From: Him Bandhu Upadhyay (him.upadhyay_at_my.ndsu.edu)
Date: Thu Oct 18 2012 - 21:53:45 CDT

hi everyone,
I have got an application error message during dihedral optimization using FFTK plugin in VMD. I will be very thankful if anyone help me in this matter. Here is the error log message:
----------------------------------------------------------------------------
missing operator at _@_
in expression "2/6-31_@_g(d)\PY - 1"
missing operator at _@_
in expression "2/6-31_@_g(d)\PY - 1"
    (parsing expression "2/6-31g(d)\PY - 1")
    invoked from within
"expr $ind - 1"
    ("foreach" body line 2)
    invoked from within
"foreach ind [split [string range $scanDihDef 2 [expr [string length $scanDihDef] - 2]] ","] {
                       lappend scanDihInds [expr $ind - ..."
    ("Initial Parameters" arm line 10)
    invoked from within
"switch -regexp $inline {
                {Initial Parameters} {
                    # keep reading until finding the dihedral being scanned
          ..."
    (procedure "::ForceFieldToolKit::DihOpt::parseGlog" line 56)
    invoked from within
"::ForceFieldToolKit::DihOpt::parseGlog $GlogFiles"
    (procedure "::ForceFieldToolKit::DihOpt::optimize" line 66)
    invoked from within
"::ForceFieldToolKit::DihOpt::optimize"
    (procedure "::ForceFieldToolKit::gui::doptRunOpt" line 62)
    invoked from within
"::ForceFieldToolKit::gui::doptRunOpt "
    invoked from within
".fftk_gui.hlf.nb.dihopt.runOpt invoke "
    invoked from within
".fftk_gui.hlf.nb.dihopt.runOpt instate {pressed !disabled} { .fftk_gui.hlf.nb.dihopt.runOpt state !pressed; .fftk_gui.hlf.nb.dihopt.runOpt invoke } "
    (command bound to event)
--------------------------------------------------------------------------

Regards

________________________________
Him Upadhyay