From: Moumita Saharay (saharaymou_at_gmail.com)
Date: Wed Jul 30 2014 - 06:06:53 CDT

Please read the LOG file generated by VMD.
It clearly says that " Could not read file 2PLP_autopsf_tmpfile.psf"
You did not supply the .psf file or did not mention the path.

Moumita

On Wed, Jul 30, 2014 at 3:42 PM, Kukol, Andreas <a.kukol_at_herts.ac.uk> wrote:
> Hello,
>
> Using AutoPSF on a simple protein I get the following error:
>
> Unable to load structure file 2PLP_autopsf_tmpfile.psf
> Unable to load structure file 2PLP_autopsf_tmpfile.psf
> while executing
> "mol load psf ${basename}_tmpfile.psf pdb ${basename}_tmpfile.pdb"
> (procedure "checkparams" line 4)
> invoked from within
> "checkparams"
> (procedure "::autopsf::makepatches_gui" line 62)
> invoked from within
> "::autopsf::makepatches_gui"
> invoked from within
> ".autopsf.patches.finish invoke"
> ("uplevel" body line 1)
> invoked from within
> "uplevel #0 [list $w invoke]"
> (procedure "tk::ButtonUp" line 24)
> invoked from within
> "tk::ButtonUp .autopsf.patches.finish"
> (command bound to event)
>
> The vmd console displays the following:
>
> Welcome to AUTOPSF!
> The automatic structure builder.
> Opening http://www.ks.uiuc.edu/Research/vmd/plugins/autopsf ...
> WORKING ON: 0
> psfgen) clearing structure, preserving topology and aliases
> WORKING ON: 0
> pfrag: 0 ofrag: 0 allfrag: 1 osel: protein or nucleic nfrag: 0
> Info) Opened coordinate file 2PLP_autopsf-temp.pdb for writing.
> Info) Finished with coordinate file 2PLP_autopsf-temp.pdb.
> Reading PDB CONECT records...
> Info) Opened coordinate file 2PLP_autopsf-temp.xbgf for writing.
> Info) Finished with coordinate file 2PLP_autopsf-temp.xbgf.
> Segment 1: Starting with resid 7, file 2PLP_autopsf-temp.pdb_P1.pdb
> 0
> psfgen) Info: guessing coordinates for 0 atoms (0 non-hydrogen)
> psfgen) Info: writing psf file 2PLP_autopsf_tmpfile.psf
> psfgen) total of 0 atoms
> psfgen) total of 0 bonds
> psfgen) total of 0 angles
> psfgen) total of 0 dihedrals
> psfgen) total of 0 impropers
> psfgen) total of 0 cross-terms
> psfgen) Info: psf file complete.
> psfgen) Info: writing pdb file 2PLP_autopsf_tmpfile.pdb
> psfgen) Info: pdb file complete.
> ERROR) Could not read file 2PLP_autopsf_tmpfile.psf
>
> Upon searching for the file I found it here:
> C:\Users\lfsqak\AppData\Local\VirtualStore\Program Files (x86)\University of Illinois\VMD\2PLP_autopsf-temp.pdb
>
> I am using VMD 1.9.1 on Windows 7.
>
> I would be grateful for any help.
> Many thanks
> Andreas
>