First of all I want to say that this Qs might be very basic, please excuse me.
Recently I was trying to see the differences of a system in different temperature and pressure condition, for my case I took water TIP4P/2005 model and equlibriated water at 1atm, 100 atm and 200 atm pressure with temperature 300, 350 and 400 K respectively, my confusions are
As different pressure conditions I saw that the total energy (etotal) is more or less same in three cases. But total energy should be different in different P and T, isn’t not ? If I increase P i.e. target equlibration pressure, the kinetic contribution part and virial contribution part will be increase to adjust with P i.e. kinetic energy should increase, isn’t it ?
Apart from structural property ( getting from rdf ) what are the main difference of that three system which I can observe ?
Thank you for your attention.