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From: RABIUL ISLAM (rblam65_at_gmail.com)
Date: Fri Sep 07 2018 - 12:42:29 CDT
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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} { .
fftk_gui.hlf.nb.genDihScan.generate.load state !pressed;
.fftk_gui.hlf.nb.gen..."
(command bound to event)
I have followed all the procedures correctly for didhedral optimization and
is unable to guess what might have been wrong. Kindly help.
Thanking You
On Fri, Sep 7, 2018 at 3:00 PM, RABIUL ISLAM <rblam65_at_gmail.com> 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} { .
> fftk_gui.hlf.nb.genDihScan.generate.load state !pressed;
> .fftk_gui.hlf.nb.gen..."
> (command bound to event)
>
> I have followed all the procedures correctly for didhedral optimization
> and is unable to guess what might have been wrong. Kindly help.
>
> Thanking You
> Rabiul Islam
>
-- Thanks and Regards Md Rabiul Islam Junior Research Fellow Prof. T Pradeep's Group DST Unit of Nanoscience Dept. of Chemistry IIT Madras, Chennai-36 Ph: 9444629520
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