[gmx-users] How to check whether GROMACS was installed correctly?

[Mark Abraham]

Tsjerk Wassenaar wrote:
> Vladimir,
> 
> The default "--prefix" is /usr/local. You're not allowed to write
> there as user, that's why that failed. So it did succeed as root; root
> is allowed to write there. I suggest installing as user, with
> ./configure --prefix=/home/vladimir/gmx331 and whatever other options
> you need. Check ./configure --help

Yes... Vladimir appears to be confusing doing the build from 
/home/vladimir/gmx331 with the destination for that build... which is 
under /usr/local unless you actually specific differently to configure.

Vladimir, somewhere there are instructions about including "sourcing" 
GMXRC in your .bashrc or .cshrc files. Until you've done this, the 
gromacs binaries won't be on your PATH. The good thing about using 
configure, is that GMXRC will point to the right things irrespective of 
the inputs to configure... this beats doing it by hand when you go to 
change things later on!

Mark