THIS IS A TEST INSTANCE. ALL YOUR CHANGES WILL BE LOST!!!!
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Input Files for Exercises
All input files are taken from public examples. For sources, please see https://github.com/SciGaP/XSEDE-Job-Scripts/.
Amber
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02_Heat.rst:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Amber/02_Heat.rst
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03_Prod.in:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Amber/03_Prod.in
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prmtop:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Amber/prmtop
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GROMACS
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pdb1y6l-EM-vacuum.tpr:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/GROMACS/pdb1y6l-EM-vacuum.tpr
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LAMMPS
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in.friction:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/LAMMPS/in.friction
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ESPRESSO
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Al.sample.in:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/ESPRESSO/Al.sample.in
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Al.pz-vbc.UPF:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/ESPRESSO/Al.pz-vbc.UPF
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NWCHEM
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water.nw:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/NWCHEM/water.nw
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Trinity
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reads.left.fq:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Trinity/reads.left.fq
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reads.right.fq:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Trinity/reads.right.fq
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Autodock
AD4_parameters.dat:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/AD4_parameters.dat
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hsg1.A.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.A.map
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hsg1.C.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.C.map
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hsg1.d.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.d.map
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hsg1.e.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.e.map
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hsg1.HD.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.HD.map
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hsg1.maps.fld:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.maps.fld
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hsg1.NA.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.NA.map
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hsg1.N.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.N.map
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hsg1.OA.map:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.OA.map
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ind.dpf:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/ind.dpf
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ind.pdbqt:
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https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/ind.pdbqt
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