Re: Extraction of force data

From: Marcos Sotomayor (sotomayo_at_ks.uiuc.edu)
Date: Thu Mar 22 2007 - 22:30:35 CDT

Hi Viral,

Those commands should be typed in a unix terminal, not the TkConsole (in
case you are using a unix machine). If you are using Windows, you may
want to check the latest Windows version of the tutorial
available at: http://www.ks.uiuc.edu/Training/Tutorials/
which I believe contains a different script to perform the same task.

Marcos

On Thu, 22 Mar 2007, Viral D. Tejani wrote:

> Hi,
>
> I am not too experienced w/ NAMD, and am practicing force extraction using
> the NAMD Tutorial. From the TkConsole, I used the following command and am
> getting the following results. (I copied and pasted the exact text from the
> TkConsole)
>
>> Main< (Tutorial) 4 % dir
> .:
> ubq.pdb ubq.psf ubq_wb.pdb ubq_wb.psf ubq_ws.pdb
> ubq_ws.psf ubq_ww_eq.pdb ubq_ww_eq.ref ubq_ww_eq2.ref ubq_ww_pcv.dcd
> ubq_ww_pcv.log
>> Main< (Tutorial) 5 % cat ubq_ww_pcv.log | awk {if ($1=="SMD") print $0}'>
> analysis/smd.dat
> can't read "1": no such variable
>> Main< (Tutorial) 6 %
>
>
> I am using the same output files as provided by the NAMD website, and do not
> know why this error is being generated and how to correct it. Any assistance
> is appreciated.
>
> - Viral
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:29 CST