VMD-L Mailing List

From: RABIUL ISLAM (rblam65_at_gmail.com)
Date: Fri Sep 07 2018 - 14:08:03 CDT

Yes sir. Already I have uploaded the psf file.e Ben though I got this
massage.

On Sat, 8 Sep 2018, 12:02 am Vermaas, Joshua, <Joshua.Vermaas_at_nrel.gov>
wrote:

> Super simple question: did you load a psf file? That is what the error
> message is asking for.
>
> -Josh
>
>
>
> On 2018-09-07 12:31:43-06:00 owner-vmd-l_at_ks.uiuc.edu wrote:
>
> Hi all,
> I am parameterizing an acrylic acid molecule using the VMD fftk plugin.
> During dihedral optimization "scan torsions" window, when I load the
> gaussian log files, the following error is produced.
>
> can't read "::ForceFieldToolKit::GenDihScan::psf": no such variable
> can't read "::ForceFieldToolKit::GenDihScan::psf": no such variable
> while executing
> "if { [llength $glogs] == 0 } {
> unset glogs
> return
> } elseif { $::ForceFieldToolKit::GenDihScan::psf eq "" |.."
> invoked from within
> ".fftk_gui.hlf.nb.genDihScan.generate.load invoke "
> invoked from within
> ".fftk_gui.hlf.nb.genDihScan.generate.load instate {pressed !disabled} { --000000000000c9f03605754cba9a--