VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Sun Sep 09 2018 - 13:22:22 CDT

Can you send me a minimal set of files off-list so that I can try to reproduce the error?

Best,
JC

> On Sep 9, 2018, at 2:19 PM, RABIUL ISLAM <rblam65_at_gmail.com> wrote:
>
> Thanks for your response.
> Yes, I did that but it is not working in linux system (vmd 1.9.4). But in windows system, it is working fine.
>
> On Sun, Sep 9, 2018 at 9:22 PM, JC Gumbart <gumbart_at_physics.gatech.edu <mailto:gumbart_at_physics.gatech.edu>> wrote:
> Did you actually click the load button?
>
> Best,
> JC
>
> > On Sep 7, 2018, at 3:08 PM, RABIUL ISLAM <rblam65_at_gmail.com <mailto:rblam65_at_gmail.com>> wrote:
> >
> > 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 <mailto: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 <mailto: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} {
>
>