I have a fundamental doubt regarding my equilibration methodology , for all my simulations , i always run NVT first and then NPT . I run NPT untill my avg pressure is near 1 bar. None of simulations failed during production or equilibration and no blow ups .On reading some discussions on this forum , i came to know that i have to also check potential energy , error estimate , also the total drift. Does this mean that all my simulations were incorrect and if i were to perform longer equilibrations they would give me different mmpbsa results or different conformations , etc . Also i wanted to ask if npt equilibration once with restraints and once without restraints is necessary. I usualy perform npt equilibration only with restraints, is it correct. Please help me in this regard