From: Shane O Mahony (shomy303_at_gmail.com)
Date: Wed Oct 23 2013 - 10:03:37 CDT

Yes I am, I downloaded the most recent version of the alpha yesterday
(23/10/13). But I get this problem with the currently released version
as well.

On 23 October 2013 15:49, John Stone <johns_at_ks.uiuc.edu> wrote:
> Hi,
> You'll need to tell us which precise VMD version you were running since
> that directly relates to the version of the ffTK plugin that you
> were therefore using. You mention that you're using the alpha version,
> but it's best to be specific. Are you using the 1.9.2a33 version?
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
>
>
> On Wed, Oct 23, 2013 at 03:29:46PM +0100, Shane O Mahony wrote:
>> Hi,
>>
>> I'm having problems using the "optimise bonded" section of FFKT. I'm
>> using the alpha version (this also occurs in the current release).
>> When I click "Guess" in the "Parameters to optimize" subsection after
>> inputted the needed files, I get the following error:
>>
>> can't use empty string as operand of "*"
>> can't use empty string as operand of "*"
>> while executing
>> "expr {3*$natoms}"
>> (procedure "::QMtool::load_gaussian_log" line 50)
>> invoked from within
>> "::QMtool::load_gaussian_log $hessLog $hessLogID"
>> (procedure "::ForceFieldToolKit::gui::baoptGuessPars" line 46)
>> invoked from within
>> "::ForceFieldToolKit::gui::baoptGuessPars "
>> invoked from within
>> ".fftk_gui.hlf.nb.bondangleopt.pconstr.fftkGuessPars invoke "
>> invoked from within
>> ".fftk_gui.hlf.nb.bondangleopt.pconstr.fftkGuessPars instate {pressed
>> !disabled} { .fftk_gui.hlf.nb.bondangleopt.pconstr.fftkGuessPars state
>> !pressed; ..."
>> (command bound to event)
>>
>> Any help would be appreciated,
>>
>> Thanks,
>>
>> Shane
>
> --
> NIH Center 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/