I am new to MD simulation and as part of my learning I am trying different methods to control temperature and pressure of a system by changing the factors. I am trying to apply velocity rescaling now but I am not sure how it works on lammps. I checked the documentation but I still can't figure it out how can I apply it.
Thanks
Hi,
I suggest you see the links on the topic.
https://docs.lammps.org/Howto_thermostat.html
https://www.smcm.iqfr.csic.es/docs/lammps/fix_temp_rescale.html
https://hypermd.wordpress.com/molecular-simulations/linear-motion/thermostat/
https://computecanada.github.io/molmodsim-md-theory-lesson-novice/07-thermostats/index.html
https://www.ctcms.nist.gov/potentials/iprPy/notebook/relax_dynamic.html
Best regards
I advise you to read both the MD work and the LAMMPS tutorial. I've included some helpful links here. Hopefully, it will aid in your foundational research.
- https://pubs.acs.org/doi/full/10.1021/acs.langmuir.2c00734
- Karniadakis, G., Beskok, A., & Aluru, N. (2006). Microflows and nanoflows: fundamentals and simulation (Vol. 29). Springer Science & Business Media.
- https://pubs.acs.org/doi/full/10.1021/acsomega.0c03241
-https://lammpstutorials.github.io/
Hi, sorry for my late response. Thank you very much for the resources and surely look into them.
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