gromacs

Description:

GROMACS performs Newtonian simulatons of molecular dynamics.

Versions:4.6.7 with gcc/5.4.0 openmpi/1.10.2; 5.1.2 with gcc/4.9.3 openmpi/1.10.2; 5.1.2 with gcc/5.4.0 openmpi/1.10.2

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