--- trunk/iceiPaper/iceiPaper.tex 2004/12/01 17:35:14 1812 +++ trunk/iceiPaper/iceiPaper.tex 2004/12/01 17:44:08 1814 @@ -118,8 +118,8 @@ down the (001) crystal face. The rows of water tetrame \begin{figure} \includegraphics[width=\linewidth]{orderedIcei.eps} \caption{Image of a proton ordered crystal of Ice-{\it i} looking -down the (001) crystal face. The rows of water tetramers surrounded by -octagonal pores leads to a crystal structure that is significantly +down the (001) crystal face. The rows of water tetramers surrounded +by octagonal pores leads to a crystal structure that is significantly less dense than ice $I_h$.} \label{protOrder} \end{figure} @@ -231,7 +231,7 @@ body-frame {\it z}-axis. $K_\theta$ and $K_\omega$ are \caption{Possible orientational motions for a restrained molecule. $\theta$ angles correspond to displacement from the body-frame {\it z}-axis, while $\omega$ angles correspond to rotation about the -body-frame {\it z}-axis. $K_\theta$ and $K_\omega$ are spring +body-frame {\it z}-axis. $K_\theta$ and $K_\omega$ are spring constants for the harmonic springs restraining motion in the $\theta$ and $\omega$ directions.} \label{waterSpring} @@ -293,9 +293,9 @@ variety of common water models. All calculations used \begin{center} \caption{Calculated free energies for several ice polymorphs with a -variety of common water models. All calculations used a cutoff radius -of 9 \AA\ and were performed at 200 K and $\sim$1 atm. Units are -kcal/mol. Calculated error of the final digits is in parentheses.} +variety of common water models. All calculations used a cutoff radius +of 9 \AA\ and were performed at 200 K and $\sim$1 atm. Units are +kcal/mol. Calculated error of the final digits is in parentheses.} \begin{tabular}{lcccc} \hline @@ -406,8 +406,9 @@ with TIP3P using 12 and 13.5 \AA\ cutoff radii were om cutoff radius and show some degree of converge at large cutoff radii. Inclusion of a long-range correction reduces the cutoff radius dependence of the free energy for all the models. Data for ice I$_c$ -with TIP3P using 12 and 13.5 \AA\ cutoff radii were omitted being that -the crystal was prone to distortion and melting at 200 K.} +with TIP3P using both 12 and 13.5 \AA\ cutoffs were omitted because +the crystal was prone to distortion and melting at 200 K. Ice-{\it +i}$^\prime$ is the form of Ice-{\it i} used in the SPC/E simulations.} \label{incCutoff} \end{figure}