Published March 25, 2024 | Version v3
Journal article Open

Constant-pH molecular dynamics simulations of a proton-gated ion channel

  • 1. KTH Royal Institute of Technology
  • 2. Stockholm University
  • 3. Stockholm University, KTH Royal Institute of Technology

Description

Constant-pH molecular dynamics simulations

.analysis_results - Analysis (.csv) data and Python scripts for generating the (relevant) paper figures.

.prep_file - Topology, force field, and GROMACS parameter files for preparing the simulations.

.production_traj - Simulation trajectories and lambda coordinates.

Files

glic_cphmd.zip

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