Paymon Pirzadeh wrote:
Sorry,
My command line was:
trjcat_d_mpi -f AFPI_Ih1010_54_58_Npt265_2.xtc
AFPI_Ih1010_54_58_Npt265_3.xtc AFPI_Ih1010_54_58_Npt265_4.xtc
AFPI_Ih1010_54_58_Npt265_5.xtc AFPI_Ih1010_54_58_Npt265_6.xtc -o
AFPI_Ih1010_54_58_Npt265_merged2-6.xtc
the "_d_mpi" is the suffix used for double precision and parallel
version of the installed gromacs.
OK so now we have some idea what you might be trying to do. The most
likely causes are that the first few trajectories have no frames, or
that each frame in the earlier trajectories is common to one in the last
trajectory. This might happen if you were using grompp to do restarts,
or have previously assigned duplicate times somehow. If so, find a
better workflow in future. Consult trjcat -h for clues on how to get
around this.
Mark
Payman
On Mon, 2009-11-02 at 15:08 +1100, Mark Abraham wrote:
Paymon Pirzadeh wrote:
Hello,
I am trying to concatenate several xtc files. When I use the trjcat, it
only writes the last file into the output file! where the problem could
be?
In your command line. Why didn't you tell us what it was? :-)
Mark
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