dear all users.
I want to calculate the cummulative energy of “fix temp/rescale” for group of atoms that has been sprung with “spring/self” command.
Now, i want to know, if the springs energy is included in the result of “fix temp/rescale” energy or not?
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dear all users.
I want to calculate the cummulative energy of "fix temp/rescale" for group
of atoms that has been sprung with "spring/self" command.
Now, i want to know, if the springs energy is included in the result of
"fix temp/rescale" energy or not?
you are not making much sense here.
fix spring/self affects the *potential* energy
fix temp/rescale affects the *kinetic* energy
of course, there is some exchange going on
between potential and kinetic energy all the
time, but you cannot put a label on which
energy is coming from where once it has
been converted.
axel.
That was fantastic. you are right axel.