APPENDIX G - Error codes

This is the list of the error codes that can be reported by VEGA and VEGA ZZ


Error code Description
11 Abort
12 LocaleLib error
13 No command
44 Out of memory
45 Java not installed



51 Bzip2 error
52 Can't pack the file
53 DOS I/O error
54 Gzip error
55 Stdout not allowed
56 No stdout with packed output
57 PowerPacker error
58 PowerPacker comp. AmigaOS only
59 PowerPacker.library not found
60 File too short
61 Unknown compressor
62 Set the environment variable
63 xPK error
64 Z32 error
65 Can't download the file
66 Can't initialize the HTTP client
67 Can't parse the URL
101 Unknown command
102 Too many arguments
103 Too few arguments
104 Illegal type of argument
105 Value exceed the legal range
106 Unknown keyword in argument
201 Command not already implemented
202 Command for OpenGL only
203 No molecule
204 No surface present
205 No trajectory

Command line


301 Total number of atoms exceeded
302 Duplicate description
303 Illegal atom number
304 Illegal number of atoms in measure
305 Incorrect atom description
306 It don't match the input file
307 Description with multiple match
308 Too few atoms to measure
309 Atom description too long
310 Unknown measure mode
311 Invalid frame number
312 First frame exceeds the total
313 Last frame exceeds the total
314 Missing first frame
315 Invalid range of frames
316 Invalid number of CPUs
317 -m option and trajectory format can't be used at the same time
318 Unknown keyword for InfoXML file format
319 Unknown keyword for C-term capping
320 Unknown keyword for N-term capping


Load and save operations


401 Biosym subformat not supported
402 Field type not specified
403 Sybyl rgn file not loaded
404 Unacceptable bond order
405 Unknown VDW radius
406 No associated molecule file
407 Type of measure not specified
408 CSSR/QMC format: there are more than 9999 atoms
409 Input file isn't protein or DNA
410 Corrupted IFF file
411 Invalid IFF file
412 Not an IFF XXXX file
413 Corrupted or incoplete Mol2
414 Can't find TRIPOS template
415 Illegal TRIPOS template
416 The file isn't in MSF format
417 The MSF file isn't compatible
418 Faulty atom
419 Bad cartesian to internal conv.
420 The format don't support charge
421 The format don't support ff tag
422 Input file not found
423 Corrupted rgn file
424 Region file without a molecule
425 Illegal number of steps in rgn
426 Illegal number of points in rgn
427 Illegal step size in rgn file
428 Unknown input format
429 Unknown output format
430 No molecule loaded
431 Unable to read the IFF file
432 Unable to write the IFF file
433 Unknown mol type to add hydrog.
434 Nothin to calculate
435 Unknown remove hydrogen method
436 Unknown torsion method
437 Unknown database extr. mode
438 Invalid record number
439 Record not found
440 Too many databases
441 Invalid SQL code
442 Unsupported 2D file format
443 Unable to open the molecule beacuse the workspace is locked
444 Spillo missing ligand



455 Merge not allowed
456 Incompatible molecules



461 With a trajectory only
462 Point out of range



471 Can't open shell file
472 Nothing to add
473 Molecule exceeds the shell dim.


Trajectory analysis


481 Incorrect selection
482 Unassigned atomic charges
483 Unknown trajectory file
484 Unsupported output
485 No molecule loaded
486 Energy graph can't be showed
487 Output file not specified
488 Surface not permitted
489 Trajectory not permitted
490 Incompatible molecules
491 Same trajectory file
492 Invalid handle
493 The number of atoms doesn't match the trajectory.
494 Corrupted AutoDock output.



501 Atomic charges not assigned
502 Atom name too long in temp.
503 Missing atom name in temp.
504 Invalid number of bonds in temp.
505 Missing number of bonds in temp.
506 A macro/residue can't call its.
507 Unable to delete atom in temp.
508 #Description duplicated in temp.
509 Decription too long in temp.
510 Unknown format of charge temp.
511 Invalid group ID in temp.
512 Missing group ID in temp.
513 Duplicated ID in temp.
514 ID too long in temp.
515 Missing ID in temp.
516 Non-unique ID in temp.
517 Unknown ID in temp.
518 #ResName expected in temp.
519 Residue name too long in temp.
520 Missing residue name in temp.


Force field


550 Atom type too long
551 Can't assign potential
552 Illegal number of arguments
553 Incorrect atom description
554 Incorrect subatom description
555 Template file not found
556 Template not in standard format
557 Sublevel overflow
558 Unbalenced parenthesis
559 Illegal aromaticity
560 Illegal bond order
561 Illegal ring size
562 Invalid element
563 Invalid operator
564 Multiple operators
565 Operator required
566 Invalid SMARTS file
567 Invalid SMARTS string



601 Force field not assigned
602 Non-bond parameters not found
603 Can't open template
604 More than one residue is needed
605 Residue not found
606 Unknown atom type
607 Not all atoms are parametrized
608 Parameters not found
609 Unrecognized parameter file
610 No Virtual logP calculation
611 A water cluster required
612 Too many cell copies

Command line options


701 Can't find the charge template
702 Unknown color
703 Missing input file name
704 Argument must be unsigned float
705 Illegal dielectric constant
706 Illegal probe radius
707 Illegal residue name
708 Illegal SAS density
709 Illegal solvatation radius
710 Illegal starting residue
711 Argument must be an unsigned int
712 Invalid port number
713 VEGA OpenGL already running
714 Invalid surface number
715 Missing sub-argument
716 Unknown option
717 Unknown shape type
718 Shell file not found
719 Unsupported charge template
720 Option available only in Win32
721 Calculation already running
722 Unknown bond fix method
723 Invalid molecule ID
724 Invalid segment ID



801 Unable to save the buffer

Secondary structure


811 The molecule isn't a protein
812 No valid torsions
813 Invalid torsion name

OpenGL initialization


1001 Can't activate the GL context
1002 Can't create GL device context
1003 Can't create GL rend. context
1004 OpenGL initialization failed
1005 Can't find suitable pixelformat
1006 Can't set the pixel format
1007 Failed to register window class
1008 Window creation error
1009 Can't allocate the pixel buffer
1010 Unable to load the extension
1011 OpenGL extensions not supported
1012 No pixel format ARB
1013 Pixel buffer not available
1014 Unknown problem

OpenGL generic


1101 Unknown color
1102 DevIL error
1103 Fmod error
1104 Can't execute
1105 Can't open help file
1106 Demo files not installed
1107 Gl2Vrml error



1201 Can't find Mopac executable
1202 Abnormal termination
1203 Too many atoms



1301 Missing argument
1302 Missing BEGIN command
1303 The value must be lower than 1
1304 Command duplicated
1305 Invalid selection of frames
1306 Missing selection of frames
1307 Field already closed in macro
1308 Field required
1309 Field not closed in macro
1310 Field not opened in macro
1311 Field already opened in macro
1312 Missing command
1313 Unknown module
1314 Null string not allowed
1315 Boolean value required
1316 Float number required
1317 Illegal number of frames (> 1)
1318 The value can't be zero
1319 Integer number required
1320 Positive integer required
1321 The rotation ranges must be +
1322 The input file exceeds 65535 l.
1323 The trans. ranges must be +
1324 Unknown command
1325 Unknown extraction mode
1326 Unknown optimization method
1327 Unterminated string
1328 Can't find BioDock executable
1329 Can't open BioDock input file
1330 Unrecognized BioDock output
1331 BioDock output corrupted

OpenGL measure


1401 Multiple selection
1402 Atom not found

OpenGL selection


1501 The selection doesn't match
1502 Illegal number of arguments
1503 Unknown tag

OpenGL SkyBox
1511 The texture aspect ratio must be 2:1
1512 The pixel format of the image must be RGB
1513 Can't buid the face bitmaps
1514 Can't initialize the context to process the textures

ESCHER Next Generation


1601 Corrupted ESCHER file
1602 Illegal number of solutions
1603 Unknown format



1611 Invalid number of poses in GRAMM output
1612 Invalid atom range of GRAMM ligand
1613 Atom selection of the GRAMM ligand not found

Graph Editor


1701 Illegal GraphEd ID
1702 No GraphEd window opened
1703 No data in plot
1704 Point out of range
1705 Exel export
1706 Excel too many records
1707 OLE initialization


Database engine


1801 Can't create the database
1802 Invalid database handle
1803 Unable to get the molecule
1804 Unable to read the molecule catalogue
1805 Database already opened
1806 Unable to put the molecule
1807 Unable to remove the molecule
1808 Unable to rename the molecule
1809 The database doesn't support SQL commands
1810 Unknown database format
1811 Unable to update the molecule
1812 The zip32.dll can't be initialized
1813 Unknown format of .dat file
1814 Unable to connect to ODBC database
1815 Unable to allocate the ODBC handle
1816 Unable to check the ODBC version
1817 Unable to open the SQLite database
1818 Unable to set the SQLite parameters
1819 Unable to attach SQLite structure database
1820 Missing control data in SQLite database
1821 Unable to open the Zip archive
1822 Unable to update the data
1823 Can't add the column
1824 Can't update the columns
1825 The number of lines don't match the number of molecules in the database
1826 Incompatible number of columns
1827 Unsupported data type
1828 Incompatible data type
1829 Nothing to paste
1830 Can't delete the column
1831 Can't rename the column

Database reports


1851 Unable to find the report header
1852 Unable to load the report template
1853 Missing end of section
1854 Token error
1855 Unable to find the report tail


Energy engine


1901 Unknown parameter key



2001 Ammp communication lost
2002 Unable to connect to host
2003 Unable to send data to Ammp
2004 Can't find the Ammp executable
2005 Host already in use
2006 No free host available
2007 Unable to send the molecule
2008 Unable to initialize pipe
2009 Can't load the SP4 parameters
2010 Can't assign the force field
2011 Can't open the force field
2012 One or more atoms have an undefined atom type



2101 Parsing aborted
2102 Parsing error
2103 Unable to create the parser
2104 Unable to allocate the stack




2111 InChI library internal error
2112 InChI library error



2121 Cano library error



2131 Dingo library error

2141 Invalid IUPAC name
2142 OPSIN not installed
2143 Can't run OPSIN



2201 Unable to read the remote coordinates
2202 Ascertain relative endianness of remote host
2203 Unable to read the energies
2204 NAMD input load error
2205 Unable to create mutex
2206 fullElectFrequency isn't stepspercycle factor
2207 NAMD not installed
2208 pailistdist < cutoff
2209 Unable to open the parameter file
2210 PMEGridSizeX must be factor of 2, 3, 5
2211 PMEGridSizeY must be factor of 2, 3, 5
2212 PMEGridSizeZ must be factor of 2, 3, 5
2213 Unable to read indices and forces
2214 Unable to send indices and forces
2215 switchdist < cutoff
2216 Unable to find a free TCP/IP port

Isotopic distribution


2301 Invalid element in formula
2302 Invalid formula
2303 Invalid character in formula
2304 Invalid index in formula
2305 The table of isotopes is empty
2306 The table of isotopes with an invalid mass
2307 File of isotopes not found
2308 File of isotopes in unknown format

Interaction energy (score)


2401 Score function not selected
2402 Unknown interaction energy type
2403 Invalid ligand number
2404 Unable to assign the parameters
2405 At least two molecules are required
2406 Can't assign the potential



2501 Parameters not available for the specified potential

Windows errors


3001 Windows error
3002 Can't get the function address
3003 Can't open the DLL
3004 Windows MCI error



3101 Add frame error
3102 Create AVI file error
3103 Compression settings
3104 Incompatible width
3105 Incompatible height



3201 VglBeginGroup expected
3202 Invalid group ID
3203 Matrix stack out of bounds
3204 Primitive already initialized
3205 Too many groups



3301 Can't create a new uno level
3302 Internal error



3501 Update already running.
3502 Internet connection not available
3503 Corrupted update file
3504 Corrupted package list
3505 Unable to download update data
3506 Unable to create the download directory
3507 Unable to download the update file
3508 Run.exe not found
3509 Unable to save the update script
3510 Unable to start the update script
3511 Invalid update URL
3512 Missing update URL in configuration file

3601 Unable to initialize the OpenVR context.

DNA build
3701 Invalid DNA/RNA sequence



8001 License expired
8002 Invalid CRC
8003 Invalid host
8004 Invalid signature
8005 Invalid chunk size
8006 Not in requested file format
8007 Invalid file size
8008 Invalid encryption
8009 Not in IFF file format
8010 Unable to read the license
8011 Unknown license error
8012 Live license



9000 Unknown error