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howto:gromacs [2024/03/19 17:39]
alopis
howto:gromacs [2024/08/12 13:29] (current)
alopis
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 ====== Gromacs ====== ====== Gromacs ======
  
-The available Easy Scripts (cpu and gpu versions) for Gromacs are: +The available **Easy Scripts** (cpu and gpu versions) for Gromacs are: 
  
-**qgromacs_2024-1,  qgromacs_2023-1, qgromacs_2022-4, qgromacs_2020-1**+**qgromacs_2024-1,  qgromacs_2023-1, qgromacs_2022-4, qgromacs_2020-1,qgromacs_2019-4, qgromacs_2018-6, qgromacs_2018-2 and qgromacs_2018 **
  
-**qgromacs_2024-1_gpu,  qgromacs_2023-1_gpu, qgromacs_2021-1_gpu, qgromacs_2020-1_gpu**+**qgromacs_2024-1_gpu,  qgromacs_2023-1_gpu, qgromacs_2021-1_gpu, qgromacs_2020-1_gpu, qgromacs_2019-4_gpu and qgromacs_2018-6_gpu**
  
  
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-**Note**, please first include this **module load** - even better if your add this line to your .bashrc:+**Note**, please first include this **module load** - even better if your add this line to your .bashrc, then the Easy Scripts should be visible and available:
  
   module load chpc/easy_scripts   module load chpc/easy_scripts
/app/dokuwiki/data/attic/howto/gromacs.1710862758.txt.gz · Last modified: 2024/03/19 17:39 by alopis