Initiating a transferred downloaded Gromacs Software from a new Mac?

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:)

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.


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