From: Gumbart, JC (
Date: Mon May 23 2022 - 17:33:14 CDT

Hi Zak,

Sorry for taking so long to reply. If you haven’t been able to solve this yet, could you please send me off-list the rest of the files I need to try to reproduce the error?


On May 10, 2022, at 4:14 AM, Zakaria Bouchouireb <<>> wrote:

Dear all,

I am currently trying to use FFTK to parameterize a new compound. While trying to run bond optimization, I got the following error:

unmatched open quote in list
unmatched open quote in list
    while executing
"lrange $line 0 1"
    (procedure "read_harmonic_frequencies" line 18)
    invoked from within
"read_harmonic_frequencies $file"
    (procedure "::QMtool::load_gaussian_log" line 61)
    invoked from within
"::QMtool::load_gaussian_log $hessLog $hessLogID"
    (procedure "::ForceFieldToolKit::Gaussian::zmatqm_BondAngleOpt" line 12)
    invoked from within
"::ForceFieldToolKit::${::ForceFieldToolKit::qmSoft}::zmatqm_BondAngleOpt $debug $debugLog $hessLogID $hessLog "
    (procedure "::ForceFieldToolKit::BondAngleOpt::optimize" line 79)
    invoked from within
    (procedure "::ForceFieldToolKit::gui::baoptRunOpt" line 40)
    invoked from within
    invoked from within
".fftk_gui.hlf.nb.bondangleopt.runOpt invoke "
    invoked from within
".fftk_gui.hlf.nb.bondangleopt.runOpt instate {pressed !disabled} { .fftk_gui.hlf.nb.bondangleopt.runOpt state !pressed; .fftk_gui.hlf.nb.bondangleopt..."
    (command bound to event)

After some digging in the mailing list archive, it seems that the error could arise from the parser of QMtool module. I used Gaussian 16 ES64L-G16RevA.03 for the hessian calculation (it did finish without any problems).

The log file can be accessed here :;!!DZ3fjg!4UlrX0xoO7_XJTcIxZpWDb3HsrDDSb-x-UCX_821L1gkj24Grs60Dzb1k1qxzrpW7-V2NqPxlyggu0KC7_qJ9WbCKF4$ <;!!DZ3fjg!_Smi_GO9iIoMAHK73bE5TSUktUknqJF5ZWUlm2AuiG86wMOY9XyvajOjaiJo7eagwu1hkYz0Kx81iDekHToB1uCYDp0gRPqZOWZ4grU$>

Does anyone have any insight on how to fix/avoid this ?

Many thanks.

Kind regards,


[;!!DZ3fjg!4UlrX0xoO7_XJTcIxZpWDb3HsrDDSb-x-UCX_821L1gkj24Grs60Dzb1k1qxzrpW7-V2NqPxlyggu0KC7_qJ43tcQ7k$ ]
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