Time reporting has float error

[davidoskky]

Hello, I'm running the development version. The reported time presents variations in small decimal numbers, I'm wondering if that is the real time of the simulation or if it is a floating point approximation. I imagine the latter since the timestep is an integer number.

Versions: openfe 0.15.0+315.g60a5eca openfe-analysis 0.2.0 gufe 0.10.0+25.g6475936

#"Step","Time (ps)","Potential Energy (kJ/mole)","Kinetic Energy (kJ/mole)","Total Energy (kJ/mole)","Temperature (K)","Box Volume (nm^3)","Density (g/mL)","Speed (ns/day)"
275250,1101.0000000016123,-1513177.195653773,281099.61265226157,-1232077.5830015114,300.53213164335966,1110.8722854062532,1.0113971314879227,0
275500,1102.0000000015887,-1514694.6284266198,281524.2596771021,-1233170.3687495177,300.986134672276,1111.351750001563,1.0109607897839161,62.5
275750,1103.000000001565,-1516134.323078569,281896.2790246153,-1234238.0440539536,301.383871853291,1111.5121505590835,1.0108148996339694,63.1
276000,1104.0000000015414,-1515533.9000263875,281266.84228145867,-1234267.0577449289,300.7109219179614,1111.7632311723871,1.0105866171923306,63.1

The script I'm running:

protein = openfe.ProteinComponent.from_pdb_file(protein_file)
solv = openfe.SolventComponent(ion_concentration=0.15 * unit.molar)
simulation_system = ChemicalSystem({"solvent": solv, "protein": protein})
md_settings = PlainMDProtocol.default_settings()
protocol = PlainMDProtocol(md_settings)
dag = protocol._create(
    stateA=simulation_system, stateB=simulation_system, mapping=None
)
protocolRunner = dag[0]
result = protocolRunner.run()