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Scripts and Input Files for Simulation V1.5

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

Overview of the results obtained from the Simulation Foundry.

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

Overview of the quality control checks obtained from the Simulation Foundry.

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

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.

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

Manual to Simulation Foundry Version 1.5.

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

Scripts and Input Files for Analysis V1.5

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

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 )

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

Screenshot of the directory structure required for the Simulation Foundry.

Creator: Gudrun Gygli

Submitter: Gudrun Gygli

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