VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Wed Nov 12 2014 - 06:51:52 CST

Hey,

You probably need to give a little more detail. From the error it can be
speculated that you are trying to just MULTIPLY something and one of then
or maybe both have not been initialized.

You will have to look at this yourself, or provide more detail, if you
expect some constructive feed back.

Best,
/A

On Wed, Nov 12, 2014 at 11:40 PM, SEZEN VATANSEVER <svatansever13_at_ku.edu.tr>
wrote:

> * Dear VMD users/experts, *
> * I have been trying to use the Force field toolkit in VMD 1.9.2 Beta
> (Windows) to parameterize a new molecule. **In the "Opt.Bonded" tab, when
> I tried to Run Optimisation, I got the ** I got the following error
> message: *
>
>
> *"can't use empty string as operand of "*"can't use empty string as
> operand of "*" while executing"expr {($kc)*$h1up*$h2up}" (procedure
> "::ForceFieldToolKit::BondAngleOpt::computePESqm" line 197) invoked from
> within"::ForceFieldToolKit::BondAngleOpt::computePESqm $hessLogID"
> (procedure "::ForceFieldToolKit::BondAngleOpt::optimize" line 93)
> invoked from within"::ForceFieldToolKit::BondAngleOpt::optimize"
> (procedure "::ForceFieldToolKit::gui::baoptRunOpt" line 40) invoked from
> within"::ForceFieldToolKit::gui::baoptRunOpt " invoked from
> within".fftk_gui.hlf.nb.bondangleopt.runOpt invoke " invoked from
> within".fftk_gui.hlf.nb.bondangleopt.runOpt instate {pressed !disabled} {
> .fftk_gui.hlf.nb.bondangleopt.runOpt state !pressed;
> .fftk_gui.hlf.nb.bondangleopt...." (command bound to event)"I found a
> solution offer from there:
> http://guido.vonrudorff.de/force-field-toolkit-empty-string-during-bonded-optimization/But
> it didn't help me. Is there any way to solve this problem? *
>
> 

-- 
Best,
/A