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 R?ben
Leibniz-Institut f?r Molekulare Pharmakologie Berlin (FMP)
Abt.: NMR-unterst?tzte Strukturforschung
Robert-R?ssle-Str. 10
D-13125 Berlin
Tel: 030-94793224
Fax: 030-94793169
mail: roeben at fmp-berlin.de
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