VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Feb 06 2012 - 11:54:35 CST

On Mon, Feb 6, 2012 at 12:51 PM, Ban Arn <ban.arn_at_gmail.com> wrote:
> Dear John & Axel
>
> Kindly find the attachment for reference file which I have been using for
> the above script..
>
> The file has 11 columns 1st is time step, 2-6 columns are displacement and
> 7-11 columns are respective forces.

i don't see the relation of this file with the piece of script code.

axel.

>
> Kindly advice.
>
> Many Thanks
> Balaji
>
>
>
> On Mon, Feb 6, 2012 at 5:46 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>>
>> On Mon, Feb 6, 2012 at 11:50 AM, Ban Arn <ban.arn_at_gmail.com> 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.
>>
>> ...and we don't know what you have in your "f" array.
>> apparently no numbers.
>>
>> axel.
>>
>>
>> >
>> > Many Thanks
>> > Balaji
>> >
>> >
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer
>> akohlmey_at_gmail.com  http://goo.gl/1wk0
>>
>> College of Science and Technology
>> Temple University, Philadelphia PA, USA.
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.