VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Sat Oct 22 2005 - 17:35:21 CDT

Dear Rob,
VMD version 1.8.3 shipped before the autopsf GUI was completed, and a
good deal of other work has gone into it since then as well. If you're
interested in using it now I would recommend trying the test version of
VMD (1.8.4a22), which can be dowloaded from
http://www.ks.uiuc.edu/Development/Download/download.cgi. Alternatively,
I can send you updated files for autopsf alone if you prefer, although
this option is more complicated.
Peter
rob zehr wrote:

> Hello,
> I am having trouble getting autopsf to work. I would like generate a
> psf file from a pdb file of rather simple small molecule. I recently
> installed VMD version 1.8.3 with all plugins.
>
> My Problems:
> (1) I cannot find the gui version of autopsf? (..but I can load and
> run the TkCon version.)
>
> (2) I get the same error on both my linux and windows machine:
> expected integer but got "none"Not valid molecule id none in
> atomselect's 'molId'
> What does this mean? How do I fix it?
>
> Any help on the matter would be greatly appreciated.
>
> Rob
> ___
> rhzehr_at_hotmail.com
>