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Commit 929b55a9 authored by Gareth Tribello's avatar Gareth Tribello
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Fixed more spellings and ran astyle

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......@@ -94,7 +94,7 @@ Calculate the eRMSD from reference structure reference.pdb using the default cut
considering residues 1,2,3,4,5,6.
\plumedfile
#SETTINGS MOLFILE=regtest/basic/rt-ermsd/ref.pdb
#SETTINGS MOLFILE=regtest/basic/rt-ermsd/ref.pdb
MOLINFO STRUCTURE=reference.pdb
eRMSD1: ERMSD REFERENCE=reference.pdb ATOMS=@lcs-1,@lcs-2,@lcs-3,@lcs-4,@lcs-5,@lcs-6
\endplumedfile
......
......@@ -92,7 +92,7 @@ frame just after end.pdb. All these frames would be equally spaced.
plumed pathtools --start start.pdb --end end.pdb --nframes 4 --metric OPTIMAL --out path.pdb --nframes-before-start 2 --nframes-after-end 2
\endverbatim
Notice also that when you re-parametrize paths you must choose two frames to fix. Generally you chose to fix the states
Notice also that when you re-parameterize paths you must choose two frames to fix. Generally you chose to fix the states
that are representative of your states A and B. By default pathtools will fix the first and last frames. You can, however,
change the states to fix by taking advantage of the fixed flag as shown below.
......@@ -126,7 +126,7 @@ void PathTools::registerKeywords( Keywords& keys ) {
keys.add("compulsory","--metric","the measure to use to calculate the distance between frames");
keys.add("compulsory","--out","the name of the file on which to output your path");
keys.add("compulsory","--arg-fmt","%f","the format to use for argument values in your frames");
keys.add("compulsory","--tolerance","1E-4","the tolerance to use for the algorithm that is used to re-parametrize the path");
keys.add("compulsory","--tolerance","1E-4","the tolerance to use for the algorithm that is used to re-parameterize the path");
keys.add("compulsory","--nframes-before-start","1","the number of frames to include in the path before the first frame");
keys.add("compulsory","--nframes","1","the number of frames between the start and end frames in your path");
keys.add("compulsory","--nframes-after-end","1","the number of frames to put after the last frame of your path");
......
......@@ -191,7 +191,7 @@ void TD_Uniform::registerKeywords(Keywords& keys) {
keys.add("optional","MINIMA","The minimum of the intervals where the target distribution is taken as uniform. You should give one value for each argument.");
keys.add("optional","MAXIMA","The maximum of the intervals where the target distribution is taken as uniform. You should give one value for each argument.");
keys.add("optional","SIGMA_MINIMA","The standard deviation parameters of the Gaussian switching functions for the minima of the intervals. You should give one value for each argument. Value of 0.0 means that switch is done without a smooth switching function, this is the default behavior.");
keys.add("optional","SIGMA_MAXIMA","The standard deviation parameters of the Gaussian switching functions for the maxima of the intervals. You should give one value for each argument. Value of 0.0 means that switch is done without a smooth switching function, this is the default behavior.");
keys.add("optional","SIGMA_MAXIMA","The standard deviation parameters of the Gaussian switching functions for the maximum of the intervals. You should give one value for each argument. Value of 0.0 means that switch is done without a smooth switching function, this is the default behavior.");
}
......
......@@ -78,7 +78,7 @@ PLUMED is made up of modules. Some of them are on by default, some others aren't
Since version 2.3, the activation of modules should be made during configuration using the `--enable-modules`
option (see \ref mymodules).
Notice that some functionalities of PLUMED depend on external
Notice that some of the methods within PLUMED depend on external
libraries which are looked for by configure. You can typically
avoid looking for a library using the "disable" syntax, e.g.
\verbatim
......
......@@ -980,3 +980,4 @@ SVN
refactoring
Boltzmann
unweighted
parameterize
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