VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Jan 30 2011 - 05:53:54 CST

On Sun, Jan 30, 2011 at 4:31 AM, mohamad rahimi <rahimi992_at_yahoo.com> wrote:
> Dear all
>
> I just start to work with CG Builder. I tried coarse graining water molecule
> and used relationship given in cg-tools (water.cgc). I always received this
> warning " No PSF file loaded" and after accept it I received this error.

the code already told you, that it most likely won't work
without topology information (as provided by a PSF file),
so why are you surprised that it fails?

axel.

> Unable to load file 'cg_water.pdb' using file type 'pdb'.
> Unable to load file 'cg_water.pdb' using file type 'pdb'.
>     while executing
> "mol new "$::cggui::toCGoutpdbfile""
>     (procedure "::cggui::buildResidueCGExecute" line 45)
>     invoked from within
> "::cggui::buildResidueCGExecute"
>     invoked from within
> ".cggui.toCGResidueFrame.applyDB invoke"
>     ("uplevel" body line 1)
>     invoked from within
> "uplevel #0 [list $w invoke]"
>     (procedure "tk::ButtonUp" line 22)
>     invoked from within
> "tk::ButtonUp .cggui.toCGResidueFrame.applyDB"
>     (command bound to event)
>
> can anybody help me?
>
> Thanks
> Mohammad
>
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.