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This repository has files for the Well-Tempered Metadynamics simulation of lasso peptides using HLDA CVs.

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gabedahora/HLDA-WTMetaD-lasso

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HLDA-WTMetaD-lasso

This repository has files for the Well-Tempered Metadynamics simulation of lasso peptides using HLDA CVs. Download and extract the zip file. It should contain 3 folders:

  • MccJ25
  • Uln (Ulleungin)
  • Sun (Sungsanpin)

Each folder contains the set of parameters necessary to start a simulation with each specific peptide.

The simulations were performed with Amber20 patched with PLUMED version 2.7.1

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This repository has files for the Well-Tempered Metadynamics simulation of lasso peptides using HLDA CVs.

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