openmm-nf

Overview

A simple workflow to evaluate protein stability with respect to the wildtype

Configuration

param1: this is the parameter description (default: "hello")
param2: this is the parameter description (default: "world")
...
paramN: this is the parameter description (default: "flow")

Running the workflow

Install or update the workflow

nextflow pull stracquadaniolab/openmm-nf

Run the analysis

nextflow run stracquadaniolab/openmm-nf

Results

results/analysis.txt: file with the analysis results.
results/tuning.txt: file with the parameter tuning.
...

Authors

Josh David Littlefair