Gaussian Dihedral Scan Log files visualization.

From: Dipak Balasaheb Sanap (dipakbs_at_udel.edu)
Date: Sat Nov 03 2018 - 21:47:47 CDT

Dear all,

I have been trying to use ffTK to learn small molecule parameterize. And
still learning some aspects of the tutorial for ethanol. Though calculation
are without any error, I am not able to visualize Gaussian Dihedral Scan
Log files in the Scan Torsions tab. When I try to load the log file
(ETOH.scan*.log) I get the following error message:

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)

Am I missing something? Any suggestions would be really helpful.

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:21:30 CST