MD simulation of HpTonB(30-285) in 40mM NaCl with Amber ff03ws force field

<p>MD simulation of periplasmic part of TonB protein from <em>Helicobacter Pylori</em> HpTonB(30-285) with Amber ff03ws force field with 40 mM NaCl. Trajectory contains the last 1000ns of the simulation.</p> <p>nojump_nowater.xtc (10 ps saving frequency),&nbsp;md_noSOL.tpr, and&nbsp;confENDprot.gro contain only protein.</p> <p>micro_40mMNaClskip.xtc (100 ps saving frequency), md.tpr and confEND.gro contain also solvent.</p> <p>Force field parameters for proteins and counterions are dowloaded from https://github.com/bestlab/force_fields, for NaCl from https://bitbucket.org/hseara/ions</p>