Published June 28, 2021 | Version 1
Dataset Open

Polyelectrolyte in a water cavity

  • 1. CEA

Description

The compressed file provide 400 snapshots of a molecular dynamics simulation performed at ambient condition using the POLARIS(MD) code (http://biodev.cea.fr/polaris/) and polarizable force fields of a polyelectrolyte in compact quasi spherical conformation as embedded in a spherical cavity comprising about 7 500 water molecules. 

Files

Files (142.0 MB)

Name Size Download all
md5:e4f5559c382358fc23141aa055517ddd
142.0 MB Download