[Xplor-nih] Small molecules with XPLOR-NIH

[Charles at Schwieters.org]

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Hello Tom--

> Has anyone successfully generated small molecule structures with XPLOR-NIH? I
> have topology and parameter files obtained from the Dundee PRODRG2 site
> (http://davapc1.bioch.dundee.ac.uk/programs/prodrg/), and I have a *.psf but
> it seems there is some error that prevents me from visualizing or doing
> minimizations. Any suggestions are welcome.

What error messages are you getting? Are tyou you trying to use more
than one psf from the PRODRG2 server? - that probably doesn't work so
well.

best regards--
Charles
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