VMD-L Mailing List

From: Valentin Gogonea (v.gogonea_at_csuohio.edu)
Date: Sun Jul 05 2020 - 10:23:42 CDT

Hi VMD-users:

I am getting the following error when I am using ffTK for torsion angle optimization.

Can anybody give me a hint of what can I do to fix it? Below is the full error message.

Thank you.

Valentin

can't read "kList": no such variable
can't read "kList": no such variable
    while executing
"list $kList $boundsList"
    (procedure "::ForceFieldToolKit::DihOpt::pardata2klist" line 24)
    invoked from within
"::ForceFieldToolKit::DihOpt::pardata2klist $dihToFit"
    (procedure "::ForceFieldToolKit::DihOpt::optimize" line 176)
    invoked from within
"::ForceFieldToolKit::DihOpt::optimize"
    (procedure "::ForceFieldToolKit::gui::doptRunOpt" line 64)
    invoked from within
"::ForceFieldToolKit::gui::doptRunOpt "
    invoked from within
".fftk_gui.hlf.nb.dihopt.runOpt invoke "
    invoked from within
".fftk_gui.hlf.nb.dihopt.runOpt instate !disabled { .fftk_gui.hlf.nb.dihopt.runOpt invoke } "
    invoked from within
".fftk_gui.hlf.nb.dihopt.runOpt instate pressed { .fftk_gui.hlf.nb.dihopt.runOpt state !pressed; .fftk_gui.hlf.nb.dihopt.runOpt instate !disabled { .ff..."
    (command bound to event)

Valentin Gogonea, Ph.D.
Professor
Department of Chemistry
Cleveland State University
2121 Euclid Avenue, SI 422
Cleveland, OH 44115
Tel: (216) 875-9717
Fax: (216) 687-9298
v.gogonea_at_csuohio.edu