--- trunk/electrostaticMethodsPaper/electrostaticMethods.tex	2006/04/26 14:20:17	2740
+++ trunk/electrostaticMethodsPaper/electrostaticMethods.tex	2006/04/26 15:22:09	2741
@@ -1,7 +1,7 @@
 %\documentclass[prb,aps,twocolumn,tabularx]{revtex4}
 %\documentclass[aps,prb,preprint]{revtex4}
-\documentclass[10pt]{article}
-%\usepackage{endfloat}
+\documentclass[11pt]{article}
+\usepackage{endfloat}
 \usepackage{amsmath,bm}
 \usepackage{amssymb}
 \usepackage{epsf}
@@ -27,7 +27,7 @@ Pairwise alternatives to the accepted standard for \\
 
 \title{Is the Ewald summation still necessary? \\
 Pairwise alternatives to the accepted standard for \\
-long-range electrostatics}
+long-range electrostatics in molecular simulations}
 
 \author{Christopher J. Fennell and J. Daniel Gezelter\footnote{Corresponding author. \ Electronic mail:
 gezelter@nd.edu} \\
@@ -38,7 +38,7 @@ Notre Dame, Indiana 46556}
 \date{\today}
 
 \maketitle
-%\doublespacing
+\doublespacing
 
 \begin{abstract}
 We investigate pairwise electrostatic interaction methods and show
@@ -531,7 +531,7 @@ Fig. \ref{fig:linearFit}.
 
 \begin{figure}
 \centering
-\includegraphics[width = 3.25in]{./dualLinear.pdf}
+\includegraphics[width = \linewidth]{./dualLinear.pdf}
 \caption{Example least squares regressions of the configuration energy
 differences for SPC/E water systems. The upper plot shows a data set
 with a poor correlation coefficient ($R^2$), while the lower plot
@@ -717,7 +717,7 @@ figure \ref{fig:delE}.
 
 \begin{figure}
 \centering
-\includegraphics[width=3.25in]{./delEplot.pdf}
+\includegraphics[width=5.5in]{./delEplot.pdf}
 \caption{Statistical analysis of the quality of configurational energy
 differences for a given electrostatic method compared with the
 reference Ewald sum.  Results with a value equal to 1 (dashed line)
@@ -777,7 +777,7 @@ accumulation of the statistics from all of the system 
 
 \begin{figure}
 \centering
-\includegraphics[width=3.25in]{./frcMagplot.pdf}
+\includegraphics[width=5.5in]{./frcMagplot.pdf}
 \caption{Statistical analysis of the quality of the force vector 
 magnitudes for a given electrostatic method compared with the
 reference Ewald sum.  Results with a value equal to 1 (dashed line)
@@ -816,7 +816,7 @@ performs more favorably.
 
 \begin{figure}
 \centering
-\includegraphics[width=3.25in]{./trqMagplot.pdf}
+\includegraphics[width=5.5in]{./trqMagplot.pdf}
 \caption{Statistical analysis of the quality of the torque vector 
 magnitudes for a given electrostatic method compared with the
 reference Ewald sum.  Results with a value equal to 1 (dashed line)
@@ -856,7 +856,7 @@ distributions of the combined set over all system type
 
 \begin{figure}
 \centering
-\includegraphics[width=3.25in]{./frcTrqAngplot.pdf}
+\includegraphics[width=5.5in]{./frcTrqAngplot.pdf}
 \caption{Statistical analysis of the width of the angular distribution
 that the force and torque vectors from a given electrostatic method
 make with their counterparts obtained using the reference Ewald sum.
@@ -991,7 +991,7 @@ low-frequency portion of the power spectrum.
 
 \begin{figure}
 \centering
-\includegraphics[width = 3.25in]{./vCorrPlot.pdf}
+\includegraphics[width = \linewidth]{./vCorrPlot.pdf}
 \caption{Velocity autocorrelation functions of NaCl crystals at 
 1000 K using {\sc spme}, {\sc sf} ($\alpha$ = 0.0, 0.1, \& 0.2), and {\sc
 sp} ($\alpha$ = 0.2). The inset is a magnification of the area around
@@ -1031,7 +1031,7 @@ noticeable effect on peak location or magnitude.
 
 \begin{figure}
 \centering
-\includegraphics[width = 3.25in]{./spectraSquare.pdf}
+\includegraphics[width = \linewidth]{./spectraSquare.pdf}
 \caption{Power spectra obtained from the velocity auto-correlation 
 functions of NaCl crystals at 1000 K while using {\sc spme}, {\sc sf}
 ($\alpha$ = 0, 0.1, \& 0.2), and {\sc sp} ($\alpha$ = 0.2).  The inset
@@ -1070,7 +1070,7 @@ cutoff distance.
 
 \begin{figure}
 \centering
-\includegraphics[width = 3.25in]{./increasedDamping.pdf}
+\includegraphics[width = \linewidth]{./increasedDamping.pdf}
 \caption{Effect of damping on the two lowest-frequency phonon modes in
 the NaCl crystal at 1000~K.  The undamped shifted force ({\sc sf})
 method is off by less than 10 cm$^{-1}$, and increasing the
