This repository contains all typical inputs and sripts used in the paper https://pubs.acs.org/doi/10.1021/acs.jctc.9b00032. They are not "ready to use" and the interested user will have to adjust a few details. For further instructions see also: https://plumed.github.io/doc-master/user-doc/html/_v_e_s__d_e_l_t_a__f.html
The used sofware is:
- PLUMED v2.6 with VES module enabled https://github.com/plumed/plumed2/tree/v2.6
- LAMMPS stable version 12 Dec 2018 https://lammps.sandia.gov/tars/lammps-12Dec18.tar.gz
- GROMACS 2018 http://ftp.gromacs.org/pub/gromacs/gromacs-2018.4.tar.gz