VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 19 2015 - 09:28:51 CDT

Hmm. Okay, next question. If you disable the loading of the PME plugin
in your VMD installation, does the problem go away completely, or do you
still see any other warnings/errors? You can disable it by editing some
files in your install directory:
  vmd/scripts/vmd/loadplugins.tcl

Edit that file and locate this line:
  vmd_install_extension pmepot_gui pmepot_gui "Analysis/PME Electrostatics" pmepot

Change that line and add a hash # symbol to comment out the line:
# vmd_install_extension pmepot_gui pmepot_gui "Analysis/PME Electrostatics" pmepot

Once that's done, try loading VMD again and see if you still get any errors
or if it runs fine....

If that cures the problem, then I would like to dig further into what might
be happening there.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Jun 19, 2015 at 07:53:27PM +0530, Rohit Goswami wrote:
> Same error in vmd. locale now produces (as expected)
>
> LANG=en_US.UTF-8
> LC_CTYPE="C"
> LC_NUMERIC="C"
> LC_TIME="C"
> LC_COLLATE="C"
> LC_MONETARY="C"
> LC_MESSAGES="C"
> LC_PAPER="C"
> LC_NAME="C"
> LC_ADDRESS="C"
> LC_TELEPHONE="C"
> LC_MEASUREMENT="C"
> LC_IDENTIFICATION="C"
> LC_ALL=C
>
> 19.06.2015, 19:51, "John Stone" <johns_at_ks.uiuc.edu>:
> > What happens if you use "C" for LC_ALL?
> >
> > Cheers,
> >   John Stone
> >   vmd_at_ks.uiuc.edu
> >
> > On Fri, Jun 19, 2015 at 07:38:50PM +0530, Rohit Goswami wrote:
> >>  Well, the error pops up on start-up without anything being run...
> >>  The locale isn't set explicitly, but the LANG variable is set to en_US.UTF-8
> >>  What should the locale be set as?
> >>  On the terminal locale returns the following
> >>  LANG=en_US.UTF-8
> >>  LC_CTYPE=en_US.UTF-8
> >>  LC_NUMERIC="en_US.UTF-8"
> >>  LC_TIME="en_US.UTF-8"
> >>  LC_COLLATE="en_US.UTF-8"
> >>  LC_MONETARY="en_US.UTF-8"
> >>  LC_MESSAGES="en_US.UTF-8"
> >>  LC_PAPER="en_US.UTF-8"
> >>  LC_NAME="en_US.UTF-8"
> >>  LC_ADDRESS="en_US.UTF-8"
> >>  LC_TELEPHONE="en_US.UTF-8"
> >>  LC_MEASUREMENT="en_US.UTF-8"
> >>  LC_IDENTIFICATION="en_US.UTF-8"
> >>  LC_ALL=
> >>
> >>  Exporting LC_ALL="en_US.UTF-8" doesn't fix the problem either.
> >>  Thanks
> >>
> >>  19.06.2015, 19:12, "John Stone" <johns_at_ks.uiuc.edu>:
> >>  > Hi,
> >>  >   I searched the code for that error, and it appears to be coming from
> >>  > the PME potential GUI plugin. I'm wondering if you have your LOCALE
> >>  > set to something unusual that is causing problems for that code?
> >>  >
> >>  > Does this error arise during VMD startup, or after you do something
> >>  > specific in the program?
> >>  >
> >>  > Cheers,
> >>  >   John Stone
> >>  >   vmd_at_ks.uiuc.edu
> >>  >
> >>  > On Fri, Jun 19, 2015 at 04:06:35PM +0530, Rohit Goswami wrote:
> >>  >>  On every vmd start, I'm getting this persistent error, inspite of not using the PME electrostatics functions at all. I'm running an archlinux 64-bit machine with vmd 1.9.2
> >>  >>
> >>  >>  PME Electrostatics Error
> >>  >>
> >>  >>  Error updating the cell information:
> >>  >>  missing operand at _@_
> >>  >>  in expression ".... + 10.*0. + 0.*10. + _@_*"
> >>  >
> >>  > --
> >>  > NIH Center for Macromolecular Modeling and Bioinformatics
> >>  > Beckman Institute for Advanced Science and Technology
> >>  > University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> >>  > http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> >>  > http://www.ks.uiuc.edu/Research/vmd/
> >
> > --
> > NIH Center for Macromolecular Modeling and Bioinformatics
> > Beckman Institute for Advanced Science and Technology
> > University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> > http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> > http://www.ks.uiuc.edu/Research/vmd/ 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/