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gromacs-software [2018/07/16 18:48]
aorth created
gromacs-software [2018/07/16 18:48] (current)
aorth [Installation]
Line 35: Line 35:
 $ sudo chown -R root:root /​export/​apps/​gromacs/​2018.2</​code>​ $ sudo chown -R root:root /​export/​apps/​gromacs/​2018.2</​code>​
  
-Gromacs recommends ​using the ''​GMXRC.bash''​ script to set up the user's environment,​ but since we're using environment modules we can't do that. Instead, I compared the output ''​env''​ before and after loading the ''​GMXRC.bash''​ environment and then used that to create the module file.+Gromacs recommends ​sourcing ​the ''​GMXRC.bash''​ script to set up the user's environment,​ but since we're using environment modules we can't do that. Instead, I compared the output ''​env''​ before and after loading the ''​GMXRC.bash''​ environment and then used that to create the module file.
gromacs-software.txt · Last modified: 2018/07/16 18:48 by aorth