VMD-L Mailing List

From: sarah k (dailycolors_at_gmail.com)
Date: Tue Nov 10 2009 - 23:27:33 CST

Hi. The psf files of my project couldn't be created because the parameter
files weren't perfect for them. I used paratool to parameterize some
components following the online userguide. When it was over and I chose
rerun psfgen in paratool, it said:

Unable to open topology file. MOLECULE DESTRYED BY FATAL ERROR.

I compared the prepared topology file with other files created by dear Dr.
Alexander Mackerell. The only points were these 2: 1- ATOM ? HC (the
question mark) 2- there was nothing under PATCHING FIRS NONE …

How can I fix it? I'll go on working on it but I'm in a hurry. Thanks.

Enjoy life,

                Sarah