VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Mar 11 2011 - 08:14:02 CST

On Fri, 2011-03-11 at 04:10 -0800, hanif mahboobi wrote:

thanks for this very useful report.

those bugs are now fixed in the development cvs and
john will have to build new release candidates again. ;-)

cheers,
   axel.

> Dear VMD Developers
>
> It seems that these 2 bugs are in VMD 1.9 beta3 (win32 version):
>
> 1) In membrane builder the charmm36 parametrization is not reachable:
>
> ERROR: Unable to open topology file C:/Program
> Files/VMD/plugins/noarch/tcl/readcharmmtop1.0/top_all36_lipid.rtf
>
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
> ERROR: Unable to open topology file C:/Program
> Files/VMD/plugins/noarch/tcl/readcharmmtop1.0/top_all36_lipid.rtf
>
> MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
> while executing
> "topology $topfile"
> (procedure "membrane_core" line 78)
> invoked from within
> "membrane_core -l "$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 24)
> invoked from within
> "tk::ButtonUp .membrane.gobutton"
> (command bound to event)
>
> 2) In building graphene, all of the built structures are single layer
> regardless of specified layer counts.
>
> Regards,
>
> S H Mahboobi
>
>
>
> 

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