VMD-L Mailing List

From: Roshan Shrestha (roshanpra_at_gmail.com)
Date: Sat May 07 2016 - 09:43:03 CDT

Hi,

    I am newbie in VMD and NAMD. Since I am finding it a bit difficult to
use Automatic psf builder, I am instead using scripting at TK console to
prepare psf for my pdb. I took a small protein BPTI (6pti.pdb) and trying
to create psf for this protein. When I typed segment BPTI {pdb 6pti.pdb}
after topology top_all22_prot.inp, I ran into the error
Info: generating structure...psfgen) unknown residue type PO4
failed!
ERROR: failed on end of segment
MOLECULE DESTROYED BY FATAL ERROR!

What the reason behind this error and how can I overcome it? Thanks