Re: how to kill namd job in TCL FORCES Script?

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Mon Jul 16 2007 - 12:41:59 CDT

Hi Harish,
Using the command
error "Error message"
within the script may do what you want.
Jerome

On 7/16/07, hl332_at_drexel.edu <hl332_at_drexel.edu> wrote:
>
> Hi all,
> I have been using tcl forces utility of namd to apply some forces. I am looking for a way to kill running NAMD process if a certain condition is not met when each time forces script is called from config file. Because namd reads all parameters in config file at time zero, i did not find a way to make 'run 0' after certain time. Can someone suggest a command or a way like how to access the job id from tcl forces script so that i can kill it.
>
> Any help will do great.
>
> Regards
> Harish
>
>
>
> -------------------------------------------------
> Harish Vashisth (Ph.D Candidate)
> CAT-361,Chemical & Biological Engg.
> Drexel University, Philadelphia, PA
> office: 215-895-5823
>
>

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