Dear Andrew
I have a question about my system, solid and liquid. I like having a confined system, gold molecules are wall and decane molecules are between them,
How can I define interaction between Au-CH3 and Au-CH2 ? I erased these section in my .lt files(
“Data Pair Coeffs”) then added these lines in my system.lt:
pair_coeff @atom:Au @atom:Au au.eam.alloy Au
pair_coeff @atom:CH2 @atom:CH2 0.007597 3.905
pair_coeff @atom:CH3 @atom:CH3 0.005120 3.905
pair_coeff @atom:CH3 @atom:CH2 0.006237 3.905
pair_coeff @atom:Au @atom:CH2 0.018610 3.28
pair_coeff @atom:Au @atom:CH3 0.018610 3.28
but I got this error: