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Martin Kurečka
Plumed AlphaFold
Commits
e146b3b3
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Commit
e146b3b3
authored
8 years ago
by
Giovanni Bussi
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Fixed doc
[makedoc]
parent
613e3165
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src/function/FuncSumHills.cpp
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src/function/FuncSumHills.cpp
src/generic/DumpProjections.cpp
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src/generic/DumpProjections.cpp
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src/function/FuncSumHills.cpp
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e146b3b3
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@@ -44,6 +44,10 @@ during your dynamics (it will crash!)
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@@ -44,6 +44,10 @@ during your dynamics (it will crash!)
In the future one could implement periodic integration during the metadynamics
In the future one could implement periodic integration during the metadynamics
or straightforward MD as a tool to check convergence
or straightforward MD as a tool to check convergence
\par Examples
There are currently no examples for this keyword.
*/
*/
//+ENDPLUMEDOC
//+ENDPLUMEDOC
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src/generic/DumpProjections.cpp
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@@ -34,6 +34,18 @@ namespace generic{
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@@ -34,6 +34,18 @@ namespace generic{
/*
/*
Dump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases).
Dump the derivatives with respect to the input parameters for one or more objects (generally CVs, functions or biases).
\par Examples
Compute the distance between two groups and write on a file the
derivatives of this distance with respect to all the atoms of the two groups
\verbatim
x1: CENTER ATOMS=1-10
x2: CENTER ATOMS=11-20
d: DISTANCE ATOMS=x1,x2
DUMPPROJECTIONS ARG=d FILE=proj STRIDE=20
\endverbatim
*/
*/
//+ENDPLUMEDOC
//+ENDPLUMEDOC
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