VMD-L Mailing List

From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Sat Feb 08 2014 - 18:40:16 CST

Hi all,

I noticed the error pasted below popping up occasionally when trying to run AutoIMD. It turns out this arises when AutoIMD is run twice after having previously run Multiseq. Multiseq leaves behind hidden representations with segnames in quotes, e.g.

chain P and segname "P1"

On the first run-through, AutoIMD converts these to e.g.

(chain P and segname "P1") and not imdmolten

... then on trying to run AutoIMD a second time it gets confused and crashes with the error below.

Cheers,

Tristan

list element in quotes followed by ")" instead of space
list element in quotes followed by ")" instead of space
    while executing
"llength $sel"
    (procedure "add_exclude_to_background" line 5)
    invoked from within
"add_exclude_to_background"
    (procedure "initparams" line 61)
    invoked from within
"initparams"
    (procedure "AutoMDFF::submit" line 12)
    invoked from within
"AutoMDFF::submit "$AutoMDFF::settings::moltenseltext""
    invoked from within
".automdff.win.controls.submit invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]"
    (procedure "tk::ButtonUp" line 22)
    invoked from within
"tk::ButtonUp .automdff.win.controls.submit"
    (command bound to event)