VMD-L Mailing List

From: Tim Werner (werner_at_bioinformatik.uni-frankfurt.de)
Date: Wed Jun 11 2008 - 04:27:02 CDT

Hi all,

I am trying to import the log file of the QM single point calculation with
paratool. I have used Gaussian03 with the basis set 6-31G. The log file is
very big (2GB).
However I get the error:

Error: can't use empty string as operand of "*"

can't use empty string as operand of "*"
can't use empty string as operand of "*"
    while executing
"expr {($kc)*$h1*$h2}"
    (procedure "::Paratool::Hessian::compute_force_constants_from_inthessian"
line 164)
    invoked from within
"::Paratool::Hessian::compute_force_constants_from_inthessian"
    ("SIP" arm line 33)
    invoked from within
"switch $type {
      OPT {
         variable molidopt $newmolid
         # The join in the next line is necessary to make it work on windoze, too.
         variable molna..."
    (procedure "load_molecule" line 72)
    invoked from within
"load_molecule SIP $file"
    (procedure "::Paratool::opendialog" line 131)
    invoked from within
"::Paratool::opendialog loadsip "[file rootname
${::Paratool::molnamebase}]_sp""
    invoked from within
".paratool.#paratool#menu.#paratool#menu#hessian invoke active"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke active]"
    (procedure "tk::MenuInvoke" line 47)
    invoked from within
"tk::MenuInvoke .paratool.#paratool#menu.#paratool#menu#hessian 1
"
    (command bound to event)

cheers,
Tim