GROMACS version: 2021.4
GROMACS modification: Yes/No
Here post your question : I want to run a simulation for 100 ns and more. But it’s taking too much time on my PC/laptop. Is there any way to run the simulation faster on my desktop/latop instead of supercomputer?
We don’t know anything about your computer, the system you are simulating and the simulation settings you are using. So, I’d say, possibly. Just switching to the latest version of GROMACS might make it slightly faster.
Hi!
A good starting point would be reading the relevant section in GROMACS manual: https://manual.gromacs.org/documentation/current/user-guide/mdrun-performance.html
It is a long read, but GROMACS offers many ways to control its performance, and this document it should give you a good overview of them.
Thank you.
Thank you for helping.