lost atoms in lammps

Thank you again for you response
Yes I’m some how inexperienced, I’m a PhD student in mechanical engineering and I have started to work in molecular dynamics simulation since almost two years now
The other paper from where I got the parameters was only on producing the parameters of the alloy not on md simulation
Anyways I highly appreciate your help
Do you have any suggestions on reading materials to understand the potential functions?


these are discussion points for talking to your phd adviser, or if your adviser is not able to provide that expertise, you both need to find a suitably experienced tutor for you. very few people are able to learn how to do MD simulations properly without sufficient hands-on training. beyond the fundamental science, MD is much more of a craft than it may look, so you need a proper craftsman to learn from.