# Grace project file # @version 50110 @page size 792, 612 @page scroll 5% @page inout 5% @link page off @map font 0 to "Times-Roman", "Times-Roman" @map font 1 to "Times-Italic", "Times-Italic" @map font 2 to "Times-Bold", "Times-Bold" @map font 3 to "Times-BoldItalic", "Times-BoldItalic" @map font 4 to "Helvetica", "Helvetica" @map font 5 to "Helvetica-Oblique", "Helvetica-Oblique" @map font 6 to "Helvetica-Bold", "Helvetica-Bold" @map font 7 to "Helvetica-BoldOblique", "Helvetica-BoldOblique" @map font 8 to "Courier", "Courier" @map font 9 to "Courier-Oblique", "Courier-Oblique" @map font 10 to "Courier-Bold", "Courier-Bold" @map font 11 to "Courier-BoldOblique", "Courier-BoldOblique" @map font 12 to "Symbol", "Symbol" @map font 13 to "ZapfDingbats", "ZapfDingbats" @map color 0 to (255, 255, 255), "white" @map color 1 to (0, 0, 0), "black" @map color 2 to (255, 0, 0), "red" @map color 3 to (0, 255, 0), "green" @map color 4 to (0, 0, 255), "blue" @map color 5 to (255, 255, 0), "yellow" @map color 6 to (188, 143, 143), "brown" @map color 7 to (220, 220, 220), "grey" @map color 8 to (148, 0, 211), "violet" @map color 9 to (0, 255, 255), "cyan" @map color 10 to (255, 0, 255), "magenta" @map color 11 to (255, 165, 0), "orange" @map color 12 to (114, 33, 188), "indigo" @map color 13 to (103, 7, 72), "maroon" @map color 14 to (64, 224, 208), "turquoise" @map color 15 to (0, 139, 0), "green4" @reference date 0 @date wrap off @date wrap year 1950 @default linewidth 1.0 @default linestyle 1 @default color 1 @default pattern 1 @default font 0 @default char size 1.000000 @default symbol size 1.000000 @default sformat "%.8g" @background color 0 @page background fill on @timestamp off @timestamp 0.03, 0.03 @timestamp color 1 @timestamp rot 0 @timestamp font 0 @timestamp char size 1.000000 @timestamp def "Thu May 8 16:06:50 2003" @r0 off @link r0 to g0 @r0 type above @r0 linestyle 1 @r0 linewidth 1.0 @r0 color 1 @r0 line 0, 0, 0, 0 @r1 off @link r1 to g0 @r1 type above @r1 linestyle 1 @r1 linewidth 1.0 @r1 color 1 @r1 line 0, 0, 0, 0 @r2 off @link r2 to g0 @r2 type above @r2 linestyle 1 @r2 linewidth 1.0 @r2 color 1 @r2 line 0, 0, 0, 0 @r3 off @link r3 to g0 @r3 type above @r3 linestyle 1 @r3 linewidth 1.0 @r3 color 1 @r3 line 0, 0, 0, 0 @r4 off @link r4 to g0 @r4 type above @r4 linestyle 1 @r4 linewidth 1.0 @r4 color 1 @r4 line 0, 0, 0, 0 @g0 on @g0 hidden false @g0 type XY @g0 stacked false @g0 bar hgap 0.000000 @g0 fixedpoint off @g0 fixedpoint type 0 @g0 fixedpoint xy 0.000000, 0.000000 @g0 fixedpoint format general general @g0 fixedpoint prec 6, 6 @with g0 @ world xmin 1 @ world xmax 3.1 @ world ymin -100 @ world ymax 4 @ stack world 0, 0, 0, 0 @ znorm 1 @ view xmin 0.150000 @ view xmax 1.150000 @ view ymin 0.150000 @ view ymax 0.850000 @ title "Smooth Particle-Mesh Ewald method accuracy" @ title font 0 @ title size 1.500000 @ title color 1 @ subtitle "Box size: 3.5nm" @ subtitle font 0 @ subtitle size 1.000000 @ subtitle color 1 @ xaxes scale Normal @ yaxes scale Normal @ xaxes invert off @ yaxes invert off @ xaxis on @ xaxis type zero false @ xaxis offset 0.000000 , 0.000000 @ xaxis bar on @ xaxis bar color 1 @ xaxis bar linestyle 1 @ xaxis bar linewidth 1.0 @ xaxis label "Distance between ions (along the diagonal) [nm]" @ xaxis label layout para @ xaxis label place auto @ xaxis label char size 1.000000 @ xaxis label font 0 @ xaxis label color 1 @ xaxis label place normal @ xaxis tick on @ xaxis tick major 0.25 @ xaxis tick minor ticks 1 @ xaxis tick default 6 @ xaxis tick place rounded true @ xaxis tick in @ xaxis tick major size 1.000000 @ xaxis tick major color 1 @ xaxis tick major linewidth 1.0 @ xaxis tick major linestyle 1 @ xaxis tick major grid off @ xaxis tick minor color 1 @ xaxis tick minor linewidth 1.0 @ xaxis tick minor linestyle 1 @ xaxis tick minor grid off @ xaxis tick minor size 0.500000 @ xaxis ticklabel on @ xaxis ticklabel format general @ xaxis ticklabel prec 5 @ xaxis ticklabel formula "" @ xaxis ticklabel append "" @ xaxis ticklabel prepend "" @ xaxis ticklabel angle 0 @ xaxis ticklabel skip 0 @ xaxis ticklabel stagger 0 @ xaxis ticklabel place normal @ xaxis ticklabel offset auto @ xaxis ticklabel offset 0.000000 , 0.010000 @ xaxis ticklabel start type auto @ xaxis ticklabel start 0.000000 @ xaxis ticklabel stop type auto @ xaxis ticklabel stop 0.000000 @ xaxis ticklabel char size 1.000000 @ xaxis ticklabel font 0 @ xaxis ticklabel color 1 @ xaxis tick place both @ xaxis tick spec type none @ yaxis on @ yaxis type zero false @ yaxis offset 0.000000 , 0.000000 @ yaxis bar on @ yaxis bar color 1 @ yaxis bar linestyle 1 @ yaxis bar linewidth 1.0 @ yaxis label "Electrostatic force [kJ/(mol.nm)]" @ yaxis label layout para @ yaxis label place auto @ yaxis label char size 1.000000 @ yaxis label font 0 @ yaxis label color 1 @ yaxis label place normal @ yaxis tick on @ yaxis tick major 20 @ yaxis tick minor ticks 1 @ yaxis tick default 6 @ yaxis tick place rounded true @ yaxis tick in @ yaxis tick major size 1.000000 @ yaxis tick major color 1 @ yaxis tick major linewidth 1.0 @ yaxis tick major linestyle 1 @ yaxis tick major grid off @ yaxis tick minor color 1 @ yaxis tick minor linewidth 1.0 @ yaxis tick minor linestyle 1 @ yaxis tick minor grid off @ yaxis tick minor size 0.500000 @ yaxis ticklabel on @ yaxis ticklabel format general @ yaxis ticklabel prec 5 @ yaxis ticklabel formula "" @ yaxis ticklabel append "" @ yaxis ticklabel prepend "" @ yaxis ticklabel angle 0 @ yaxis ticklabel skip 0 @ yaxis ticklabel stagger 0 @ yaxis ticklabel place normal @ yaxis ticklabel offset auto @ yaxis ticklabel offset 0.000000 , 0.010000 @ yaxis ticklabel start type auto @ yaxis ticklabel start 0.000000 @ yaxis ticklabel stop type auto @ yaxis ticklabel stop 0.000000 @ yaxis ticklabel char size 1.000000 @ yaxis ticklabel font 0 @ yaxis ticklabel color 1 @ yaxis tick place both @ yaxis tick spec type none @ altxaxis off @ altyaxis off @ legend on @ legend loctype view @ legend 0.45, 0.4 @ legend box color 1 @ legend box pattern 1 @ legend box linewidth 1.0 @ legend box linestyle 1 @ legend box fill color 0 @ legend box fill pattern 1 @ legend font 0 @ legend char size 1.000000 @ legend color 1 @ legend length 4 @ legend vgap 1 @ legend hgap 1 @ legend invert false @ frame type 0 @ frame linestyle 1 @ frame linewidth 1.0 @ frame color 1 @ frame pattern 1 @ frame background color 0 @ frame background pattern 0 @ s0 hidden false @ s0 type xy @ s0 symbol 0 @ s0 symbol size 1.000000 @ s0 symbol color 15 @ s0 symbol pattern 1 @ s0 symbol fill color 15 @ s0 symbol fill pattern 0 @ s0 symbol linewidth 1.0 @ s0 symbol linestyle 1 @ s0 symbol char 65 @ s0 symbol char font 0 @ s0 symbol skip 0 @ s0 line type 1 @ s0 line linestyle 1 @ s0 line linewidth 1.0 @ s0 line color 15 @ s0 line pattern 1 @ s0 baseline type 0 @ s0 baseline off @ s0 dropline off @ s0 fill type 0 @ s0 fill rule 0 @ s0 fill color 1 @ s0 fill pattern 1 @ s0 avalue off @ s0 avalue type 2 @ s0 avalue char size 1.000000 @ s0 avalue font 0 @ s0 avalue color 1 @ s0 avalue rot 0 @ s0 avalue format general @ s0 avalue prec 3 @ s0 avalue prepend "" @ s0 avalue append "" @ s0 avalue offset 0.000000 , 0.000000 @ s0 errorbar on @ s0 errorbar place both @ s0 errorbar color 15 @ s0 errorbar pattern 1 @ s0 errorbar size 1.000000 @ s0 errorbar linewidth 1.0 @ s0 errorbar linestyle 1 @ s0 errorbar riser linewidth 1.0 @ s0 errorbar riser linestyle 1 @ s0 errorbar riser clip off @ s0 errorbar riser clip length 0.100000 @ s0 comment "copy of set G0.S7" @ s0 legend "PME, fourier_spacing=0.1 (grid 35), pme_order 4" @ s3 hidden false @ s3 type xy @ s3 symbol 0 @ s3 symbol size 1.000000 @ s3 symbol color 4 @ s3 symbol pattern 1 @ s3 symbol fill color 4 @ s3 symbol fill pattern 0 @ s3 symbol linewidth 1.0 @ s3 symbol linestyle 1 @ s3 symbol char 65 @ s3 symbol char font 0 @ s3 symbol skip 0 @ s3 line type 1 @ s3 line linestyle 1 @ s3 line linewidth 1.0 @ s3 line color 4 @ s3 line pattern 1 @ s3 baseline type 0 @ s3 baseline off @ s3 dropline off @ s3 fill type 0 @ s3 fill rule 0 @ s3 fill color 1 @ s3 fill pattern 1 @ s3 avalue off @ s3 avalue type 2 @ s3 avalue char size 1.000000 @ s3 avalue font 0 @ s3 avalue color 1 @ s3 avalue rot 0 @ s3 avalue format general @ s3 avalue prec 3 @ s3 avalue prepend "" @ s3 avalue append "" @ s3 avalue offset 0.000000 , 0.000000 @ s3 errorbar on @ s3 errorbar place both @ s3 errorbar color 4 @ s3 errorbar pattern 1 @ s3 errorbar size 1.000000 @ s3 errorbar linewidth 1.0 @ s3 errorbar linestyle 1 @ s3 errorbar riser linewidth 1.0 @ s3 errorbar riser linestyle 1 @ s3 errorbar riser clip off @ s3 errorbar riser clip length 0.100000 @ s3 comment "/home/vcb25/GROMACS/vincent/SIMULATIONS_bulk/Vide/PME_LLL/standard_PME6" @ s3 legend "PME, fourier_spacing=0.1 (grid 35), pme_order 6" @ s4 hidden false @ s4 type xy @ s4 symbol 0 @ s4 symbol size 1.000000 @ s4 symbol color 2 @ s4 symbol pattern 1 @ s4 symbol fill color 2 @ s4 symbol fill pattern 0 @ s4 symbol linewidth 1.0 @ s4 symbol linestyle 1 @ s4 symbol char 65 @ s4 symbol char font 0 @ s4 symbol skip 0 @ s4 line type 1 @ s4 line linestyle 4 @ s4 line linewidth 1.0 @ s4 line color 2 @ s4 line pattern 1 @ s4 baseline type 0 @ s4 baseline off @ s4 dropline off @ s4 fill type 0 @ s4 fill rule 0 @ s4 fill color 1 @ s4 fill pattern 1 @ s4 avalue off @ s4 avalue type 2 @ s4 avalue char size 1.000000 @ s4 avalue font 0 @ s4 avalue color 1 @ s4 avalue rot 0 @ s4 avalue format general @ s4 avalue prec 3 @ s4 avalue prepend "" @ s4 avalue append "" @ s4 avalue offset 0.000000 , 0.000000 @ s4 errorbar on @ s4 errorbar place both @ s4 errorbar color 2 @ s4 errorbar pattern 1 @ s4 errorbar size 1.000000 @ s4 errorbar linewidth 1.0 @ s4 errorbar linestyle 1 @ s4 errorbar riser linewidth 1.0 @ s4 errorbar riser linestyle 1 @ s4 errorbar riser clip off @ s4 errorbar riser clip length 0.100000 @ s4 comment "/home/vcb25/GROMACS/vincent/SIMULATIONS/Vide/LLL/Ewald35.dat" @ s4 legend "classical Ewald method" @target G0.S0 @type xy 0.349874 -1130.5699 0.377587 -971.146 0.4053 -843.23102 0.429548 -750.71503 0.457261 -661.85251 0.484974 -586.841 0.512687 -522.46149 0.5404 -466.974 0.568113 -420.08801 0.592361 -384.96301 0.620074 -350.41 0.647787 -320.78699 0.6755 -295.17149 0.703212 -272.76901 0.727461 -255.257 0.755174 -237.088 0.782887 -220.381 0.8106 -204.679 0.838313 -189.603 0.866025 -174.852 0.890274 -162.84399 0.917987 -150.998 0.9457 -140.98599 0.973412 -132.50301 1.00113 -125.27 1.02537 -119.738 1.05309 -114.061 1.0808 -108.794 1.10851 -103.6585 1.13623 -98.398003 1.16047 -93.512001 1.18819 -87.435497 1.2159 -80.712997 1.24361 -74.532997 1.27133 -69.598 1.29904 -65.761002 1.32329 -63.157001 1.351 -60.849499 1.37871 -59.028999 1.40643 -57.451 1.43414 -55.868999 1.45839 -54.297001 1.4861 -52.085999 1.51381 -49.248001 1.54153 -45.626999 1.56924 -41.264 1.59695 -37.630001 1.6212 -35.313999 1.64891 -33.526001 1.67663 -32.484001 1.70434 -31.9805 1.73205 -31.790001 1.7563 -31.693501 1.78401 -31.451 1.81173 -30.851999 1.83944 -29.687 1.86715 -27.775999 1.8914 -25.382 1.91911 -22 1.94683 -19.424999 1.97454 -17.823999 2.00225 -17.052999 2.02996 -16.929001 2.05421 -17.188 2.08193 -17.6995 2.10964 -18.2175 2.13735 -18.509501 2.16506 -18.354 2.18931 -17.693501 2.21703 -16.184999 2.24474 -13.749 2.27245 -10.8925 2.30016 -8.995 2.32788 -8.014 2.35212 -7.788 2.37984 -8.086 2.40755 -8.772 2.43526 -9.6205 2.46298 -10.397 2.48723 -10.838 2.51494 -10.873 2.54265 -10.221 2.57036 -8.72 2.59808 -6.251 2.62232 -4.043 2.65004 -2.454 2.67775 -1.753 2.70546 -1.781 2.73318 -2.347 2.76089 -3.235 2.78514 -4.096 2.81285 -4.968 2.84056 -5.5 2.86828 -5.4805 2.89599 -4.721 2.92024 -3.3285 2.94795 -0.823 2.97566 1.442 3.00338 2.7385 3.03109 3.191 & @target G0.S3 @type xy 0.349874 -1130.354 0.377587 -969.56702 0.4053 -840.54602 0.429548 -747.4635 0.457261 -658.60303 0.484974 -584.45398 0.512687 -521.92798 0.5404 -468.716 0.568113 -423.06349 0.592361 -388.24301 0.620074 -353.33301 0.647787 -322.79901 0.6755 -295.936 0.703212 -272.17099 0.727461 -253.545 0.755174 -234.383 0.782887 -217.1775 0.8106 -201.659 0.838313 -187.608 0.866025 -174.84801 0.890274 -164.62801 0.917987 -153.896 0.9457 -144.135 0.973412 -135.205 1.00113 -127.0175 1.02537 -120.398 1.05309 -113.386 1.0808 -106.896 1.10851 -100.867 1.13623 -95.244503 1.16047 -90.625999 1.18819 -85.662003 1.2159 -81.014 1.24361 -76.668999 1.27133 -72.617496 1.29904 -68.844002 1.32329 -65.757004 1.351 -62.452 1.37871 -59.362 1.40643 -56.459999 1.43414 -53.720001 1.45839 -51.437 1.4861 -48.943001 1.51381 -46.560001 1.54153 -44.284 1.56924 -42.118 1.59695 -40.07 1.6212 -38.379501 1.64891 -36.564999 1.67663 -34.869999 1.70434 -33.283001 1.73205 -31.790001 1.7563 -30.546 1.78401 -29.181 1.81173 -27.864 1.83944 -26.584 1.86715 -25.337 1.8914 -24.275999 1.91911 -23.106001 1.94683 -21.9945 1.97454 -20.951 2.00225 -19.98 2.02996 -19.077 2.05421 -18.334999 2.08193 -17.532 2.10964 -16.763 2.13735 -16.014 2.16506 -15.274 2.18931 -14.628 2.21703 -13.892 2.24474 -13.164 2.27245 -12.456 2.30016 -11.783 2.32788 -11.156 2.35212 -10.646 2.37984 -10.105 2.40755 -9.6 2.43526 -9.12 2.46298 -8.651 2.48723 -8.24 2.51494 -7.761 2.54265 -7.268 2.57036 -6.7615 2.59808 -6.251 2.62232 -5.811 2.65004 -5.332 2.67775 -4.885 2.70546 -4.4735 2.73318 -4.093 2.76089 -3.736 2.78514 -3.431 2.81285 -3.083 2.84056 -2.721 2.86828 -2.339 2.89599 -1.932 2.92024 -1.56 2.94795 -1.124 2.97566 -0.691 3.00338 -0.277 3.03109 0.111 & @target G0.S4 @type xy 0.599289 -379.17401 0.661643 -309.00601 0.720533 -258.62601 0.782887 -217.06599 0.841777 -185.896 0.90413 -159.19099 0.96302 -138.57001 1.02191 -121.348 1.08426 -106.04 1.14315 -93.791 1.20551 -82.706001 1.2644 -73.695999 1.32675 -65.427002 1.38564 -58.619999 1.44799 -52.304001 1.50688 -47.054001 1.56924 -42.139 1.62813 -38.021 1.69048 -34.138 1.74937 -30.863001 1.81173 -27.754 1.87061 -25.115999 1.93297 -22.598 1.99186 -20.447001 2.05075 -18.49 2.1131 -16.605 2.17199 -14.979 2.23435 -13.399 2.29324 -12.026 2.35559 -10.68 2.41448 -9.498 2.47683 -8.329 2.53572 -7.29 2.59808 -6.251 2.65697 -5.316 2.71932 -4.368 2.77821 -3.505 2.84056 -2.617 2.89945 -1.797 2.95834 -0.989 &