i have simulated an ionic liquid droplet on silica surface. now after the simulation i want to find the interaction energy between the liquid and surface i ran a rerun simulation but the output file didnt have any value. it was blank can any body help me where i am doing things wrong. i am sharing my input script below.
in.lmp (6.05 KB)
this input file is rather convoluted and cluttered by many commented out lines, so it is very difficult to quickly see what could be a problem.
next time you have a problem like this please edit it to have the minimal content that reproduced the issue.
please also always mention which LAMMPS version you are using and what platform you are running on.
one option to try would be adding a “reset_timestep 0”.