VMD-L Mailing List

From: Lokendra Poudel (poudel_2039_at_tamu.edu)
Date: Tue Oct 13 2020 - 15:04:44 CDT

Hi John,

I just found a bug at
/usr/local/lib/vmd/plugins/noarch/tcl/fftk1.3/fftk_QMGaussian.tcl line 79
and 121 { $inLine eq "Input orientation:" } . This should be { $inLine eq
"Standard orientation:" } according to gaussian log file. After changing
"Input orientation" to "Standard orientation" my gaussian log file reading
fully by ffTK. please check it.

Best
Lokendra Poudel, PhD

On Tue, Oct 13, 2020 at 2:25 PM John Stone <johns_at_ks.uiuc.edu> wrote:

> Hi,
> I've just posted a newer VMD 1.9.4a47 build of VMD for Linux last night--000000000000b0a4d605b192ed0a--