ERROR: Incorrect args for pair coefficients (pair_sw.cpp:233)

Hello everyone,

I’m trying to simulate water (mW) through a carbon nanotube, but I’m getting an error for my pair coefficients for the water.

I’ve defined my water as type 2, so my argument is:
pair_coeff 2 2 sw mW.sw mW NULL

and my mW.sw file is:
mW mW mW 6.189 2.3925 1.80 23.15 1.20 -0.33333 7.049556277 0.6022245584 4.0 0.0 0.0

I understand my syntax is likely wrong somewhere, but haven’t been able to figure it out. Thanks.

Hello everyone,

I’m trying to simulate water (mW) through a carbon nanotube, but I’m
getting an error for my pair coefficients for the water.

I’ve defined my water as type 2, so my argument is:
​​
pair_coeff 2 2 sw mW.sw mW NULL

​nope. that is definitely wrong, as that is not how things work for
manybody potentials like stillinger weber.
if the water is type 2 then you'd rather have something like:


pair_coeff * * sw mW.sw NULL mW

please re-read the documentation to confirm.

​axel.​