Hello everyone!
After some struggling with the primary tutorial, I am now trying to build up my own model. Currently, I am confused about two points and any relevant discussion with you will be very helping.
(i) fix nve + relax pressure = fix npt? Is it a correct understanding?
(ii) If I want to calm down of the whole particle assembly (e.g. the kinetic energy as low as possible), what kind of things I can do to achieve this while keep it under acceptable computation time?
KInd regards,
lumb