 lj/sf/dipole/sf 1 0.268 3.775
…
pair_coeff 7 7 lj/sf/dipole/sf 2 0.131 4.500
pair_coeff 8 8 lj/sf/dipole/sf 2 0.131 4.500
pair_coeff 9 9 lj/sf/dipole/sf 2 0.131 4.500
pair_coeff 7 8 lj/sf/dipole/sf 2 0.024 6.100
…
I’m mixing two different force fields and I want to use the same pair_style (lj/sf/dipole/sf), but they differ in the weighting of the 1-2, 1-3 and 1-4 interactions. One of them I want lj/coul 0.0 1.0 1.0 and the other in the same way as amber.
I searched in the errors section of the manual and I found “Cannot override a setting of 0.0 or 1.0 or change a setting between 0.0 and 1.0.” I don’t know where is the problem. The above scripts lines should work. In the manual I found a similar example:
special_bonds amber
pair_hybrid lj/charmm/coul/long 8.0 10.0 lj/cut/coul/long 10.0
pair_modify pair lj/charmm/coul/long special lj/coul 0.0 0.0 0.0
Can anybody help me?
Thank you in advance.