[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.
Masa.
----
Masaomi Hatakeyama
Dept. of Chemical Engineering
University of California, Davis
email: mhata at ucdavis.edu
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