[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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