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Preparation needed to use Simulation Foundry, Version 1.5.
Please read the manual before working with this Simulation Foundry.
Pay careful attention to the installation instructions.
Note the known issues.
SEEK ID: https://fairdomhub.org/assays/1146
Experimental Assay
Projects: Simulation Foundries
Investigation: hidden item
Study: Simulation Foundry for Methanol-Water Mixtures
Assay type: Instructions
Technology type: Technical Computer Installation
Organisms: No organisms
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Created: 24th Oct 2019 at 09:57
Last updated: 7th Nov 2019 at 13:28
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Well rounded biologist/biotechnologist/biochemist/enzymologist/bioinformatician/computational biologist.
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This is a list of errors that can be produced if the Simulation Foundry is not used correctly - the messages are cryptic, hopefully the file is helpful to some.
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Assays: Preparation
Manual to Simulation Foundry Version 1.5.
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OPLSAA force field used by GROMACS on the BINAC Supercomputer (chem/gromacs/5.1.4-gnu-4.9, https://wiki.bwhpc.de/e/Category:BwForCluster_BinAC )
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Screenshot of the directory structure required for the Simulation Foundry.
Creator: Gudrun Gygli
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