SI.tex

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%% This is a (brief) model paper using the achemso class
%% The document class accepts keyval options, which should include
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\documentclass[journal=jctcce,manuscript=article,layout=singlecolumn]{achemso}

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\usepackage{chemformula} % Formula subscripts using \ch{}
\usepackage[T1]{fontenc} % Use modern font encodings
\usepackage{epstopdf}
\usepackage{multirow}
\usepackage{adjustbox}
\usepackage{float}
\usepackage{placeins}
\usepackage{easy-todo}
\usepackage{verbatim}
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%% If issues arise when submitting your manuscript, you may want to
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%%\listfiles

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\newcommand*\mycommand[1]{\texttt{\emph{#1}}}

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%% Meta-data block
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%% Each author should be given as a separate \author command.
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%% Corresponding authors should have an e-mail given after the author
%% name as an \email command. Phone and fax numbers can be given
%% using \phone and \fax, respectively; this information is optional.
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%% The affiliation of authors is given after the authors; each
%% \affiliation command applies to all preceding authors not already
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%% The affiliation takes an option argument for the short name.  This
%% will typically be something like "University of Somewhere".
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%% The \altaffiliation macro should be used for new address, etc.
%% On the other hand, \alsoaffiliation is used on a per author basis
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\author{Hanne S. Antila}
\affiliation{Department of Theory and Bio-Systems, Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany}
\alsoaffiliation{Department of Biomedicine, University of Bergen, 5020 Bergen, Norway}
\email{hanne.antila@uib.no}
\author{Sneha Dixit}
\affiliation{Department of Theory and Bio-Systems, Max Planck Institute of Colloids and Interfaces, 14476 Potsdam, Germany}
\author{Batuhan Kav}
\affiliation{Forschungszentrum Juelich, Germany}
\email{batuhankav@gmail.com}
\author{Jesper J. Madsen}
\affiliation{Department of Molecular Medicine, Morsani College of Medicine, University of South Florida, Tampa, Florida 33612, United States of America}
\alsoaffiliation{Center for Global Health and Infectious Diseases Research, Global and Planetary Health, College of Public Health, University of South Florida, Tampa, Florida 33612, United States of America}
\author{Markus S. Miettinen}
\author{O. H. Samuli Ollila}
\affiliation{VTT Technical Research Centre of Finland, Espoo, Finland}
\alsoaffiliation{Institute of Biotechnology, University of Helsinki, Helsinki, Finland}


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%% The document title should be given as usual. Some journals require
%% a running title from the author: this should be supplied as an
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%\title[An \textsf{achemso} demo]
%  {A demonstration of the \textsf{achemso} \LaTeX\
%   class\footnote{A footnote for the title}}
%\title{NMRLipids VI: Polarizable Force Fields}
%\title{Do explicitly polarizable force fields give better description of biomembranes?}
%\title{Comparison of polarizable lipid models to high-resolution experimental data reveals room for improvement}
%\title{Benchmarking polarizable lipid force field}
\title{Supplementary Information: Evaluation of polarizable biomembrane simulations against experiments}
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%% Some journals require a list of abbreviations or keywords to be
%% supplied. These should be set up here, and will be printed after
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%\abbreviations{IR,NMR,UV}
%\keywords{American Chemical Society, \LaTeX}

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\begin{document}

\renewcommand{\thefigure}{S\arabic{figure}}
\setcounter{figure}{0} 
\begin{figure}[!h]
    \centering
    %\includegraphics{Figures/order_parameters.png}
    \includegraphics[width=0.8\textwidth]{Figures/quality_Drude2023_replicas.pdf}
    \caption{Comparison of different replicas from CHARMM-Drude2023 simulations against experimental X-ray scattering form factors and C-H bond order parameters from the NMRlipids databank.}
    \label{fig:order_parameters_replicas}

\end{figure}

\begin{figure}[!hbt]
	\centering
	\includegraphics{Figures/dihedral_distributions_without_ions.eps}
	\caption{The distributions of the torsion angles for the head group atoms. For each torsion angle, the upper and lower rows contain the DOPC (AMOEBA) - POPC (Drude/Drude2023) and POPE lipids, respectively.}
	\label{fig:dihedral_no_salt}
\end{figure}
\end{document}