From: Marc Q. Ma (qma_at_oak.njit.edu)
Date: Fri Feb 25 2005 - 15:24:33 CST
You can get the kinetic energy (and other energies) through the screen
output. when you run namd, put "> myNAMDscreen.txt" after your
commands, and the screen output will go into the myNAMDscreen.txt file.
Open that file, and you can find the columns that contain energy
components for each output step.
On Feb 25, 2005, at 1:55 PM, Gan, Yong (UMC-Student) wrote:
> In the 2-5-spec_heat of NAMD Tutorial, we can get the energy of the
> protein by running the simulation with
> ubq-get-energy.conf. Then, the DCD file is read. However, DCD file
> only has the coordinates. So, how does the simulation get the kinetic
> energy of the protein?
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:40:32 CST