Re: Kinetic energy outputs

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Apr 27 2017 - 08:50:37 CDT

Perhaps you could save the velocity trajectory file and compute the KE from
the velocities of the atoms you need in VMD?

Giacomo

On Thu, Apr 27, 2017 at 7:29 AM, matthew reeves <mreeves94_at_gmail.com> wrote:

> Hi,
>
> I understand that NAMD outputs the kinetic energy of the entire system in
> a log file. Does anybody know how to alter the configuration file such that
> the kinetic energy of specific residues can be isolated instead? Thanks in
> advance for the help.
>
> Matt
>
>
>
>
>
>

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin

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