VMD-L Mailing List

From: Sebastián Gutiérrez (segumal_at_gmail.com)
Date: Mon Apr 27 2009 - 16:43:10 CDT

Hello everyone,

i'm trying to build a topology file for a nanotube using Molefacture.
But i keep getting this error, I don't know what it means...
I checked the PDB file, and it doesn't have anything strange...
The nanotube has about 1200 atoms, in case someone wonders...

I'm using VMD 1.8.6 on linux (ubuntu intrepid)

Thanks in advance!

Sebastian Gutierrez

PS: Here's the log given by the error window in VMD

can't read "namehead": no such variable
can't read "namehead": no such variable
    while executing
"string toupper $namehead"
    (procedure "get_element" line 20)
    invoked from within
"get_element $name $resname $mass"
    (procedure "assign_elements" line 9)
    invoked from within
"assign_elements"
    (procedure "::Molefacture::molefacture_gui" line 70)
    invoked from within
"::Molefacture::molefacture_gui $mysel"
    (procedure "::Molefacture::molefacture_gui_aux" line 14)
    invoked from within
"::Molefacture::molefacture_gui_aux $::Molefacture::atomsel"
    invoked from within
".molefacstart.entry.go invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]"
    (procedure "tk::ButtonUp" line 22)
    invoked from within
"tk::ButtonUp .molefacstart.entry.go
"
    (command bound to event)