SIMULATIONS_V1.5 Version 1
Master Bash script to launch Molecular Dynamics when running the Simulation part of Simulation Foundry. Make sure you followed "Preparations" instructions! Read the Manual!
SEEK ID: https://fairdomhub.org/sops/392?version=1
Filename:
SIMULATIONS_V1.5.sh
Format: shell script
Size: 4.6 KB
Export PNG
Creators and Submitter
Views: 458 Downloads: 62
Created: 24th Oct 2019 at 11:21
Last updated: 7th Nov 2019 at 13:28
Last used: 20th Jun 2021 at 15:44
AttributionsNone
Version History
Version 1 Created 24th Oct 2019 at 11:21 by Gudrun Gygli
No revision comments
Related items
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
This is the simulation part of the Simulation Foundry, Version 1.5.
Download and unpack the zip file and the .sh bash script. Copy them into a folder which has a meaningful name. Launch the bash script, following the instructions in the manual.
Make sure you followed the instructions in "Preparation" before running this.
Submitter: Gudrun Gygli
Assay type: Molecular Dynamics
Technology type: All-Atom
Snapshots: No snapshots
