[gmx-users] trn file
Maurício Menegatti Rigo
mauriciomr1985 at gmail.com
Tue Mar 23 16:55:30 CET 2010
With gmxcheck, I have the following:
*Checking file File1.trr*
trn version: GMX_trn_file (single precision)
Reading frame 0 time 10.000
# Atoms 47639
Last frame 12 time 14.800
Item #frames Timestep (ps)
Step 13 0.4
Time 13 0.4
Lambda 13 0.4
Coords 13 0.4
Velocities 13 0.4
Forces 0
Box 13 0.4
*Checking file File2.trr*
trn version: GMX_trn_file (single precision)
Reading frame 0 time 15.000
# Atoms 47639
Last frame 12 time 19.800
Item #frames Timestep (ps)
Step 13 0.4
Time 13 0.4
Lambda 13 0.4
Coords 13 0.4
Velocities 13 0.4
Forces 0
Box 13 0.4
*Checking file File3.trr*
trn version: GMX_trn_file (single precision)
Reading frame 0 time 20.000
# Atoms 47639
Last frame 12 time 24.800
Item #frames Timestep (ps)
Step 13 0.4
Time 13 0.4
Lambda 13 0.4
Coords 13 0.4
Velocities 13 0.4
Forces 0
Box 13 0.4
*Checking file File4.trr*
trn version: GMX_trn_file (single precision)
Reading frame 0 time 25.000
# Atoms 47639
Last frame 12 time 29.800
Item #frames Timestep (ps)
Step 13 0.4
Time 13 0.4
Lambda 13 0.4
Coords 13 0.4
Velocities 13 0.4
Forces 0
Box 13 0.4
*Checking file File5.trr*
trn version: GMX_trn_file (single precision)
Reading frame 0 time 30.000
# Atoms 47639
Reading frame 70 time 58.000
-------------------------------------------------------
Program gmxcheck, VERSION 4.0.7
Source code file: trnio.c, line: 66
File input/output error:
Can not determine precision of trn file
-------------------------------------------------------
This means that my FIle5.trr stopped at time 58.0000 (the correct would be
2000.0000)? IS THere any way to fix it?
Thanks !
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