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Commit ac7ea8a2 authored by Carlo Camilloni's avatar Carlo Camilloni
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updated the regtest for ABMD

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#! FIELDS time rmsd abmd.bias #! FIELDS time rmsd abmd.bias abmd.min_1
0.000000 3.966 82.163 0.000000 3.966 0.000 15.732
0.050000 3.970 83.104 0.050000 3.970 3.632 15.162
0.100000 3.973 83.757 0.100000 3.973 7.469 14.923
0.150000 3.977 84.673 0.150000 3.977 11.497 14.747
0.200000 3.982 85.838 0.200000 3.982 7.695 14.982
RMSD LABEL=rmsd REFERENCE=reference.pdb TYPE=SIMPLE RMSD LABEL=rmsd REFERENCE=reference.pdb TYPE=SIMPLE
ABMD ARG=rmsd KAPPA=20 MIN=1.0 TO=2.0 LABEL=abmd ABMD ARG=rmsd KAPPA=20 TO=0.0 SEED=12 NOISE=0.2 LABEL=abmd
PRINT ... PRINT ...
STRIDE=1 STRIDE=1
ARG=rmsd,abmd.bias ARG=rmsd,abmd.bias,abmd.min_1
FILE=COLVAR FMT=%6.3f FILE=COLVAR FMT=%6.3f
... PRINT ... PRINT
......
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