--- trunk/iceiPaper/iceiPaper.tex	2004/09/17 14:16:25	1472
+++ trunk/iceiPaper/iceiPaper.tex	2004/09/17 14:56:05	1474
@@ -276,11 +276,13 @@ antiferroelectric version that has an 8 molecule unit
 $I_h$, was investigated initially, but was found to be not as stable
 as proton disordered or antiferroelectric variants of ice $I_h$. The
 proton ordered variant of ice $I_h$ used here is a simple
-antiferroelectric version that has an 8 molecule unit
-cell.\cite{Davidson84} The crystals contained 648 or 1728 molecules
-for ice B, 1024 or 1280 molecules for ice $I_h$, 1000 molecules for
-ice $I_c$, or 1024 molecules for Ice-{\it i}. The larger crystal sizes
-were necessary for simulations involving larger cutoff values.
+antiferroelectric version that we divised, and it has an 8 molecule
+unit cell similar to other predicted antiferroelectric $I_h$
+crystals.\cite{Davidson84} The crystals contained 648 or 1728
+molecules for ice B, 1024 or 1280 molecules for ice $I_h$, 1000
+molecules for ice $I_c$, or 1024 molecules for Ice-{\it i}. The larger
+crystal sizes were necessary for simulations involving larger cutoff
+values.
 
 \begin{table*}
 \begin{minipage}{\linewidth}
@@ -295,12 +297,12 @@ TIP3P & -11.41(4) & -11.23(6) & -11.82(5) & -12.30(5)\
 \hline 
 Water Model & $I_h$ & $I_c$ & B & Ice-{\it i}\\
 \hline 
-TIP3P & -11.41(4) & -11.23(6) & -11.82(5) & -12.30(5)\\
-TIP4P & -11.84(5) & -12.04(4) & -12.08(6) & -12.33(6)\\
-TIP5P & -11.85(5) & -11.86(4) & -11.96(4) & -12.29(4)\\
-SPC/E & -12.67(3) & -12.96(3) & -13.25(5) & -13.55(3)\\
-SSD/E & -11.27(3) & -11.19(8) & -12.09(4) & -12.54(4)\\
-SSD/RF & -11.51(4) & NA* & -12.08(5) & -12.29(4)\\
+TIP3P & -11.41(2) & -11.23(3) & -11.82(3) & -12.30(3)\\
+TIP4P & -11.84(3) & -12.04(2) & -12.08(3) & -12.33(3)\\
+TIP5P & -11.85(3) & -11.86(2) & -11.96(2) & -12.29(2)\\
+SPC/E & -12.67(2) & -12.96(2) & -13.25(3) & -13.55(2)\\
+SSD/E & -11.27(2) & -11.19(4) & -12.09(2) & -12.54(2)\\
+SSD/RF & -11.51(2) & NA* & -12.08(3) & -12.29(2)\\
 \end{tabular}
 \label{freeEnergy}
 \end{center}
@@ -356,9 +358,9 @@ $T_m$ (K)  & 269(8) & 266(10) & 271(7) & 296(5) & - & 
 \hline 
 Equilibria Point & TIP3P & TIP4P & TIP5P & SPC/E & SSD/E & SSD/RF & Exp.\\
 \hline 
-$T_m$ (K)  & 269(8) & 266(10) & 271(7) & 296(5) & - & 278(7) & 273\\
-$T_b$ (K)  & 357(2) & 354(3) & 337(3) & 396(4) & - & 348(3) & 373\\
-$T_s$ (K)  & - & - & - & - & 355(3) & - & -\\
+$T_m$ (K)  & 269(4) & 266(5) & 271(4) & 296(3) & - & 278(4) & 273\\
+$T_b$ (K)  & 357(2) & 354(2) & 337(2) & 396(2) & - & 348(2) & 373\\
+$T_s$ (K)  & - & - & - & - & 355(2) & - & -\\
 \end{tabular}
 \label{meltandboil}
 \end{center}
@@ -429,13 +431,13 @@ stable polymorph.  The free energies of Ice-{\it i} an
 for both the TIP3P and SPC/E water models; however, the narrowing of
 the free energy differences between the various solid forms is
 significant enough that it becomes less clear that it is the most
-stable polymorph.  The free energies of Ice-{\it i} and ice B overlap
-within error, with ice $I_c$ just outside, indicating that Ice-{\it i}
-might be metastable with respect to ice B and possibly ice $I_c$ in
-the SPC/E water model. However, these results do not significantly
-alter the finding that the Ice-{\it i} polymorph is a stable crystal
-structure that should be considered when studying the phase behavior
-of water models.
+stable polymorph with the SPC/E model.  The free energies of Ice-{\it
+i} and ice B nearly overlap within error, with ice $I_c$ just outside
+as well, indicating that Ice-{\it i} might be metastable with respect
+to ice B and possibly ice $I_c$ with SPC/E. However, these results do
+not significantly alter the finding that the Ice-{\it i} polymorph is
+a stable crystal structure that should be considered when studying the
+phase behavior of water models.
 
 \begin{table*}
 \begin{minipage}{\linewidth}
@@ -448,8 +450,8 @@ TIP3P  & -11.53(4) & -11.24(6) & -11.51(5) & -11.67(5)
 \hline 
 \ \ Water Model \ \ & \ \ \ \ \ $I_h$ \ \ & \ \ \ \ \ $I_c$ \ \ & \ \quad \ \ \ \ B \ \ & \ \ \ \ \ Ice-{\it i} \ \ \\
 \hline 
-TIP3P  & -11.53(4) & -11.24(6) & -11.51(5) & -11.67(5)\\
-SPC/E  & -12.77(3) & -12.92(3) & -12.96(5) & -13.02(3)\\
+TIP3P  & -11.53(2) & -11.24(3) & -11.51(3) & -11.67(3)\\
+SPC/E  & -12.77(2) & -12.92(2) & -12.96(3) & -13.02(2)\\
 \end{tabular}
 \label{pmeShift}
 \end{center}
