Amber: 02_Heat.rst: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Amber/02_Heat.rst 03_Prod.in: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Amber/03_Prod.in prmtop: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Amber/prmtop GROMACS: pdb1y6l-EM-vacuum.tpr: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/GROMACS/pdb1y6l-EM-vacuum.tpr LAMMPS: in.friction: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/LAMMPS/in.friction ESPRESSO: Al.sample.in: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/ESPRESSO/Al.sample.in Al.pz-vbc.UPF: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/ESPRESSO/Al.pz-vbc.UPF NWCHEM: water.nw: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/NWCHEM/water.nw Trinity: reads.left.fq: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Trinity/reads.left.fq reads.right.fq: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/Stampede/Trinity/reads.right.fq Autodock: AD4_parameters.dat: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/AD4_parameters.dat hsg1.A.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.A.map hsg1.C.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.C.map hsg1.d.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.d.map hsg1.e.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.e.map hsg1.HD.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.HD.map hsg1.maps.fld: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.maps.fld hsg1.NA.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.NA.map hsg1.N.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.N.map hsg1.OA.map: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/hsg1.OA.map ind.dpf: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/ind.dpf ind.pdbqt: https://github.com/SciGaP/XSEDE-Job-Scripts/blob/master/BigRed2/Autodock/ind.pdbqt