title: Atomistic Fingerprint of Hyaluronan-CD44 Binding: Weak E-field Simulations, Upright Mode
author: Vuorio, Joni
description: Simulation files (Gromacs 4.6.7 format) for the "E-field weak, upright mode" simulations in Ref. [1]. There are 20 replicas marked with "_1" , "_2", etc. Files include: -trajectories (.xtc) that are saved every 100ps  -initial structures (.gro),  -run input files (.tpr) -checkpoint files (.cpt) -simulation parameter files (.mdp) -system topology file (.top) -topology files included in the system topology file (.itp) [1] Vuorio J. et al., Atomistic Fingerprint of Hyaluronan-CD44 Binding, PLOS Comp. Biol., 2017. (Submitted)