zero dist.

Jan Dohnalek dohnalek at iris.imc.cas.cz
Wed Jul 29 03:11:58 EST 1998


Hi XPLOR users.
I have encountered this error XPLOR gives when generating structure:

 %HBUILD-ERR: zero distance between atoms"WSUB123 TIP3OH2 " "MSUB34  GLU O   "
 %<HBUILD>-ERR: There are zero interatomic distances.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Subroutine DIE called . Terminating


I have checked several times the coordinates of those atoms
in the files that XPLOR reads as coordinates. There is a distance
of 2.93A between them. 
Then after I decided to delete the "WSUB123 TIP3OH2 " (water)
the same problem appeared for another pair of atoms with
about 3A distance from one to another.

Please, help.

Thank you
        Jan Dohnalek

-- 
Mr. Jan Dohnalek
Institute of Macromolecular Chemistry
(Ustav Makromolekularni Chemie)
Heyrovskeho nam.2, 162 06 Praha 6 Petriny

e-mail: dohnalek at iris.imc.cas.cz
	dohnalek at euler.fjfi.cvut.cz
Tel.:	(00420 2) 20403 205
Fax:	(00420 2) 367 981



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