VMD-L Mailing List

From: Darrell Kuykendall (dkuyken2_at_uiuc.edu)
Date: Thu Sep 21 2006 - 10:55:20 CDT

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