[gmx-users] warning message while using eneconv

sunita at chem.iitb.ac.in sunita at chem.iitb.ac.in
Wed Dec 27 16:43:28 CET 2006


Dear users,


I am using gromacs version 3.2.1. While concatinating .edr files using
eneconv, I am getting warning messages. The concatinated file when used
for     analysis, it continues to give the same warning messages. The
final .xvg output seems to be correct.

I never had this kind of problem with gromacs version 3.1.4.

Is there any problem with the concatinated .edr file?
How to fix this problem?

The waring messages are
===========================================
WARNING: there may be something wrong with energy file ../200ns.edr
Found: step=-2124237637, nre=71, ndisre=0, nblock=0, time=124900.
Trying to skip frame expect a crash though

WARNING: there may be something wrong with energy file ../200ns.edr
Found: step=-2124237387, nre=71, ndisre=0, nblock=0, time=124900.
Trying to skip frame expect a crash though

WARNING: there may be something wrong with energy file ../200ns.edr
Found: step=-2124237137, nre=71, ndisre=0, nblock=0, time=124901.
Trying to skip frame expect a crash though

WARNING: there may be something wrong with energy file ../200ns.edr
Found: step=-2124236887, nre=71, ndisre=0, nblock=0, time=124901.
Trying to skip frame expect a crash though
===========================================



With regards,
sunita




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