dear Amber users,
i load the input files and trajectory files of the tutorial A3:MMPBSA, and
redo the process in my compute
there is some errors:
No data for 0+0 PB ELRAELE 0 appears and there is no
snapshots_statistics.out file. In the log-file the
mesage: WARNING: Missing PBNONPOL for PB in 0 -> Taken from -1
WARNING: Missing ELRAELE for PB in 0 -> Taken from -1
WARNING: Missing EPB for PB in 0 -> Taken from -1
is found for every snapshot.
there is no delphi in my compute. it is the reason?
in amber 10 manual, it seems it does not need it.
i see some others have got the same problem, but here is no suggestion to
it.
thank you for any suggestion!
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Received on Sun Sep 28 2008 - 05:09:48 PDT
