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Description
I am having a problem loading frequencies from a calculation performed with G09. The first 15 frequencies load fine, but any attempt to load a higher frequency leads to an error, as shown below. I can send the output file privately but I do not wish to upload it here.
missing operator at @
in expression "30651 _@_30691 30731 30771 3081..."
missing operator at @
in expression "30651 _@_30691 30731 30771 3081..."
(parsing expression "30651 30691 30731 3077...")
invoked from within
"expr [lindex $molUP::freqLine [lindex $where 0]] + 30"
(procedure "molUP::extractFreqVectors" line 2)
invoked from within
"molUP::extractFreqVectors $path $answer"
(procedure "molUP::selectFreq" line 17)
invoked from within
"molUP::selectFreq"
(command bound to event)
I am using molUP 1.7.1 (directly cloned and installed from this repo) and VMD 1.9.3 on Ubuntu 18.04. Thanks for any help!