VMD-L Mailing List

From: Gumbart, JC (gumbart_at_physics.gatech.edu)
Date: Sun Jan 10 2021 - 06:52:25 CST

You need to load a PSF and PDB at the top of the tab.

Best,
JC

On Jan 8, 2021, at 6:41 PM, Akash Banerjee <akashneon_at_gmail.com<mailto:akashneon_at_gmail.com>> wrote:

Hi FFTK/VMD Development Team,

I am trying to visualize one of the dihedral scans for ethanol (given in the tutorial).

I am doing the following:

1. Navigate to the "Scan Torsions" tab.
2. Use the "Load Dihedral Scan Log Files" at the bottom of the page to visualize the file "ETOH.scan1.neg.log".

I get the following error:

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 am using VMD 1.9.4a12. Could you please advise me on how to resolve this?

Thank you.

Kind Regards,
Akash 

--
akash