Skip to content
Snippets Groups Projects
Commit 6fd4e240 authored by Carlo Camilloni's avatar Carlo Camilloni
Browse files

user-doc: small changes

[makedoc]
parent 9e888767
No related branches found
No related tags found
No related merge requests found
......@@ -10,7 +10,7 @@ implemented in PLUMED - there values can be monitored using \ref PRINT, \ref Fun
or they can be analyzed or biased using the \ref Analysis and \ref Bias "Biasing" methods implemented in PLUMED.
Before doing any of these things however we first have to tell PLUMED how to calculate them.
The simplest collective variables that are implemented in PLUMED 2 take in a
The simplest collective variables that are implemented in PLUMED take in a
set of atomic positions and output one or multiple scalar CV values. Information on these variables is given on the page entitled
\ref Colvar while information as to how sets of atoms can be selected
can be found in the pages on \ref Group. Please be aware that PLUMED contains implementations of many other collective variables
......@@ -34,7 +34,7 @@ implement all these collective variables without implementing having an unmanigi
\page Colvar CV Documentation
The following list contains descriptions of a number of the colvars that are currently implemented in PLUMED 2.
The following list contains descriptions of a number of the colvars that are currently implemented in PLUMED.
@COLVAR@
......
/**
\mainpage Introduction
PLUMED is a plugin that works with a large number of molecular dynamics codes. It can be used
to analyse features of the dynamics on-the-fly or to perform a wide variety of free energy methods.
PLUMED is a plugin that works with a large number of molecular dynamics codes.
It can be used to analyse features of the dynamics on-the-fly or to perform a wide variety of free energy methods.
PLUMED can also work as a standalone tool to perform analysis on trajectories saved in most of the
existing formats.
The original PLUMED 1 \cite plumed1
was highly successful and had over 1000 users. PLUMED 2 \cite plumed2 constitues an
extensive rewrite of the original in a way that makes it more modular and thus easier to implement
new methods, more straightforward to add it to MD codes and hopefully simpler to use.
This is the user manual - if you want to modify PLUMED or to understand how it works internally, have a look at the
<a href="../../developer-doc/html/index.html"> developer manual </a>.
To follow the development of PLUMED 2, you can look at the detailed \ref Changelog.
To install PLUMED, see this page: \ref Installation
\ref tutorials are available to introduce in a more practical way basic as well as more
advanced features of PLUMED.
To install PLUMED 2, see this page: \ref Installation
If PLUMED is useful for your work please read and cite \cite plumed2, if you are interested in the PLUMED 1 original publication please read and cite \cite plumed1 .
\section AboutManual About this manual
@VERSION@
This is the user manual - if you want to modify PLUMED or to understand how it works internally, have a look at the
<a href="../../developer-doc/html/index.html"> developer manual </a>.
@PDFMANUAL@
The PDF version is still not complete and has some known issue (e.g. some
links are not working properly and images are not correctly included),
......@@ -38,7 +37,7 @@ please do not print it!
\section qintro A quick introduction
To run PLUMED 2 you need to provide one input file. In this file you specify what it
To run PLUMED you need to provide one input file. In this file you specify what it
is that PLUMED should do during the course of the run. Typically this will involve calculating
one or more collective variables, perhaps calculating a function of these CVs
and then doing some analysis of values of your collective variables/functions or running
......@@ -56,7 +55,7 @@ PLUMED can be used in one of two ways.
First, it can be incorporated into an MD code and used to analyse or bias a molecular dynamics run on the fly.
Notice that some MD code could already include calls to the PLUMED library
and be PLUMED-ready in its original distribution.
As far as we know, the following MD codes can be used with PLUMED 2 out of the box:
As far as we know, the following MD codes can be used with PLUMED out of the box:
- [AmberTools](http://ambermd.org/), sander module, since version 15.
- [CP2K](http://www.cp2k.org), since Feb 2015.
- [ESPResSo](http://espressomd.org), in a Plumedized version that can be found
......
/**
\page Syntax Getting started
To run PLUMED 2 you need to provide one input file. In this file you specify what it
To run PLUMED you need to provide one input file. In this file you specify what it
is that PLUMED should do during the course of the run. Typically this will involve calculating
one or more collective variables, perhaps calculating a function of these CVs
and then doing some analysis of values of your collective variables/functions or running
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment