[Xplor-nih] error message
Charles at Schwieters.org
Charles at Schwieters.org
Fri Jun 15 08:35:22 EDT 2007
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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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