[gmx-users] About the data loss due to Disk space problem

PAVAN PAYGHAN pavanapex at gmail.com
Wed Apr 17 10:21:35 CEST 2013

Dear Gromacs Users,

I am facing the problem with the output generated during the condition
of critical disk space (Both Hard disk and OS associated Memory
The problem definition is as follows:

1. The .trr and .xtc file generated shows Incomplete frame error in
the very beginning of the run (both at different time intervals).
2. However when I have analysed the the same file in running condition
before the disk space problem, I have seen the files are in readable
condition and the analysis up to that part was possible.
3. Now the same files are giving error message of Incomplete frames
(in the very beginning), also the data size was more at the time of
analysis and at present after the disk space problem the same file
contains data of lesser size (for .trr file).
4. Situation is such that .trr file contains lesser data than that of
.xtc file at present.
5. I have the .xtc file on which I have done the analysis but same
cant be used as starting point to continue the run (.cpt file is not
available for that exact point ).
6. The present data in .trr and .xtc files is not gonna help even when
I have the .cpt file for the continuation.

Now My question is Why this anomalous behavior?
How it can happen that file data will be reduced during run for .trr file?
How I can restart using the .xtc file on which I have done analysis
(file with data) ,as no .cpt information for that point ?

Please help me to solve this mysterious problem

Thanking in Advance,


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