Hello everyone,
I would like to know the diffeernce between the potential energy and total energy in Forcute in MS.
When I ran a dynamic like NVT, I found there were several lines in energy window (potential, kinetic, non-bond, total), and also there is total energy in Status window. if I write a script like,
\\\$calcSheet->Cell(1, 1) = \\\$allDoc->PotentialEnergy, does the PotentialEnergy refer to the potential energy or the total energy? and what is the difference?
Thanks in advance.
Shining
I would like to know the diffeernce between the potential energy and total energy in Forcute in MS.
When I ran a dynamic like NVT, I found there were several lines in energy window (potential, kinetic, non-bond, total), and also there is total energy in Status window. if I write a script like,
\\\$calcSheet->Cell(1, 1) = \\\$allDoc->PotentialEnergy, does the PotentialEnergy refer to the potential energy or the total energy? and what is the difference?
Thanks in advance.
Shining
