VMD-L Mailing List

From: Jacob Poehlsgaard (mail_lists_at_hardcoil.net)
Date: Tue Aug 21 2007 - 06:18:40 CDT

Jan Saam wrote:

> I wonder if actually ever anybody other than me was able to do some
> thing useful with Paratool. My assumption is that everybody who tried it
> got stuck at one or the other point and gave up.

  That's where I'm at currently. One thing that would REALLY help me
would be a short example of running a small molecule through the
process. Nothing too extensive.
  I'm currently stuck after the singlepoint calculations, and I don't
know if the next steps aren't implemented in the current version, or if
I just need to press a button I'm missing.

Jacob