From: Jan Saam (
Date: Thu Sep 21 2006 - 17:21:29 CDT

Did you try it with the new files I sent?
Please check that first, the version that comes with VMD-1.8.5 has a
couple of known bugs. Your plroblem might be related to that.

If it's still not working please send me all your files, then I'll try it
on my machine and fix possible bugs in Paratool.


Jan Saam
Institute of Biochemistry
Charite Berlin
Monbijoustr. 2
10117 Berlin

+49 30 450-528-446

> Thanks for your quick responses...
> I'm basically following the Paratool User's Guide to learn my way
> around...using VMD 1.8.5 on a WinXP machine.
> I load my base molecule (a naphthyridine derivative), the saved
> project (which has all of the previously entered atom properties,
> etc.), and the QM geo opt log file generated by GW03. At this point,
> everything works great. When I select "File->Setup-> QM single point
> calc. (Hessian, charges)", in the terminal window I see that VMD
> aliases all atoms and then I get the "Unmatched open brace in list"
> message.
> Thanks again!
> DK