Dear All LAMMPS Users,
To save time, when i usually use lammps to perform MD simulations, restart files will be output in my simulation. however, recently i used restart files which are output at differnt steps to continue a MD simulation and found that the results cannot match well. for example, in the original input file, restart files are output at regular intervals such as restart500,restart1000.
then i used these two restart files to continue a MD silulation and run to 2000-step, but their respective results are different. and how can i solve this problem?
in the two input files in which the two restart files (restart500 and restart1000) are used, i used such key lines which are the same as that in the original input file,
compute mytemp all temp/partial 1 0 1
fix 1 all nvt temp 0.5 0.5 0.005
fix_modify 1 temp mytemp
fix 2 lower setforce 0 0 0
fix 3 upper setforce 0 0 0