How can I increase the temperature in Molecular Dynamics simulation?

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Annemarie Honegger

The temperature is adjusted by re-scaling the velocities. How you exactly do it, e.g. which parameters to set, depends on the exact program you are using - consult the manual or search the web for a tutorial

e.g. https://manual.gromacs.org/documentation/2018/user-guide/mdp-options.html#temperature-coupling

Larwubah Kollie

Thanks so much

Kiran Lokhande

If you are performing simulation on gromacs, then you just need to edit mdp files, where you can change the temperature

Ok, thanks!