VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Sun Sep 09 2018 - 10:52:30 CDT

Did you actually click the load button?

Best,
JC

> On Sep 7, 2018, at 3:08 PM, RABIUL ISLAM <rblam65_at_gmail.com> wrote:
>
> Yes sir. Already I have uploaded the psf file.e Ben though I got this
> massage.
>
> On Sat, 8 Sep 2018, 12:02 am Vermaas, Joshua, <Joshua.Vermaas_at_nrel.gov>
> wrote:
>
>> Super simple question: did you load a psf file? That is what the error
>> message is asking for.
>>
>> -Josh
>>
>>
>>
>> On 2018-09-07 12:31:43-06:00 owner-vmd-l_at_ks.uiuc.edu wrote:
>>
>> Hi all,
>> I am parameterizing an acrylic acid molecule using the VMD fftk plugin.
>> During dihedral optimization "scan torsions" window, when I load the
>> gaussian log files, the following error is produced.
>>
>> can't read "::ForceFieldToolKit::GenDihScan::psf": no such variable
>> can't read "::ForceFieldToolKit::GenDihScan::psf": no such variable
>> while executing
>> "if { [llength $glogs] == 0 } {
>> unset glogs
>> return
>> } elseif { $::ForceFieldToolKit::GenDihScan::psf eq "" |.."
>> invoked from within
>> ".fftk_gui.hlf.nb.genDihScan.generate.load invoke "
>> invoked from within
>> ".fftk_gui.hlf.nb.genDihScan.generate.load instate {pressed !disabled} {