Returns a list of class "trj" with the following components:
topfile
the input topology file.
topformat
the format of the input topology.
trjfile
the input trajectory file.
trjformat
the format of the input trajectory.
coord
a three dimensional array containing atomic coordinates for all the frames. Dimensions are: Natoms:3:Nframes.
top
a data.frame containing topological informations with a row per atom and a column per record type (resno, resid, elety, eleno, chain).
start
a vector with the first frame of the simulation. When multiple simulations are concatenated with cat.trj the vector indicates the first frame of each simulation.
end
a vector with the last frame of the simulation. When multiple simulations are concatenated with cat.trj the vector indicates the last frame of each simulation.
call
the matched call.
Arguments
trjfile
contains the name and the path to the reference file (pdb or gro files are accepted)
topfile
contains the name and the path to the trajectory file (xtc or dcd files are accepted)