#
#  steric error message file
#
#  E_BLANK
0
#
#  E_NOPARM
1  No atomic parameter file found
1  This file should be called steric.par and is searched for firstly in the
1  current directory and then in the directory defined by the environmental
1  variable STERICHOME.
1  It should contains lines with the following fields:
1      atom type name containing no spaces (eg. C for carbon)
1      van der Waals radius in Angstroms
1      covalent radius in Angstroms
1  separated by spaces only
1  All atoms will be assigned the default radius (1.0 Angstroms).
1  If you have an appropriate file you can still load it with the "file
1  load" command.
#
#  E_FORCED
2  Forced exit from steric !
#
#  E_NOMEM
3  not enough memory in heap for allocation
#
#  E_FTYPE
4  Unknown filetype.
4  Steric reads the first line of the input data file in order to
4  determine what it's type is.  Currently only three files can
4  be read:
4      command (normally with .inp extension) - first 7 characters
4           are #steric
4           This file contains normal commands as would otherwise
4           be input from the keyboard
4      steric (normally with .stc extension) - first 6 characters
4	    are STERIC
4           This file is created by steric with the save command
4      biograph (normally with .bgf extension) - first 6 characters
4	    are BIOGRF
4           This file is created by cerius2
4      alchemy (normally with .mol extension) - fields 2 4 and 6
4	    are ATOMS, BONDS, and CHARGES, (commas included).
4           This file is created by alchemy
#
#  E_LOAD
5  Error loading atomic data file
#
#  E_NOATOM
6  No atoms found in file
#
#  E_NOBOND
7  No bonds found in file
#
#  E_NOTITL
8  No title found in file
#
#  E_BDATOM
9  Bad atom line(s) found
#
#  E_IMBOND
10 Impossible bond attempted
#
#  E_ATMNUM
11 Atomic count mismatch
#
#  E_BDFILE
12 Unable to open file
12 Either because the file is missing or because of incorrect
12 formatting in the file.
#
#  E_NOHELP
13 No help file found
13 This file should be called steric.hlp and is searched for firstly in the
13 current directory, and then in the directory specified by the STERICHOME
13 environment variable.
13 If it is elsewhere on the computer, copy it to the current directory.
#
#  E_?
14 ?
14 ?
#
#  E_BDBASE
15 Warning: Bad basis vectors found
15 This means that steric was unable to find good basis vectors for
15 the atoms loaded.  Some calculations are likely to be suspect.
#
#  E_BDPROJ
16 Warning: Bad projection found
16 This means that steric was unable to find a good projection for
16 the atoms loaded.  Some calculations are likely to be suspect.
#
#  E_NOCOMM
17 No commands set up
17 This means that steric has been unable to properly set up the
17 branched command structure.  The only likely reason for this is
17 a serious error in the compile/link setup.  Make sure all modules
17 required are included, and all include files are available.
#
#  E_BDCOMM
18 Bad command structure
18 The branched command structure is corrupt.  this is likely to
18 result in unpredictable events.  Rather exit and restart.
#
#  E_NOTAVL
19 Option not yet available
19 If this is an urgently required option, simply contact the
19 programmer, Craig Taverner.
#
#  E_BDHGQ
20 HGQ values greater than PI
20 are to be frowned upon (quoted from code my Michael).
#
#  E_STOBIG
21 Calculated solid angle was > 4*PI
21 It was therefore reduced to 4*PI.
#
#  E_STOSML
22 Calculated solid angle was < 0.0
22 It was therefore increased to 0.0.
#
#  E_MTOBIG
23 Maximum profile value was > total steric value
23 This should not be the case.  I recommend further investigation.
#
#  E_MTOSML
24 Maximum profile value was < 0.0
24 This should not be the case.  I recommend further investigation.
#
#  E_MTBOLD
25 This is a known error in the
25 old leach algorithm when it does not have the secondary correction
25 condition in use.  Change the settings to use this condition.
#
#  E_OPCONF
26 Conformer file cannot be opened as a
26 molecule data file simply because it contains no atom type information.
26 You must load a normal molecule data file and then use the calculate
26 conformer option to access this file.
#
#  E_NOTCNF
27 File opened is not a conformer file
27 If you wish to do the conformer average calculation, you must have an
27 ASCII conformer file with the same name as your molecule input file
27 but with a different extension.  The default extension is .trj
27 Currently only ASCII Biograph trajectory files and Biosym .car files
27 are understood.
#
#  E_CONFOP
28 Unable to open the conformer file
28 Make sure that either the conformer file has the same name as the
28 molecule data file but with the extension .trj, or enter the correct
28 filename next time.
#
#  E_CONFAT
29 Wrong number of atoms found in conformation file
29 Make sure that the right file for the right molecule is being loaded.
#
#  E_UNKNOW
30 Unrecognized name or number.
#
#  E_SVTOBG
31 Semi vertex angle calculated greater
31 than or equal to PI.
31 This means that the origin is at the surface of, or with an atom.
31 Obviously any steric results on this data will not be very meaningful.
31 I strongly advise you either move the origin, or get rid of the
31 offending atom.  View the molecule data to see which atom is too close
31 to the origin.
#
#  E_BDPARM
32 Atomic parameter table missing.
32 It should have been found in the file steric.par
#
#  E_BDBOND
33 Bad bond found in bonding table.
33 Attempt was made to define a bond between two atoms that already have
33 a bond of a different type defined.
#
#  E_OPNOUT
34 Unable to open output file.
#
#  E_SQRTNG
35 Attempt to take the square root
35 of a negative number.
35 This is usually indicative of a more serious problem
35 in the code or the data.
#
#  E_NEGSLD
36 Negative solid angle from integration
36 The integration calculation yielded a negative solid angle.  This was
36 therefore returned as 0.0
36 This is indicative of excessively large ellipse integrations.
36 If no phi range over 2Pi warning was given, then I haven't the foggiest.
#
#  E_PNOTPI
37 Total phi range for integration != 2Pi
37 This is most likely due to unexpected multiple overlap combination.
37 The best solution is see if the programmer can come up with a
37 miraculous solution to somehow take the new combination into account.
37 Although the phi ranges have now been changed,
37 do not rely on the validity of the next result.
#
#  E_BAD_G
38 Error in calculation of G
38 Despite all indications that the expected level of multiple overlap
38 occurs, the calculated G does not lie within all specified cones.
38 This combination is therefore rejected.
#
#  E_UNSING
39 Unexpected single atom solid angle
39 Single atom solid angles should not occur in overlap calculations 
39 because they all involve total overlap, and therefore should have
39 been discarded automatically before even the summing of single
39 atom solid angles.  Clearly something is seriously wrong.
#
#  E_LEVHI
40 Recursive function level too hi
40 This must be a programming error
#
#  E_BADORD
41 Wrong order of overlap passed to recursive function
41 This must be a programming error
#
#  E_BADFRK
42 Unable to fork steric
42 Probably not enough memory available
#
#  E_NOGRPS
43 No groups defined for this molecule
43 You can only work with defined groups
#
#  E_NOGRPF
44 No group definition file found
44 The file steric.grp should be in the current directory, and should
44 contain the definitions of recognized groups.
#
#  E_UNKGRP
45 Unrecognized group
45 Check that the group is properly defined in the steric.grp file.
#
#  E_NOCELL
46 No unit cell line in fractional coordinate file
46 Will default to 1.0 1.0 1.0 90.0 90.0 90.0
#
#  E_BADCEL
47 Error reading unit cell information
47 Hopefully your coordinates are actually Cartesian
#
#  E_NOMOL
48 No molecule data loaded
#
#  E_LDGRP
49 Error loading group definition from group file
#
# E_TOMGRP
50 More than one group definition matches
50 The file steric.grp contains more than one group definition that matches
50 the group name requested.  Clean up steric.grp!
50 The last matching definition will be used.
#
# E_NOFGRP
51 Error finding specific group
51 Required group may not be in the molecule
#
# E_ENDFRC
52 Warning Current molecules fractional coordinates invalid
52 The current operation has invalidated the fractional coordinates used in
52 the current molecule.  All future operations can only be performed as if
52 the molecule had only Cartesian coordinates.  All symmetry operators are
52 being removed, and the fractional coordinate memory is being replaced by
52 the Cartesian coordinate memory for all atoms.
#
# E_NOOVER
53 No overlap found
53 The subroutine running expected to be sent data regarding a case of
53 atomic overlap.  This was not so.  Check the code.
#
# E_NEGARE
54 Negative area
54 An area < 0.0 was calculated for this region.  Check the code.
#
#  E_GNOTPI
55 Total gamma range for area calculation != 2pi
55 This is most likely due to unexpected multiple overlap combination.
55 The best solution is see if the programmer can come up with a
55 miraculous solution to somehow take the new combination into account.
55 This result may be somewhat dubious.
#
#  E_ATOSML
56 Calculated projected area was < 0.0
56 It was therefore increased to 0.0.
#
# E_OUTRNG
57 Value entered is out of range
57 Try more conservative values.
#
# E_EXRANG
58 Exceeded array size
58 Program tried to write out of profile array.  Code is dubious.
#
# E_BDCIRC
59 Circle badly defined
59 This is a generic error for any situation in which a circle memory
59 parameters do not match expectations.
#
# E_BDMINT
60 Intersept vector badly defined
60 This is a generic error for any situation in which intersept memory
60 parameters do not match expectations.
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#  end of steric error messages
#