marge.tcl issue

[debanjansen48]

vmd marge structure and marge.tcl script unable to combine protein ligand pdb and psf structure. charmm gui was ued to generate lig psf and pdb.

(namd) 7 % source marge.tcl
psfgen) clearing structure, preserving topology and aliases
psfgen) reading structure from psf file protein_autopsf.psf
psfgen) duplicate topology file protein_autopsf-temp.top
psfgen) reading structure from psf file LIG.psf
psfgen) error reading atoms from psf file

MOLECULE DESTROYED BY FATAL ERROR! Use resetpsf to start over.

vmd > PSF file is in CHARMM format; XPLOR format required.
psfplugin) Detected a Charmm PSF file
Info) Using plugin psf for structure file /MD/1/namd/protein_autopsf.psf
Info) Analyzing structure ...
Info) Atoms: 3899
Info) Bonds: 3937
Info) Angles: 7145 Dihedrals: 10432 Impropers: 671 Cross-terms: 242
Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0
Info) Residues: 244
Info) Waters: 0
Info) Segments: 1
Info) Fragments: 1 Protein: 1 Nucleic: 0
Info) Using plugin pdb for coordinates from file //MD/1/namd/protein_autopsf.pdb
Info) Finished with coordinate file /MD/1/namd/protein_autopsf.pdb.
ERROR) Could not read file /MD/1/LIG
psfplugin) Detected a Charmm PSF file
Info) Using plugin psf for structure file //MD/1/LIG/LIG.psf
psfplugin) no cross-terms defined in PSF file.
Info) Analyzing structure ...
Info) Atoms: 45
Info) Bonds: 46
Info) Angles: 86 Dihedrals: 123 Impropers: 28 Cross-terms: 0
Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0
Info) Residues: 1
Info) Waters: 0
Info) Segments: 1
Info) Fragments: 1 Protein: 0 Nucleic: 0
Info) Using plugin pdb for coordinates from file /MD/1/LIG/LIG.pdb
Info) Finished with coordinate file /MD/1/LIG/LIG.pdb.
PSF file is in CHARMM format; XPLOR format required.