The GROMACS path on your computer
Add your own path to a mpi version of GROMACS here. Note that you might need a '\' to skip spaces, or double quotations as in "'PATH'"
Contents
Version
2.11
Contact
Please report problems/bugs to michael.holmboe@umu.se
Examples
- PATH2GMX % Can be used to invoke Gromacs utilities, see for instance the gmx() function
- PATH2GMX('add') % adds Gromacs to the MATLAB path
function PATH2GMX = PATH2GMX(varargin) PATH2GMX ='/usr/local/gromacs-2022.2/bin'; % Note, this is a version compiled wth mpi if nargin>0 PATH=getenv('PATH'); if regexp(PATH,strcat(':',PATH2GMX)) PATH=strrep(PATH,strcat(':',PATH2GMX),''); setenv('PATH',PATH); end setenv('PATH', [getenv('PATH'),':',PATH2GMX]); % Now you could try % system('gmx editconf -h') end end