Data for: "Atomistic Study of Zwitterionic Peptoid Antifouling Brushes"



Molecular dynamics parameters and trajectory supplementary files for 100 ns simulations of Zwitterionic Peptoid Antifouling Brushes.

"Peptoid brush MD setup" contains setup files for molecular dynamics simulations, all in text format regardless of file extension:
Starting conformations, gromacs topology, and index files for each system
Gromacs run parameter file (nvt.mdp) - same for all simuulations
Topology and parameter files for rutile surface
Replacement residuetypes, ffbonded and ffnonbonded files

"" contains video files of molecular dynamics simulations in .mpg mpeg format.
Date made available14 Dec 2018
PublisherUniversity of Strathclyde
Date of data production9 Jun 2018

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