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Martin Kurečka
Plumed AlphaFold
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cfb35e2b
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cfb35e2b
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10 years ago
by
Carlo Camilloni
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doc: more on installing PLUMED with ALMOST
[makedoc]
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user-doc/Installation.txt
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@@ -395,7 +395,8 @@ In order to used some of the NMR based collective variables (\ref CS2BACKBONE an
To do this the free package ALMOST v.2.1 MUST be dowloaded via SVN (svn checkout svn://svn.code.sf.net/p/almost/code/ almost-code).
ALMOST 2.1 can be found in branches/almost-2.1/ and can be compiled:
\warning ALMOST needs SQLITE3, GZIP and BZIP2 installed on your computer.
\warning ALMOST needs SQLITE3 and GZIP installed on your computer.
\warning ALMOST cannot be installed in the same folder of the source code, use --prefix to install it in a different folder
\verbatim
> ./configure --prefix="wherever you want it" CXXFLAGS="-O3 -fPIC" CFLAGS="-O3 -fPIC"
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@@ -403,6 +404,13 @@ ALMOST 2.1 can be found in branches/almost-2.1/ and can be compiled:
> make install
\endverbatim
Sometimes ALMOST can give errors related to the automake tools. To fix them it is often enough to execute
\verbatim
> autoreconf -fi
> automake
\endverbatim
and then repeat the configuration and compilation instructions.
PLUMED will not use the RDCs module of ALMOST so you can ignore the warning about LAPACK.
Once ALMOST is installed, PLUMED 2 can then be configured with ALMOST enabled:
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