Project ID: plumID:19.077
Name: Molecular Recognition and Specificity of Biomolecules to Titanium Dioxide from MD Simulations
Keywords: metadynamics, peptide-surface binding
PLUMED version: 2.4
Contributor: Jim Pfaendtner
Submitted on: 24 Oct 2019
PLUMED input files
Last tested: 08 Apr 2020, 08:40:06
Project description and instructions
The input files can be used to generate free energy profiles in the manuscript, using “sum_hills –hills *.HILLS –idw d1.z –kt 2.5 –mintozero”. GROMACS 5.1.2 package was used for MD simulations.
[v1] 24 Oct 2019: original submission
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