label atomi variable atomi loop 1 ${natoms} variable vx equal $(vx[v_atomi]) variable vy equal $(vy[v_atomi]) variable vz equal $(vz[v_atomi]) variable x equal $(x[v_atomi]) variable y equal $(y[v_atomi]) variable z equal $(z[v_atomi]) print "DEBUG ${timestep}: Position for atom ${atomi} is ${x} ${y} ${z}" set atom ${atomi} x $(v_x+v_vx*v_dt) set atom ${atomi} y $(v_y+v_vy*v_dt) set atom ${atomi} z $(v_z+v_vz*v_dt) next atomi jump SELF atomi