Re: Energy Plugin

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Mon Jan 02 2006 - 21:46:10 CST

Dear Bo,
NAMDEnergy is not fully implemented in VMD 1.8.3. If you want to use it
from the console, you should run the commands
package require namdenergy
namdenergy

to get usage instructions. A more mature version of NAMDEnergy is
included in VMD 1.8.4; there is also a GUI available in this version.
You can download this version from the VMD website.

However, I am curious what you mean by saying the energy information is
in a ---.log file. If all you want to do is extract energy information
from a preexisting log file, you are better off just using existing
shell tools (I can give you more details if you need). NAMDEnergy is
designed to do new simulations to calculate the energies of subsystems,
which cannot be obtained from the logfile of a prior run.

Peter

bo baker wrote:

>Hello, NAMD:
>I am condused on how to make the "NAMD Energy Plugin" to work in VMD?
>The energy information is in a ---.log file. I go to 'console', what
>is the command should I type? I use VMD 1.8.3. There is no "NAMD
>Energy Plugin" under "Extension - Analysis'.
>
>Thank you for your help
>
>Bo
>
>

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