Diagnostic Error Messages

The 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 11.1.6) of the trajectory file or that SKIP is smaller than 0. The value of SKIP is adjusted to make it compatible with the saving frequency 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 are used.

READC-ERROR file 1 at step ...

means that something terribly wrong has occurred.