Install GROMACS on Apple Silicone (M1 series)

User discussions
1

GROMACS version: 2021.5
GROMACS modification: Yes/No

Hello there,
I just wanted to enter Bioinformatics and looking for a new machine.
Is it possible to install and run gromacs without critical issue on M1 macbook series or I must go with windows alternatives and install Linux instead?

best regards,
Kamran

2

Hi Kamran,
I installed GROMACS (v2021.1) on my 2020er MacBook Pro with an Apple M1 Chip. The installation works quite similar to the installation on Linux and it runs until now without a critical issue. I cannot say much about the run performance since I just use it for some analysis tools and preparation steps on the laptop.
Cheers,
Marius

1 Like
3

Thanks for your reply Marius

My question is, does the Mac terminal work like the Linux terminal?
And can I use linux-based terminal commands tutorials for Mac-based ones?

I want to simulate Self-assembly and encapsulation proteins.

Bests,
Kamran

4

Most types of basic commands should work for both types of operating systems. However, there are some differences which can be more or less obvious.
As I said, I don’t know much about the performance of large systems on Apple Silicone Chips. But you should be sure that your simulations can be finished in a reasonable time scale on your machine.

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5

Thanks for your response