VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Feb 06 2012 - 11:23:05 CST

So if it has correct data at the start, it would seem that you're
reading some bad data into the end of your array? Perhaps one of the
files you're reading is truncated or the code that's reading it
isn't realizing it has reached the end of the file?

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Feb 06, 2012 at 05:12:12PM +0000, Ban Arn wrote:
> 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 

-- 
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