VMD-L Mailing List

From: SEZEN VATANSEVER (svatansever13_at_ku.edu.tr)
Date: Wed Nov 12 2014 - 04:40:59 CST

* Dear VMD users/experts, *
* I have been trying to use the Force field toolkit in VMD 1.9.2 Beta
(Windows) to parameterize a new molecule. **In the "Opt.Bonded" tab, when I
tried to Run Optimisation, I got the ** I got the following error message: *

*"can't use empty string as operand of "*"can't use empty string as operand
of "*" while executing"expr {($kc)*$h1up*$h2up}" (procedure
"::ForceFieldToolKit::BondAngleOpt::computePESqm" line 197) invoked from
within"::ForceFieldToolKit::BondAngleOpt::computePESqm $hessLogID"
(procedure "::ForceFieldToolKit::BondAngleOpt::optimize" line 93)
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...." (command bound to event)"I found a
solution offer from there:
 http://guido.vonrudorff.de/force-field-toolkit-empty-string-during-bonded-optimization/
<http://guido.vonrudorff.de/force-field-toolkit-empty-string-during-bonded-optimization/>But
it didn't help me. Is there any way to solve this problem? *