VMD-L Mailing List

From: Mohan maruthi sena (maruthi.sena_at_gmail.com)
Date: Mon Sep 30 2013 - 01:40:41 CDT

Hello Sir,
                I am trying to find parameters for organic molecule
ciprofloxacin using force field tool kit. In the sixth step after
calculating hessian , Loading the hessian log files, psf,optimized pdb and
running calculation gives me the following error:

*missing close-bracket*
missing close-bracket
    while executing
"set pos [lsearch $zmatIndList [lreverse $indDef] "
    invoked from within
"if { $pos < 0 } { set pos [lsearch $zmatIndList [lreverse $indDef] }"
    (procedure "::ForceFieldToolKit::BondAngleOpt::optimize" line 224)
    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 could not understand why this error arises, Please suggest me a way.

Thanks & regards,
Mohan