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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