VMD-L Mailing List

From: RABIUL ISLAM (rblam65_at_gmail.com)
Date: Fri Sep 07 2018 - 04:30:51 CDT

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