From: Nd S (navdeep79_at_gmail.com)
Date: Thu Sep 18 2008 - 22:30:05 CDT

Hi Peter

Actually the error I mentioned occurs at the end and the pdb and the psf
files are not generated.

 So to explain it all, I have "Alcohol_autopsf-temp.pdb.",
"Alcohol_autopsf-temp.xbgf", "Alcohol_autopsf-temp.top" and a log file in my
directory (apart from the input files) , the following messages at the
console,

info) Finished with coordinate file /home/Alcohol.pdb.
Info) Opened coordinate file Alcohol_autopsf-temp.pdb for writing.
Info) Opened coordinate file Alcohol_autopsf-temp.xbgf for writing.
Info) Finished with coordinate file Alcohol_autopsf-temp.pdb.
Info) Finished with coordinate file Alcohol_autopsf-temp.xbgf.

The following pop-up error message appears before the generation of the
files:

ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.
    while executing
"segment $segid {
      pdb $segfile

      # We alias the C-terminal OXT atoms to OT2 so that psfgen has to guess
one atom less.
      # Otherwise psf..."
    (procedure "psfsegments" line 29)
    invoked from within
"psfsegments $logfileout"
    (procedure "::autopsf::afterchains_gui" line 50)
    invoked from within
"::autopsf::afterchains_gui"
    invoked from within
".autopsf.chains.finish invoke"
    ("uplevel" body line 1)
    invoked from within
"uplevel #0 [list $w invoke]"
    (procedure "tk::ButtonUp" line 22)
    invoked from within
"tk::ButtonUp .autopsf.chains.finish
"
    (command bound to event)

I hope I am able to explain.

Thanks
Navdeep