trajectory_name,PDB_ID,temperatures,comments
equilibrium,,,
6Nov22,1srl,"“[0.85, 0.9, 0.925, 0.95, 0.975, 1.0, 1.05]”",“LJ 12/10; estimated T_f = 0.954”
8Nov22_CV,1ucs,1.145,
11Dic22_CV,1srl,1.0125,
kinetics,,,
29Oct22_CV,1ucs,1.0305,“first set of 50 runs”
31Oct22,1srl,0.945,“first set of 50 runs”
2Nov22_CV,1ucs,1.0305,“second set of 50 runs”
7Nov22,1srl,0.945,“second set of 50 runs; these runs for half the time with respect to the 21Oct22 dataset”
29Oct22_CV_increment,1ucs,1.0305,“continuation of those trajectories in 29Oct22_CV that ends into the IT ensemble”
2Nov22_CV_increment,1ucs,1.0305,“continuation of those trajectories in 2Noc2222_CV that ends into the IT ensemble”