Dear LAMMPS users,
I have two questions:
Let’s say I make nve simulation and then nvt simulation. How it is possible to use final temperature from nve simulation as an initial temperature for nvt simulation.
Let’s say I make relaxation of the cell at the beginning of the simulation, how it is possible to use the final confiuguration of the relaxation for the subsequent simulations.
In your script file, use write_restart command to write the final configuration after first run
then in your new script use read_restart command to read that file for subsequent runs.
For more details about these commands please look at the the manual.
Or you can just run the 2 simulations back to back in the same input script.
The output of the first will be the starting point of the 2nd.
Steve
Just a general comment … it’s not helpful to send email to the list with a subject like “question”. Specific subjects like “changing from nve to nvt” make it easier for those who read the list.
Best,
Rob