VMD-L Mailing List

From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Thu Jan 22 2015 - 09:32:41 CST

Dawid,

Can you verify that you are running VMD 1.9.2? The terminal window prints the VMD information upon startup.

The error traceback you provided references a namespacing convention that hasn't been used in several years. The missing "Open COLP" and "Set As Initial" buttons also suggest that you are running an older version of ffTK/VMD.

Regards,
Christopher Mayne

On Jan 22, 2015, at 7:41 AM, Dawid das wrote:

> Dear VMD experts,
>
> I am using VMD 1.9.2 from 29.12.2014. I got following error using FFTK plugin while trying
> to save psf file with updated charges:
>
> can't read "ParaToolExt::ChargeOpt::psfPath": no such variable
> can't read "ParaToolExt::ChargeOpt::psfPath": no such variable
> while executing
> "::ForceFieldToolKit::SharedFcns::reChargeFromPSF $ParaToolExt::ChargeOpt::psfPath "top""
> (procedure "::ForceFieldToolKit::gui::coptWriteNewPSF" line 28)
> invoked from within
> "::ForceFieldToolKit::gui::coptWriteNewPSF"
> invoked from within
> ".fftk_gui.hlf.nb.chargeopt.results.container2.psfNewWrite invoke "
> invoked from within
> ".fftk_gui.hlf.nb.chargeopt.results.container2.psfNewWrite instate {pressed !disabled} { .fftk_gui.hlf.nb.chargeopt.results.container2.psfNewWrite stat..."
> (command bound to event)
>
> I get this when I hit "Write" button in the Opt.Charges--->Results card.
>
> Now, what is more I have some other issues, for instance I cannot see Open COLP
> or Set As Initial at this card.
>
> Any help will be much appreciated.
>
> Best wishes,
>
> Dawid Grabarek