Hello, I am using the LAMMPS version “64-bit 27 May 2021” for my simulation. I am defining the pair by command “Pair_style hybrid” and met with the error “Pair coeff for hybrid has invalid styles”. Below are my scripts: pair_style hybrid lj/cut 5 lj/cut 10 tersoff lj/cut 10 lj/cut/coul/cut 10 lj/cut/coul/cut 5 pair_coeff 1 1 lj/cut 1 4.477 0 pair_coeff 1 2* lj/cut 0 0 pair_c…

Dear LAMMPS user, I work on a simulation box which is divided into different regions and I am going to fill each of them with specific orientation. Now, the question is: when I choose my box’s & ever region’s dimension based on lattice parameter, the result is: Step Press Temp TotEng PotEng Lx Ly Lz 0 nan 0 inf inf 7.04 14.08 3.52 1 nan 0 inf inf 7.04 14.08 3.52 but, when…

Dear All, I try to investigate the adhesion property between metal and polymer, such as polyethylene and copper. So, I built a copper substrate and added some polymers on it and then combined them into one model by reading data twice. The polymer chain is long and have 500 repeated units. It is not easy to obtain the desired high density by Packmol or Materials Studio before being…

Dear Alex, Thanks for your quick response. I understand the issue. According to your message, I am writing in a new thread. As I understood from your discussion, out of the following steps for preparing glass for estimating diffusion at 3000K, I need the- velocity mixing (nvt) at 4000K for 10 ps Relaxation at 4000K (npt) 30 ns Cooling from 4000K to 3000K at zero pressure (npt) …