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tnorthey / triplet_energy_coupling Public

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triplet_energy_coupling

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run_min

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executable file

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3 lines (1 loc) · 139 Bytes

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triplet_energy_coupling

/

run_min

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executable file

·

3 lines (1 loc) · 139 Bytes

1

2

mpirun -n 4 /software/amber14/bin/sander.MPI -O -i 01_Min.in -p file.prmtop -c file.rst7 -o 01_Min.out -r 01_Min.rst7 -inf 01_Min.mdinfo

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