Project ID: plumID:22.036
Name: Well-tempered MetaDynamics with Hamiltonian Replica Exchange on Holliday Junction
Keywords: Well-tempered MetaDynamics with Hamiltonian Replica Exchange
PLUMED version: 2.5.6
Contributor: Miroslav Krepl
Submitted on: 24 Sep 2022
PLUMED input files
Last tested: 19 Nov 2022, 10:48:11
Project description and instructions
Detailed instruction under README.dat file. The topology and coordinate files were prepared in AMBER18, proceeded by ParmED. Then, they were converted to GROMACS format by ParmED. GROMACS-v2018 and PLUMED-v2.5.6 were used for the WT-MetaD-HREX simulations, and the latter was also used for data processing.
[v1] 24 Sep 2022: original submission
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