oplsaa.ff Version 1
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 )
SEEK ID: https://fairdomhub.org/documents/314?version=1
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oplsaa.ff.zip
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Creators and Submitter
Views: 734 Downloads: 92
Created: 24th Oct 2019 at 11:38
Last updated: 7th Nov 2019 at 13:28
Last used: 24th Jan 2021 at 07:41
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https://orcid.org/0000-0001-9119-1778Well rounded biologist/biotechnologist/biochemist/enzymologist/bioinformatician/computational biologist.
Programme: This Project is not associated with a Programme
Public web page: Not specified
Determination of thermophysical properties (densities, diffusion coefficients, energy contributions) of different methanol-water mixtures using molecular dynamics simulations.
Person responsible: Gudrun Gygli
Snapshots: Snapshot 1, Snapshot 2
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.
Submitter: Gudrun Gygli
Assay type: Instructions
Technology type: Technical Computer Installation
Snapshots: No snapshots
