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Posted on November 30, 2017

GROMACS is a versatile package to perform molecular dynamics.

Note: The following additional versions of this software are located in the supplemental software stack at “/gpfs/group/RISE/sw7”. Access to some items in this stack is limited due to licensing restrictions; contact the i-ASK helpdesk for access.

  • gromacs/5.1.5-gcc-8.3.1-openmpi-3.1.6-cuda-10.2.89
  • gromacs/5.1.5
  • gromacs/2020.5-gcc-8.3.1-openmpi-3.1.6-cuda-10.2.89
  • gromacs/2020.5


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