Publication date: Jun 22, 2020
This record contains files necessary to reproduce enhanced sampling well-tempered metadynamics (wtMTD) and parallel tempering metadynamics in the well-tempered ensemble (PT-MetaD-WTE) simulations in PLUMED using GROMACS 2018.3.
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|21.4 KiB||This file contains all the plumed files necessary to run enhanced sampling jobs described in the corresponding paper|
|489 Bytes||README file with a description of the contents of the files uploaded|