This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • readme.txt: Description of all the files
  • Enhanced_TS_Data_v2.zip: TD_TS-target-plumed2.4.cpp : The code implementing the method described. It is a part of the VES module of PLUMED version 2.4 TD_TS-target-plumed2.6.cpp : The code implementing the method described. It is a part of the VES module of PLUMED version 2.6 sn2.inp : cp2k input file for SN2 reaction input.lmp : LAMMPS input file for the condensation case input : Plumed input file for the double well potential case pot_coeffs_input.data : The double well potential Plumed.dat : Plumed input file used for running TS-Target simulations ( Double well potential case) using VES