-
Notifications
You must be signed in to change notification settings - Fork 6
Description
Hello everyone,
I converted the .XYZ nanotube file to a .PDB file using VMD.
To continue working, I used atuopsf to create the PSF file.
But I encountered the following error. How can I fix this error?
"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 37)
invoked from within
"psfsegments $logfileout"
(procedure "::autopsf::afterchains_gui" line 66)
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)"