[gmx-users] inconsistent XTC/Magic number error in g_density

[Alan Dodd]

g_density produces an error every time I try to run it on two of my trajectories at frame 0 - magic number for one, and a ridiculous number of atoms for the other.  Oddly, every other program I've used (trjcat, trjconv, g_covar, g_dist, etc etc) is perfectly happy with the files, and gmxcheck also produces a happy-looking output.  Any clues what the problem could be?  You'd think as it uses the same code (xtcio.c) for reading xtc's for all analysis, they'd all either succeed or fail...

g_density:
Reading frame       0 time    0.000   -------------------------------------------------------
Program g_density, VERSION 3.3.1
Source code file: xtcio.c, line: 233
Fatal error:
Frame contains more atoms (1865562167) than expected (42549)

gmxcheck:
Checking file trjcatted.xtc
Reading frame       0 time    0.000
# Atoms  42575
Precision 0.001 (nm)
Last frame      60000 time 45000.000

Item        #frames Timestep (ps)
Step         60001    0.75
Time         60001    0.75
Lambda           0
Coords       60001    0.75
Velocities       0
Forces           0
Box          60001    0.75


-----------------------------------------------------------------------------------------------------------

g_density:
Reading frame       0 time    0.000   -------------------------------------------------------
Program g_density, VERSION 3.3.1
Source code file: xtcio.c, line: 83
Fatal error:
Magic Number Error in XTC file (read -121802304, should be 1995)


gmxcheck:
Note: tpx file_version 31, software version 40
Checking file trjcatted.xtc
Reading frame       0 time    0.000
# Atoms  42449
Precision 0.001 (nm)
Last frame      60000 time 45000.000

Item        #frames Timestep (ps)
Step         60001    0.75
Time         60001    0.75
Lambda           0
Coords       60001    0.75
Velocities       0
Forces           0
Box          60001    0.75


 
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