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Commit 02a73f6e authored by Giovanni Bussi's avatar Giovanni Bussi
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A few more verbatim -> plumedfile

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......@@ -49,11 +49,11 @@ The input below calculates a density field from the positions of atoms 1-14400.
that are specified in the DENSITY action that are within a region where the density field is greater than
2.0 is then calculated.
\verbatim
\plumedfile
d1: DENSITY SPECIES=14401-74134:3 LOWMEM
fi: INENVELOPE DATA=d1 ATOMS=1-14400 CONTOUR={RATIONAL D_0=2.0 R_0=1.0} BANDWIDTH=0.1,0.1,0.1 LOWMEM
PRINT ARG=fi,rr.* FILE=colvar
\endverbatim
\endplumedfile
*/
//+ENDPLUMEDOC
......
......@@ -59,13 +59,13 @@ looking through the example given below.
In this example I will explain in detail what the following input is computing:
\verbatim
\plumedfile
MOLINFO MOLTYPE=protein STRUCTURE=M1d.pdb
psi: TORSIONS ATOMS1=@psi-2 ATOMS2=@psi-3 ATOMS3=@psi-4
phi: TORSIONS ATOMS1=@phi-2 ATOMS2=@phi-3 ATOMS3=@phi-4
p: PAMM DATA=phi,psi CLUSTERS=clusters.dat MEAN1={COMPONENT=1} MEAN2={COMPONENT=2}
PRINT ARG=p.mean-1,mean-2 FILE=colvar
\endverbatim
\endplumedfile
The best place to start our explanation is to look at the contents of the clusters.dat file
......
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