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Resource Name
Molecular Dynamics Workflow (BioKepler)
RRID:SCR_014389 RRID Copied      
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Molecular Dynamics Workflow (BioKepler)   (RRID:SCR_014389)
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Resource Information

URL: https://github.com/nbcrrolls/workflows/tree/master/Production/AmberGPUMDSimulation

Proper Citation: Molecular Dynamics Workflow (BioKepler) (RRID:SCR_014389)

Description: A workflow for running molecular dynamics simulations. It can be used for all-atom molecular dynamic simulations, which involve five steps of minimization, one step of heating, three steps of equilibration, and one or more instances of production. The input is a set of directories that include the MD simulation input scripts, system topology and coordinate files. Output files are list of plots, simulation trajectories, intermediate files, restart files, and the like.

Synonyms: Molecular Dynamics Workflow, AmberGPUMDSimulation, Molecular Dynamics Workflow Software, Amber GPUMD Simulation

Resource Type: workflow software, software resource, data processing software, software application

Keywords: workflow, MD, molecular dynamics, simulation, software, bio.tools

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This resource

is listed by

bio.tools

is listed by

Debian

is related to

bioKepler

has parent organization

University of California at San Diego; California; USA

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