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Commit c19f32cc authored by Giovanni Bussi's avatar Giovanni Bussi
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Added regtest for #126

parent a8992f09
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#! FIELDS time ang1 ang2
0.000000 0.356 0.059
0.050000 0.377 0.114
0.100000 0.381 0.158
0.150000 0.372 0.187
0.200000 0.373 0.188
include ../../scripts/test.make
type=driver
# this is to test a different name
arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%10.6f"
extra_files="../../trajectories/trajectory.xyz"
ang1: ANGLE ATOMS=2,6,3
ang2: ANGLE ATOMS=2,6,7,3
RESTRAINT ...
ARG=ang2
KAPPA=20.0
AT=0.8
...
PRINT STRIDE=10 ARG=ang1,ang2 FILE=COLVAR FMT=%6.3f
\ No newline at end of file
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