Tutorial-l Mailing List

From: Timothy Isgro (timisgro_at_ks.uiuc.edu)
Date: Tue Nov 07 2006 - 16:25:43 CST

Hello Li,

Maybe this sample config file will help you:
http://www.ks.uiuc.edu/~timisgro/sample.conf

It does not contain the commands for heating a system or stretching,
but you can find the heating commands in the NAMD user's guide:
http://www.ks.uiuc.edu/Research/namd/2.6/ug/
node30.html#SECTION00093400000000000000

and information and commands for stretching from the NAMD tutorial:
http://www.ks.uiuc.edu/Training/Tutorials/

Hope this helps,
Tim Isgro

On Nov 6, 2006, at 8:03 PM, Mai Suan Li wrote:

> Hi, every one
> I'm a beginer in NAMD. If some one has the configuration files
> for minimization, heating, equilibration and production runs
> for simulations of protein stretching in water by the constant force
> without periodic boundary conditions, please send them to me.
> I want to check if the corresponding files I have created is correct.
> Thanks. Li

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