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Commit 546922ed authored by alejogiley's avatar alejogiley
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added an example in the manual of TARGET

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......@@ -284,6 +284,27 @@ Alternatively, if you use a BIASFACTOR yout simulation will converge to a free
energy that is a linear combination of the target free energy and of the intrinsic free energy
determined by the original force field.
\verbatim
DISTANCE ATOMS=3,5 LABEL=d1
METAD ...
LABEL=t1
ARG=d1 SIGMA=0.05 TAU=200 DAMPFACTOR=100 PACE=250
GRID_MIN=0 GRID_MAX=2 GRID_BIN=200
TARGET=dist.dat
... METAD
PRINT ARG=d1,t1.bias STRIDE=100 FILE=COLVAR
\endverbatim
The header in the file dist.dat for this calculation would read:
\verbatim
#! FIELDS d1 t1.target der_d1
#! SET min_d1 0
#! SET max_d1 2
#! SET nbins_d1 200
#! SET periodic_d1 false
\endverbatim
*/
//+ENDPLUMEDOC
......
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