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