VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Nov 24 2011 - 14:46:47 CST

On Thu, Nov 24, 2011 at 2:13 PM, mail gromacs <mailmd2011_at_gmail.com> wrote:
> Hi:
>  I am using VMD to generate POPE lipids with CHARMM36 FF. but it doesn't
> work:

this is a known problem. please search the mailing archives for the resolution.
axel.

>
>
> ERROR: Unable to open psf file
> /soft/vmd-1.9/lib/vmd/plugins/noarch/tcl/membrane1.1/pope36_box.psf
> MOLECULE DESTROYED BY FATAL ERROR!  Use resetpsf to start over.
> ERROR: Unable to open psf file
> /soft/vmd-1.9/lib/vmd/plugins/noarch/tcl/membrane1.1/pope36_box.psf
> MOLECULE DESTROYED BY FATAL ERROR!  Use resetpsf to start over.
>     while executing
> "readpsf $psffile"
>     (procedure "membrane_core" line 81)
>     invoked from within
> "membrane_core -l "$uselipid" -x "$xdim" -y "$ydim" -o "$prefix" -top
> "$useTop""
>     (in namespace inscope "::Membrane" script line 4)
>     invoked from within
> "::namespace inscope ::Membrane {
>         puts "membrane_core -l $uselipid -x $xdim -y $ydim -o $prefix -top
> $useTop"
> #        membrane_core -l POPC -x..."
>     invoked from within
> ".membrane.gobutton invoke"
>     ("uplevel" body line 1)
>     invoked from within
> "uplevel #0 [list $w invoke]"
>     (procedure "tk::ButtonUp" line 22)
>     invoked from within
> "tk::ButtonUp .membrane.gobutton"
>     (command bound to event)
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.