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following list contains the most common
error messages encountered during reading of trajectory files and the
possible causes of them:
- READC-ERROR file 1 at step 0
means that one should check whether ASCIi is set to the right value.
- READC: number of atoms do not match
means that the molecular structure information
and the trajectory file are not compatible.
- READC: header mismatch on file
means that the header of a trajectory file does not match the header of
the previously read trajectory file.
- READC: SKIP not compatible. Modified
means that the SKIP value in a trajectory statement
is not an integer multiple of saving frequency (e.g., NSAVc in
Section 10.1.6) of the
trajectory file or that SKIP is smaller than 0. The
value of SKIP is adjusted to make it compatible with the
in the trajectory file.
- READC: STOP not compatible. Modified
means that the difference (STOP-BEGIN) in a trajectory statement
is not an integer multiple of SKIP or that STOP is
smaller than BEGIN. X-PLOR will attempt to adjust the
value of STOP.
- READC: EOF on file=',UNIT,' while trying to read step=',ISTEP
means that the end of the trajectory file has been reached. This
happens naturally at the end of each input
file if several input files
- READC-ERROR file 1 at step ...
means that something terribly wrong has occurred.
Sat Mar 11 09:37:37 PST 1995