VMD-L Mailing List

From: Ban Arn (ban.arn_at_gmail.com)
Date: Mon Feb 06 2012 - 11:28:12 CST

 Dear John

How to overcame this error.

Kindly advice.

Many Thanks
Balaji

On Mon, Feb 6, 2012 at 5:23 PM, John Stone <johns_at_ks.uiuc.edu> wrote:

>
> 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
>