VMD-L Mailing List

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Thu Feb 15 2007 - 07:44:18 CST

Hi all,

I'm trying to create psf & pdb files for a molecule using the autopsf
(I don't have any other option, the whole molecule is formed by at
least 300 segments). I'm using the command line to achieve it. When I
type the following:

autopsf -mol 0 -top

I get this:

Info: generating structure...
unknown patch type NTER
ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.

And the program crashes.Then I tried to do this (after "resetpsf"):

autopsf -mol 0 -top -noterm

and I get exactly the same error. I'm using VMD 1.8.5 under Fedora
core 4. Do you have any ideas on how to solve this problem?

Thanks!
Michel