AMBER Archive (2008)

Subject: AMBER: mmpbsa errors in redoing the tutorial A3:MMPBSA

From: haixiao jin (
Date: Sat Sep 27 2008 - 02:45:06 CDT

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

thank you for any suggestion!

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