Re: Turning off tcl forces

From: Victor Ovchinnikov (ovchinnv_at_mit.edu)
Date: Wed Jun 13 2007 - 11:19:25 CDT

You can try putting the following line around the 'addforce' command in
the TCL script:

if {[getstep] <= 10000} {
 addforce ...
}

or see the user's guide on page 75

Victor

On Wed, 2007-06-13 at 11:42 -0300, Cesar Luis Avila wrote:
> During membrane equilibration I was using Alek's keep_water_out.tcl
> script. After running 10000 steps I wanted to turn off the tcl forces ,
> and run for another 200000 steps.
>
> tclForces on
> run 10000
>
> tclForces off
> run 200000
>
>
> After the first 10000 steps it stopped with the message
>
> TCL: Reassign waters to push at step: 10000
> TCL: Setting parameter tclForces to off
> FATAL ERROR: Setting parameter tclForces from script failed!
>
> I guess it is not possible to turn off Tcl Forces within the same
> script? Or am I using the wrong command?
> Regards

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