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Commit 7b7beb64 authored by Carlo Camilloni's avatar Carlo Camilloni
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belfast: more fixes

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......@@ -425,7 +425,7 @@ can be mixed and it is not necessary to keep track of which restraint was used t
every single frame. Let's get the concatenated trajectory
\verbatim
trjcat -cat -f traj*.xtc -o alltraj.xtc
gmx_mpi trjcat -cat -f traj*.xtc -o alltraj.xtc
\endverbatim
Now we should compute the value of each of the bias potentials on the entire (concatenated) trajectory
......
......@@ -177,7 +177,7 @@ so there seems not to be any problem on this side.
We can use the second file to reconstruct the continuous trajectories of each replica in temperature:
\verbatim
trjcat_mpi -f traj0.trr traj1.trr -demux replica_index.xvg
gmx_mpi trjcat -f traj0.trr traj1.trr -demux replica_index.xvg
\endverbatim
and the following PLUMED input file (plumed_demux.dat) to recalculate the value of the CVs on the demuxed trajectories,
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