Hey there,
I have just started to learn Lammps for my PhD, and I am at the level of figuring out how things function.
I have a few question about the following easy piece of code:
molecule h2omol FlexibleH2O.txt
create_atoms 0 random 350 45615 NULL mol &
h2omol 14756 overlap 1 maxtry 50
→ here what does “mol” additon in bold letters represent?
→ as far as I understood, it creates 350 moles of water, what is the function of the second seed in that code (14756)
mol is one of the keyword of the create_atom command. Every time you have a doubt about a command, the best habit is to open the documentation for the command in question. I know that the LAMMPS documentation can be intimidating at first, but once you understand how the pages are structured, it becomes super easy to find the information you need.
molecules ! not mole !
The seed is there because LAMMPS uses pseudo-random number generator. Use a different seed to create a differently randomized system, or keep the same seed to re-launch the exact same simulation, which is very useful when debugging.
Simon
That is for the orientation of the molecules which is randomized.
Thank you so much guys!
Hello,
I also started learning LAMMPS recently for my work. I was following your tutorials PEG in Water.
I ran the same line but I am getting an error.
ERROR: Illegal create_atoms command (src/create_atoms.cpp:190)
Last command: create_atoms 0 random 350 45615 NULL mol h2omol 14756 overlap 1 maxtry 50
Can you please help what could be the problem?
I am following this tutorial Polymer in water -
Please do not append questions to an unrelated topic. Start a new topic with a suitable subject line. Also please carefully read and follow the suggestions for posting to this forum. E.g.always report which LAMMPS version you are using.