[gmx-users] trjconv warning

m-hatake at jaist.ac.jp m-hatake at jaist.ac.jp
Tue Jun 21 19:29:53 CEST 2005

Dear All,

I tried to do 'trjconv' as following since I want to see a snapshot of my simulation.

> trjconv -f traj.trr -o mid.pdb -b 30000 -e 30000

but warning happened and I couldn't get 'mid.pdb' file.
The warning was like this:

WARNING: Incomplete frame: nr 403 time 16120

Setting output precision to 0.001 (nm)

WARNING no output, trajectory ended at 16120

This simulation is now still running. and the 'Time' is over 16120[ps].
The 'md.log' file is: 

           Step           Time         Lambda
        7890000    31560.00195        0.00000

Large VCM(group rest):     -0.00181,     -0.00077,      0.00256, ekin-cm:  3.41561e+00
   Energies (kJ/mol)
           Bond       G96Angle        LJ (SR)   Coulomb (SR)      Potential
    3.88847e+03    2.02991e+03   -2.23091e+05    0.00000e+00   -2.17173e+05
    Kinetic En.   Total Energy    Temperature Pressure (bar)
    3.61760e+04   -1.80997e+05    3.49516e+02    6.25799e+00

Why doesn't 'trjconv' work?
Please help me.

Thanks in advance.
Masaomi Hatakeyama
Dept. of Chemical Engineering
University of California, Davis
email: mhata at ucdavis.edu

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