VMD-L Mailing List

From: Ban Arn (ban.arn_at_gmail.com)
Date: Mon Feb 06 2012 - 11:12:12 CST

Dear John

I have added puts command in $ftemp, its gives value for 1st time step and
later it gives the same error.

foreach l [array names f] {
   set w($l) {}
   set fsum 0
   foreach ftemp $f($l) {
       *puts $ftemp*
       set fsum [expr $fsum + $ftemp * $v * $dt]
       lappend w($l) $fsum
   }
}

Kindly advice, how to modify the script.

Many Thanks
Balaji

On Mon, Feb 6, 2012 at 4:58 PM, John Stone <johns_at_ks.uiuc.edu> wrote:

>
> It would seem that $ftemp is getting set to a non-numeric value.
> Try adding a puts command in there to print $ftemp each time in the
> foreach loop, and I suspect you'll find your problem.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Mon, Feb 06, 2012 at 04:50:14PM +0000, Ban Arn wrote:
> > Dear VMD Users
> >
> > I'm using following script
> >
> > foreach l [array names f] {
> > set w($l) {}
> > set fsum 0
> > foreach ftemp $f($l) {
> > set fsum [expr $fsum + $ftemp * $v * $dt]
> > lappend w($l) $fsum
> > }
> > }
> >
> > for the calculation of work done for 10 simulations.
> >
> > While running the script it shows error as "missing operand at _@_
> > in expression "0.25771 + _@_* 1 * 1"
> >
> > I'm not a tcl expert. Kinldy advice.
> >
> > Many Thanks
> > Balaji
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> http://www.ks.uiuc.edu/Research/vmd/ Fax: 217-244-6078
>