VMD-L Mailing List

From: Anatoliy (science_at_president.org.ua)
Date: Wed Nov 07 2007 - 12:10:12 CST

Hi everybody,

I was trying to add some ions using grafical interface for VMD's Autoionize plugin. But insted of output I have got message like this:

    while executing
"error """
    (procedure "autoionize_usage" line 18)
    invoked from within
"autoionize_usage"
    (procedure "autoionize_core" line 19)
    invoked from within
"autoionize_core -psf C:/Program Files/University of Illinois/VMD/tut/argrs_wb.psf -pdb C:/Program Files/University of Illinois/VMD/tut/argrs_wb.pdb -o..."
    ("eval" body line 1)
    invoked from within
"eval autoionize_core $args "
    invoked from within
"if $errflag { error $errMsg $savedInfo $savedCode }"
    (procedure "autoionize" line 8)
    invoked from within
"autoionize -psf C:/Program Files/University of Illinois/VMD/tut/argrs_wb.psf -pdb C:/Program Files/University of Illinois/VMD/tut/argrs_wb.pdb -o ioni..."
    ("eval" body line 1)
    invoked from within
"eval autoionize $command_line"
    (procedure "::Autoi::run_autoi" line 70)
    invoked from within
"::Autoi::run_autoi"
    invoked from within
".autoigui.autoi invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]"
    (procedure "tk::ButtonUp" line 24)
    invoked from within
"tk::ButtonUp .autoigui.autoi
"
    (command bound to event)

Would anybody so kind to explain what does it mean and why I didn't succeed in my ionisation?
sincerely yours,
Anatoliy