Removing Installation

Compiled From Source

To find the path to the current version of GROMACS that is installed, type the following command:

which mdrun

It should be under something like /usr/local/gromacs or some other custom location if the default was not used when installed. Note that there may be symbolic links in /usr/local/bin that point to /usr/local/gromacs, so that should be checked if that is the path that comes up. These links will appear if make links was executed at the end of the installation process.

The gromacs directory and all subdirectories now need to be deleted. If the package was installed as root, then will have to be deleted as root. To delete a directory and all subdirectories, without any warnings or interaction, the following command can be used:

rm -rf /usr/local/gromacs

Installed Using RPM

This "SHOULD" be the procedure for removing an RPM installed package. Has to be verified by those that have used it.

If installed using rpm, can also uninstall in a similar manner. To check what is installed, type the following command. This will list all rpm packages installed which contain 'gromacs' in the package name.

rpm -qa | grep gromacs

To remove each of the installations, use the following command(s):

rpm -e packagename

If want to keep package dependencies in tact, then use the following:

rpm -e --nodeps packagename