From: Mohan maruthi sena (maruthi.sena_at_gmail.com)
Date: Sat Jun 06 2015 - 18:35:44 CDT
Hi all,
I am trying to generate parameters for a molecule using fftk. I
am currently using vmd 1.9.2 version. After performing optimization of
molecule in gaussian, I perform hessian calculations to generate bonded
parameters. When i try to generate bonded parameters, the following error
message is displayed,
. can't use empty string as operand of "/"
can't use empty string as operand of "/"
while executing
"expr {$fc/double($n*$n)}"
(procedure "assign_fc_zmat" line 37)
invoked from within
"assign_fc_zmat $inthessian_kcal"
(procedure "::QMtool::load_gaussian_log" line 56)
invoked from within
"::QMtool::load_gaussian_log $hessLog $hessLogID"
(procedure "::ForceFieldToolKit::BondAngleOpt::optimize" line 81)
invoked from within
"::ForceFieldToolKit::BondAngleOpt::optimize"
(procedure "::ForceFieldToolKit::gui::baoptRunOpt" line 40)
invoked from within
"::ForceFieldToolKit::gui::baoptRunOpt "
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
Can you please suggest me a way to overcome this error.
Thanks & Regards,
Mohan Maruthi
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