“… 42 , 48 , 49 , 55 , 56 , 62 Recently, the OPLS-AA force field, with some revisions aimed at increasing PNIPAM–water affinity, has been the one more frequently adopted. 36 , 40 − 46 , 48 − 52 , 54 , 55 , 57 − 63 Interestingly, there is an even greater heterogeneity for the water model selected to simulate this polymer in aqueous environments, including SPC, 35 SPC/E, 43 , 45 , 48 , 49 , 53 − 55 , 61 PCFF, 38 TIP3P, 37 , 39 , 56 TIP4P, 46 TIP4P/2005, 36 , 40 − 42 , 44 , 57 , 58 , 62 and TIP4P/Ice 50 − 52 , 59 , 60 , 63 water models. With this background and with the aim of extending atomistic simulation methods to other PNIPAM-based systems, it would thus be valuable for the community to identify the best protocol in terms of both PNIPAM and water parametrization.…”