title: HpTonB(30-285) simulation CHARMM36m
author: Ollila, O. H. Samuli
description: Simulation of periplasmic part of TonB protein from Helicobacter Pylori HpTonB(30-285) with CHARMM36m force field. The last 400ns from 520ns simulation. The conformational ensemble is too collapsed here according to the comparison with experimental spin relaxation data.