[gmx-users] cannot determine precision of trn file
nidhikatyal1989 at gmail.com
Mon Mar 5 14:30:29 CET 2012
I think my restart was achieved successfully as my err file contained
"reading checkpoint file state.cpt generated:
Loaded with memory
making 2D domain decomposition 4*2*1
starting mdrun 'protein in water'
15000000 steps, 30000.0ps(continuing from step 15000000, 30000.0ps)."
Also .log file is giving me correct number of frames but when i checked
.ene file it says:
"There may be something wrong with energy file .ene
Trying to skip frame expect a crash though
Timesteps at t=0 don't match (0,11470)
timesteps at t=11470 don't match (11470,10)
last energy frame read 3057 time 30000.002
found 3058 frames"
I think the problem is arising since the operating system crashed when the
.ene file is still open in memory and so even .trr file was not created
Can you please suggest me the solution to the problem without having to
restart my run from the very beginning.
Thank you in advance.
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