Hi, I do not know why I obtain two difference cp and cv from NVT and NPT simulations. What I do is, I take 1000 lutidne molecules, and I do firstly an energy minimization with steep integrator, then NPT simulation at T=300 and P=1 atm for 10ns, (I obtain Cp= 230), then I run NVT for 10 ns with same mdp file except no pressure coupling, and with initial .gro file obtained from NPT run, (I obtain Cv=180). Does some one know where is my mistake? (In both runs, I obtain Cv and Cp from g_energy and in different time intervals and after equilibrited time)
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