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Commit a4570a71 authored by Carlo Camilloni's avatar Carlo Camilloni
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CS2BACKBONE AVERAGING test

parent 761e27c6
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include ../../scripts/test.make
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#! FIELDS time cse cs
0.000000 52.9900 86.6797
0.050000 61.3149 56.3012
0.100000 34.8447 38.1827
0.150000 9.5136 13.8305
0.200000 5.6584 18.7268
0.250000 34.7496 94.5782
0.300000 56.7011 58.3071
0.350000 24.5056 27.9176
0.400000 14.1439 15.3648
0.450000 17.0494 27.7054
0.500000 5.9365 1.2230
0.550000 12.0625 45.3258
#! FIELDS time cse cs
0.000000 52.9900 45.3258
0.050000 61.3149 86.6797
0.100000 34.8447 56.3012
0.150000 9.5136 38.1827
0.200000 5.6584 13.8305
0.250000 34.7496 18.7268
0.300000 56.7011 94.5782
0.350000 24.5056 58.3071
0.400000 14.1439 27.9176
0.450000 17.0494 15.3648
0.500000 5.9365 27.7054
0.550000 12.0625 1.2230
plumed_needs="almost"
mpiprocs=2
type=driver
arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz ala12_trajectory.xyz --multi 2"
cse: CS2BACKBONE ATOMS=7-126 NRES=17 TERMINI=NONE,NONE DATA=../../data/ NEIGH_FREQ=1 ENSEMBLE
cs: CS2BACKBONE ATOMS=7-126 NRES=17 TERMINI=NONE,NONE DATA=../../data/ NEIGH_FREQ=1
PRINT ARG=cse,cs STRIDE=1 FILE=colvar FMT=%8.4f
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