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6 lines
169 B
6 lines
169 B
2 years ago
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; to test
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; gmx grompp -f md.mdp -c em.gro -p system_GMX.top -o md.tpr
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; gmx mdrun -ntmpi 1 -v -deffnm md
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integrator = md
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nsteps = 10000
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