New software installed GROMACS 2020

Dear users, we have installed a new software: GROMACS 2020 for CUDA.

[sagon@login2 GROMACS][master] $ ml spider GROMACS/2020

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  GROMACS: GROMACS/2020
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    Description:
      GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. This is a GPU enabled build,
      containing both MPI and threadMPI binaries.


    You will need to load all module(s) on any one of the lines below before the "GROMACS/2020" module is available to load.

      GCC/8.3.0  CUDA/10.1.243  OpenMPI/3.1.4

    Help:

      Description
      ===========
      GROMACS is a versatile package to perform molecular dynamics,
       i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

      This is a GPU enabled build, containing both MPI and threadMPI binaries.


      More information
      ================
       - Homepage: http://www.gromacs.org

Here is an example to use it on Baobab.