In my model I have a double wall carbon nanotube. For pair_style I have used Ai_REBO. The problem I have is that the results I’ve got so far are not those I’ve expected. I’m using molecular mechanics, Minimize command. In the manual, for this command there is this"Important Note":
“It is HIGHLY RECOMMENDED that you use a pair style that goes to 0.0 at the cutoff distance when performing minimization”.
I guess the problem may be because of the non zero pair_style at the cut-off distance. I want to know how I can check this? Is there anything other than this which can make this problem?