[Xplor-nih] error message

[Marco Roeben]

Hello everyone,

could someone explain the following error message to me? I've no clue what has 
happened. Thank you very much!


PublicIVM::syncPos: recentering atoms
cm: { -174.615, 6925.09, -5895.56 }
 %ATMCHK-ERR: unknown coordinates for atom "    -6   -PHE -CD2 "
 %ATMCHK-ERR: unknown coordinates for atom "    -6   -PHE -HD2 "
 %ATMCHK-ERR: Unknown coordinates
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Subroutine DIE called . Terminating


with best regards
Marco

-- 
Dipl. Chem. Marco Röben
Leibniz-Institut für Molekulare Pharmakologie Berlin (FMP)
Abt.: NMR-unterstützte Strukturforschung
Robert-Rössle-Str. 10
D-13125 Berlin
Tel: 030-94793224
Fax: 030-94793169
mail: roeben at fmp-berlin.de
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