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Commit 7b7142ba authored by Carlo Camilloni's avatar Carlo Camilloni
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CS2BACKBONE: one more regtest

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include ../../scripts/test.make
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#! FIELDS time cs csn
0.000000 86.6797 86.6797
0.050000 56.3012 56.3012
0.100000 38.1827 38.1827
0.150000 13.8305 13.8305
0.200000 18.7268 18.7268
0.250000 94.5782 94.5782
0.300000 58.3071 58.3071
0.350000 27.9176 27.9176
0.400000 15.3648 15.3648
0.450000 27.7054 27.7054
0.500000 1.2230 1.2230
0.550000 45.3258 45.3258
plumed_needs="almost"
mpiprocs=2
type=driver
arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz"
cs: CS2BACKBONE ATOMS=7-126 NRES=17 TERMINI=NONE,NONE DATA=../../data/ NEIGH_FREQ=1
csn: CS2BACKBONE ATOMS=7-126 NRES=17 TERMINI=NONE,NONE DATA=../../data/ SERIAL NEIGH_FREQ=1
PRINT ARG=cs,csn STRIDE=1 FILE=colvar FMT=%8.4f
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