THIS IS A TEST INSTANCE. ALL YOUR CHANGES WILL BE LOST!!!!

Apache Airavata

XSEDE14 Gateway Tutorial Input Files

Created by Marlon Pierce, last modified on Jul 10, 2014

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All inputs files are taken from public tutorials. See https://github.com/SciGaP/XSEDE-Job-Scripts/ for sources.

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

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