I study a system with ellipsoid and sphere,and here some questions.
Can i treat sphere as the ellispoid which means use "fix nvt/asphere" instead of "fix nvt/sphere" to control temperature for sphere ?
Can i use just one fix command for this binary mixture system or to use two fix command to control temperature for ellispoid and sphere respectively?
looking forward to your reply
this is something, where you can figure out the answer easily yourself.
set up a small spheres-only system and simulate this with fix nvt/sphere and compute some system properties.
now convert the same system to atom style asphere and run with fix nvt/asphere and record and compute the same system properties. while the exact trajectories might be (exponentially) diverging, the overall thermodynamic properties should remain the same within the statistical error margins.
if you have still doubts, set up a system, where half of it is run with atom style asphere and the other half with atom style sphere and using the corresponding fixes. check if you see a statistically relevant difference in any of the two parts and compare to the two previous runs.
axel.