[Xplor-nih] error message

[Charles at Schwieters.org]

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Hello Marco--

> 
> 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

the magnnitude of some atomic coordinates have become quite large--
there's some problem with your script... 

best regards--
Charles
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