Initiating a transferred downloaded Gromacs Software from a new Mac?

User discussions
1

GROMACS version: 2020.2
GROMACS modification: Yes/No
Here post your question:

I bought a new Mac10.15.5 and transferred my previously downloaded Gromacs however can not activate this within my iTerm, I am getting this output:

joelsubach@Joels-MBP tutorial1 % source /usr/local/gromacs/bin/GMXRC
source: no such file or directory: /usr/local/gromacs/bin/GMXRC

is there some kind of initiation that I must do within my system?

Much Thanks:)
Joel

2

You don’t need to run the GMXRC script though it is probably a good idea when you have various versions of gmx installed. To use directly gmx but you need to specify either the path to it (Linux e.g /usr/local/gromacs/bin/gmx) or export the bin path to the system variable path ($PATH). Anyway, I don’t know how your transfer works but it very likely leads to a broken GROMACS for various reasons. You need to re-compile the program on your new machine to make sure it is compiled and installed based on your system structure and hardware.

–Mike

3

Hello Mike and thank you for your kind update.:)

Best,
Joel