zero dist.

Jan Dohnalek dohnalek at
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
	dohnalek at
Tel.:	(00420 2) 20403 205
Fax:	(00420 2) 367 981

More information about the X-plor mailing list