Hello,I am puzzled about the “compute temp” command .I know that the temperature is computed from total kinetic energy,however,Do the total kinetic energy include the non-translational kinetic energy?
Thank you very much !
Best regards!
The doc page for the compute temp command
lists the formula it uses. It is just translational
KE. There are other variants like compute temp/sphere
that add rotational KE, if that is what you
are looking for.
Steve
Hello,Thank you ver much for your help!
Best regards !
2011/9/13 Steve Plimpton <[email protected]>