Hi, i have already get some molecules in vacuum, according to some references i found trough the internet: pbc=no rlist =0 nstlist =0=rcoulomb=rvdw=rlist nstype angular and comm_mode = angular coulombtype and vdwtype = Cut-off

I erase the thermostat and barostat.

Usually i made two minimizations and one nvt and other npt simulation before i made the final simulation which i get to make some statistics. I wondering why i always i got a different value of energy, at least minor that i have already been reported for some other authors. Seems that energy is lost in some step of the process. Since the minimization energy is a NVE ensemble i don’t need to calculate at different temperatures, but this must be a few different since all the energy depend of the distance between the particles interconnected. I have already found some values in literature, is this correct?, of course not, it would be the same or nearly the same. What do you think?