Re: Temperature gradient!

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Thu May 27 2010 - 07:39:32 CDT

Hi,
Your best bet would be to write a TclForces or TclBC script
implementing a custom thermostat on subsets of atoms (while disabling
NAMD's built-in thermostats). The script would have to evaluate atom
velocities from finite differences.
Cheers,
Jerome

On 27 May 2010 05:35, Ranyere Deyler <ranyere_at_gmail.com> wrote:
> Dear Namd Users. I need to do something, and i don't know how to do it using
> Namd. I need to put different temperature in different regions of my system,
> or create a temperature gradient within an interval. Can NAMD handle
> diferent temperatures in the same system? if it does, how's it done?? Or if
> it doesn't, anyone has some idea of doing something similar to that?
> Thanks a lot.
>
> Ranyere Deyler Trindade
> Universidade de Campinas
> Campinas-sp
> Brasil
>

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