This dataset contains all-atom molecular dynamics trajectories of TMPRSS2 (apo). The data was generated with openMM 7.4.0 with the CHARMM36 force field in the NPT ensemble at 310 K. Details about the
GAFF forcefield with BCC charges for TMA and ACE in SPCE water, as downloaded from virtualchemistry.org * 100 ns NPT for equilibrium box size * 100 ns NVT equilibration * 20 ns NVT produ
MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 2 (500-1000ns) Dataset contains trajectories (_trj) for the last 500ns of the 1000ns trajectory and topology (-out.cms). For the
