| blob | eceba5f029530c1bf129814bd96ca55d2707845e |
1 # Grace project file
2 #
3 @version 50114
4 @page size 792, 612
5 @page scroll 5%
6 @page inout 5%
7 @link page off
8 @map font 0 to "Times-Roman", "Times-Roman"
9 @map font 1 to "Times-Italic", "Times-Italic"
10 @map font 2 to "Times-Bold", "Times-Bold"
11 @map font 3 to "Times-BoldItalic", "Times-BoldItalic"
12 @map font 4 to "Helvetica", "Helvetica"
13 @map font 5 to "Helvetica-Oblique", "Helvetica-Oblique"
14 @map font 6 to "Helvetica-Bold", "Helvetica-Bold"
15 @map font 7 to "Helvetica-BoldOblique", "Helvetica-BoldOblique"
16 @map font 8 to "Courier", "Courier"
17 @map font 9 to "Courier-Oblique", "Courier-Oblique"
18 @map font 10 to "Courier-Bold", "Courier-Bold"
19 @map font 11 to "Courier-BoldOblique", "Courier-BoldOblique"
20 @map font 12 to "Symbol", "Symbol"
21 @map font 13 to "ZapfDingbats", "ZapfDingbats"
22 @map color 0 to (255, 255, 255), "white"
23 @map color 1 to (0, 0, 0), "black"
24 @map color 2 to (255, 0, 0), "red"
25 @map color 3 to (0, 255, 0), "green"
26 @map color 4 to (0, 0, 255), "blue"
27 @map color 5 to (255, 255, 0), "yellow"
28 @map color 6 to (188, 143, 143), "brown"
29 @map color 7 to (220, 220, 220), "grey"
30 @map color 8 to (148, 0, 211), "violet"
31 @map color 9 to (0, 255, 255), "cyan"
32 @map color 10 to (255, 0, 255), "magenta"
33 @map color 11 to (255, 165, 0), "orange"
34 @map color 12 to (114, 33, 188), "indigo"
35 @map color 13 to (103, 7, 72), "maroon"
36 @map color 14 to (64, 224, 208), "turquoise"
37 @map color 15 to (0, 139, 0), "green4"
38 @reference date 0
39 @date wrap off
40 @date wrap year 1950
41 @default linewidth 1.0
42 @default linestyle 1
43 @default color 1
44 @default pattern 1
45 @default font 4
46 @default char size 1.000000
47 @default symbol size 1.000000
48 @default sformat "%.8g"
49 @background color 0
50 @page background fill on
51 @timestamp off
52 @timestamp 0.03, 0.03
53 @timestamp color 1
54 @timestamp rot 0
55 @timestamp font 0
56 @timestamp char size 1.000000
57 @timestamp def "Thu Mar 30 17:09:08 2006"
58 @r0 off
59 @link r0 to g0
60 @r0 type above
61 @r0 linestyle 1
62 @r0 linewidth 1.0
63 @r0 color 1
64 @r0 line 0, 0, 0, 0
65 @r1 off
66 @link r1 to g0
67 @r1 type above
68 @r1 linestyle 1
69 @r1 linewidth 1.0
70 @r1 color 1
71 @r1 line 0, 0, 0, 0
72 @r2 off
73 @link r2 to g0
74 @r2 type above
75 @r2 linestyle 1
76 @r2 linewidth 1.0
77 @r2 color 1
78 @r2 line 0, 0, 0, 0
79 @r3 off
80 @link r3 to g0
81 @r3 type above
82 @r3 linestyle 1
83 @r3 linewidth 1.0
84 @r3 color 1
85 @r3 line 0, 0, 0, 0
86 @r4 off
87 @link r4 to g0
88 @r4 type above
89 @r4 linestyle 1
90 @r4 linewidth 1.0
91 @r4 color 1
92 @r4 line 0, 0, 0, 0
93 @g0 on
94 @g0 hidden false
95 @g0 type XY
96 @g0 stacked false
97 @g0 bar hgap 0.000000
98 @g0 fixedpoint off
99 @g0 fixedpoint type 0
100 @g0 fixedpoint xy 0.000000, 0.000000
101 @g0 fixedpoint format general general
102 @g0 fixedpoint prec 6, 6
103 @with g0
104 @ world xmin 0
105 @ world xmax 0.9
106 @ world ymin 0
107 @ world ymax 1500
108 @ stack world 0, 0, 0, 0
109 @ znorm 1
110 @ view xmin 0.160000
111 @ view xmax 1.245134
112 @ view ymin 0.150000
113 @ view ymax 0.950000
114 @ title ""
115 @ title font 4
116 @ title size 1.500000
117 @ title color 1
118 @ subtitle ""
119 @ subtitle font 4
120 @ subtitle size 1.000000
121 @ subtitle color 1
122 @ xaxes scale Normal
123 @ yaxes scale Normal
124 @ xaxes invert off
125 @ yaxes invert off
126 @ xaxis on
127 @ xaxis type zero false
128 @ xaxis offset 0.000000 , 0.000000
129 @ xaxis bar off
130 @ xaxis bar color 1
131 @ xaxis bar linestyle 1
132 @ xaxis bar linewidth 1.0
133 @ xaxis label "r (nm)"
134 @ xaxis label layout para
135 @ xaxis label place auto
136 @ xaxis label char size 1.480000
137 @ xaxis label font 4
138 @ xaxis label color 1
139 @ xaxis label place normal
140 @ xaxis tick on
141 @ xaxis tick major 0.2
142 @ xaxis tick minor ticks 3
143 @ xaxis tick default 6
144 @ xaxis tick place rounded true
145 @ xaxis tick in
146 @ xaxis tick major size 1.000000
147 @ xaxis tick major color 1
148 @ xaxis tick major linewidth 1.0
149 @ xaxis tick major linestyle 1
150 @ xaxis tick major grid off
151 @ xaxis tick minor color 1
152 @ xaxis tick minor linewidth 1.0
153 @ xaxis tick minor linestyle 1
154 @ xaxis tick minor grid off
155 @ xaxis tick minor size 0.500000
156 @ xaxis ticklabel on
157 @ xaxis ticklabel format decimal
158 @ xaxis ticklabel prec 1
159 @ xaxis ticklabel formula ""
160 @ xaxis ticklabel append ""
161 @ xaxis ticklabel prepend ""
162 @ xaxis ticklabel angle 0
163 @ xaxis ticklabel skip 0
164 @ xaxis ticklabel stagger 0
165 @ xaxis ticklabel place normal
166 @ xaxis ticklabel offset auto
167 @ xaxis ticklabel offset 0.000000 , 0.010000
168 @ xaxis ticklabel start type auto
169 @ xaxis ticklabel start 0.000000
170 @ xaxis ticklabel stop type auto
171 @ xaxis ticklabel stop 0.000000
172 @ xaxis ticklabel char size 1.230000
173 @ xaxis ticklabel font 4
174 @ xaxis ticklabel color 1
175 @ xaxis tick place both
176 @ xaxis tick spec type none
177 @ yaxis on
178 @ yaxis type zero false
179 @ yaxis offset 0.000000 , 0.000000
180 @ yaxis bar off
181 @ yaxis bar color 1
182 @ yaxis bar linestyle 1
183 @ yaxis bar linewidth 1.0
184 @ yaxis label "V\sc\N (kJ mol\S-1\N)"
185 @ yaxis label layout para
186 @ yaxis label place auto
187 @ yaxis label char size 1.480000
188 @ yaxis label font 4
189 @ yaxis label color 1
190 @ yaxis label place normal
191 @ yaxis tick on
192 @ yaxis tick major 500
193 @ yaxis tick minor ticks 4
194 @ yaxis tick default 6
195 @ yaxis tick place rounded true
196 @ yaxis tick in
197 @ yaxis tick major size 1.000000
198 @ yaxis tick major color 1
199 @ yaxis tick major linewidth 1.0
200 @ yaxis tick major linestyle 1
201 @ yaxis tick major grid off
202 @ yaxis tick minor color 1
203 @ yaxis tick minor linewidth 1.0
204 @ yaxis tick minor linestyle 1
205 @ yaxis tick minor grid off
206 @ yaxis tick minor size 0.500000
207 @ yaxis ticklabel on
208 @ yaxis ticklabel format decimal
209 @ yaxis ticklabel prec 0
210 @ yaxis ticklabel formula ""
211 @ yaxis ticklabel append ""
212 @ yaxis ticklabel prepend ""
213 @ yaxis ticklabel angle 0
214 @ yaxis ticklabel skip 0
215 @ yaxis ticklabel stagger 0
216 @ yaxis ticklabel place normal
217 @ yaxis ticklabel offset auto
218 @ yaxis ticklabel offset 0.000000 , 0.010000
219 @ yaxis ticklabel start type auto
220 @ yaxis ticklabel start 0.000000
221 @ yaxis ticklabel stop type auto
222 @ yaxis ticklabel stop 0.000000
223 @ yaxis ticklabel char size 1.230000
224 @ yaxis ticklabel font 4
225 @ yaxis ticklabel color 1
226 @ yaxis tick place both
227 @ yaxis tick spec type none
228 @ altxaxis off
229 @ altyaxis off
230 @ legend on
231 @ legend loctype view
232 @ legend 0.8, 0.85
233 @ legend box color 1
234 @ legend box pattern 1
235 @ legend box linewidth 1.0
236 @ legend box linestyle 1
237 @ legend box fill color 0
238 @ legend box fill pattern 1
239 @ legend font 4
240 @ legend char size 1.480000
241 @ legend color 1
242 @ legend length 8
243 @ legend vgap 2
244 @ legend hgap 1
245 @ legend invert false
246 @ frame type 0
247 @ frame linestyle 1
248 @ frame linewidth 1.0
249 @ frame color 1
250 @ frame pattern 1
251 @ frame background color 0
252 @ frame background pattern 0
253 @ s0 hidden false
254 @ s0 type xy
255 @ s0 symbol 0
256 @ s0 symbol size 1.000000
257 @ s0 symbol color 1
258 @ s0 symbol pattern 1
259 @ s0 symbol fill color 1
260 @ s0 symbol fill pattern 0
261 @ s0 symbol linewidth 1.0
262 @ s0 symbol linestyle 1
263 @ s0 symbol char 0
264 @ s0 symbol char font 4
265 @ s0 symbol skip 0
266 @ s0 line type 1
267 @ s0 line linestyle 1
268 @ s0 line linewidth 2.0
269 @ s0 line color 1
270 @ s0 line pattern 1
271 @ s0 baseline type 0
272 @ s0 baseline off
273 @ s0 dropline off
274 @ s0 fill type 0
275 @ s0 fill rule 0
276 @ s0 fill color 1
277 @ s0 fill pattern 1
278 @ s0 avalue off
279 @ s0 avalue type 2
280 @ s0 avalue char size 1.000000
281 @ s0 avalue font 4
282 @ s0 avalue color 1
283 @ s0 avalue rot 0
284 @ s0 avalue format general
285 @ s0 avalue prec 3
286 @ s0 avalue prepend ""
287 @ s0 avalue append ""
288 @ s0 avalue offset 0.000000 , 0.000000
289 @ s0 errorbar on
290 @ s0 errorbar place both
291 @ s0 errorbar color 1
292 @ s0 errorbar pattern 1
293 @ s0 errorbar size 1.000000
294 @ s0 errorbar linewidth 1.0
295 @ s0 errorbar linestyle 1
296 @ s0 errorbar riser linewidth 1.0
297 @ s0 errorbar riser linestyle 1
298 @ s0 errorbar riser clip off
299 @ s0 errorbar riser clip length 0.100000
300 @ s0 comment "vcrf.xvg"
301 @ s0 legend "Coulomb"
302 @ s1 hidden false
303 @ s1 type xy
304 @ s1 symbol 0
305 @ s1 symbol size 1.000000
306 @ s1 symbol color 4
307 @ s1 symbol pattern 1
308 @ s1 symbol fill color 4
309 @ s1 symbol fill pattern 0
310 @ s1 symbol linewidth 1.0
311 @ s1 symbol linestyle 1
312 @ s1 symbol char 0
313 @ s1 symbol char font 4
314 @ s1 symbol skip 0
315 @ s1 line type 1
316 @ s1 line linestyle 3
317 @ s1 line linewidth 2.0
318 @ s1 line color 4
319 @ s1 line pattern 1
320 @ s1 baseline type 0
321 @ s1 baseline off
322 @ s1 dropline off
323 @ s1 fill type 0
324 @ s1 fill rule 0
325 @ s1 fill color 1
326 @ s1 fill pattern 1
327 @ s1 avalue off
328 @ s1 avalue type 2
329 @ s1 avalue char size 1.000000
330 @ s1 avalue font 4
331 @ s1 avalue color 1
332 @ s1 avalue rot 0
333 @ s1 avalue format general
334 @ s1 avalue prec 3
335 @ s1 avalue prepend ""
336 @ s1 avalue append ""
337 @ s1 avalue offset 0.000000 , 0.000000
338 @ s1 errorbar on
339 @ s1 errorbar place both
340 @ s1 errorbar color 4
341 @ s1 errorbar pattern 1
342 @ s1 errorbar size 1.000000
343 @ s1 errorbar linewidth 1.0
344 @ s1 errorbar linestyle 1
345 @ s1 errorbar riser linewidth 1.0
346 @ s1 errorbar riser linestyle 1
347 @ s1 errorbar riser clip off
348 @ s1 errorbar riser clip length 0.100000
349 @ s1 comment "vcrf.xvg"
350 @ s1 legend "With RF"
351 @ s2 hidden false
352 @ s2 type xy
353 @ s2 symbol 0
354 @ s2 symbol size 1.000000
355 @ s2 symbol color 2
356 @ s2 symbol pattern 1
357 @ s2 symbol fill color 2
358 @ s2 symbol fill pattern 0
359 @ s2 symbol linewidth 1.0
360 @ s2 symbol linestyle 1
361 @ s2 symbol char 0
362 @ s2 symbol char font 4
363 @ s2 symbol skip 0
364 @ s2 line type 1
365 @ s2 line linestyle 2
366 @ s2 line linewidth 4.0
367 @ s2 line color 2
368 @ s2 line pattern 1
369 @ s2 baseline type 0
370 @ s2 baseline off
371 @ s2 dropline off
372 @ s2 fill type 0
373 @ s2 fill rule 0
374 @ s2 fill color 1
375 @ s2 fill pattern 1
376 @ s2 avalue off
377 @ s2 avalue type 2
378 @ s2 avalue char size 1.000000
379 @ s2 avalue font 4
380 @ s2 avalue color 1
381 @ s2 avalue rot 0
382 @ s2 avalue format general
383 @ s2 avalue prec 3
384 @ s2 avalue prepend ""
385 @ s2 avalue append ""
386 @ s2 avalue offset 0.000000 , 0.000000
387 @ s2 errorbar on
388 @ s2 errorbar place both
389 @ s2 errorbar color 2
390 @ s2 errorbar pattern 1
391 @ s2 errorbar size 1.000000
392 @ s2 errorbar linewidth 1.0
393 @ s2 errorbar linestyle 1
394 @ s2 errorbar riser linewidth 1.0
395 @ s2 errorbar riser linestyle 1
396 @ s2 errorbar riser clip off
397 @ s2 errorbar riser clip length 0.100000
398 @ s2 comment "vcrf.xvg"
399 @ s2 legend "RF - C"
400 @target G0.S0
401 @type xy
402 0.1 1380
403 0.108 1277.78
404 0.116 1189.66
405 0.124 1112.9
406 0.132 1045.45
407 0.14 985.714
408 0.148 932.432
409 0.156 884.615
410 0.164 841.463
411 0.172 802.326
412 0.18 766.667
413 0.188 734.043
414 0.196 704.082
415 0.204 676.471
416 0.212 650.943
417 0.22 627.273
418 0.228 605.263
419 0.236 584.746
420 0.244 565.574
421 0.252 547.619
422 0.26 530.769
423 0.268 514.925
424 0.276 500
425 0.284 485.915
426 0.292 472.603
427 0.3 460
428 0.308 448.052
429 0.316 436.709
430 0.324 425.926
431 0.332 415.663
432 0.34 405.882
433 0.348 396.552
434 0.356 387.64
435 0.364 379.121
436 0.372 370.968
437 0.38 363.158
438 0.388 355.67
439 0.396 348.485
440 0.404 341.584
441 0.412 334.951
442 0.42 328.571
443 0.428 322.43
444 0.436 316.514
445 0.444 310.811
446 0.452 305.31
447 0.46 300
448 0.468 294.872
449 0.476 289.916
450 0.484 285.124
451 0.492 280.488
452 0.5 276
453 0.508 271.654
454 0.516 267.442
455 0.524 263.359
456 0.532 259.398
457 0.54 255.556
458 0.548 251.825
459 0.556 248.201
460 0.564 244.681
461 0.572 241.259
462 0.58 237.931
463 0.588 234.694
464 0.596 231.544
465 0.604 228.477
466 0.612 225.49
467 0.62 222.581
468 0.628 219.745
469 0.636 216.981
470 0.644 214.286
471 0.652 211.656
472 0.66 209.091
473 0.668 206.587
474 0.676 204.142
475 0.684 201.754
476 0.692 199.422
477 0.7 197.143
478 0.708 194.915
479 0.716 192.737
480 0.724 190.608
481 0.732 188.525
482 0.74 186.486
483 0.748 184.492
484 0.756 182.54
485 0.764 180.628
486 0.772 178.756
487 0.78 176.923
488 0.788 175.127
489 0.796 173.367
490 0.804 171.642
491 0.812 169.951
492 0.82 168.293
493 0.828 166.667
494 0.836 165.072
495 0.844 163.507
496 0.852 161.972
497 0.86 160.465
498 0.868 158.986
499 0.876 157.534
500 0.884 156.109
501 0.892 154.709
502 0.9 153.333
503 &
504 @target G0.S1
505 @type xy
506 0.1 1380.93
507 0.108 1278.86
508 0.116 1190.9
509 0.124 1114.33
510 0.132 1047.07
511 0.14 987.534
512 0.148 934.466
513 0.156 886.875
514 0.164 843.96
515 0.172 805.072
516 0.18 769.675
517 0.188 737.324
518 0.196 707.648
519 0.204 680.334
520 0.212 655.116
521 0.22 631.766
522 0.228 610.089
523 0.236 589.917
524 0.244 571.101
525 0.252 553.515
526 0.26 537.045
527 0.268 521.594
528 0.276 507.072
529 0.284 493.404
530 0.292 480.519
531 0.3 468.356
532 0.308 456.859
533 0.316 445.98
534 0.324 435.672
535 0.332 425.896
536 0.34 416.615
537 0.348 407.795
538 0.356 399.407
539 0.364 391.422
540 0.372 383.816
541 0.38 376.564
542 0.388 369.647
543 0.396 363.044
544 0.404 356.737
545 0.412 350.711
546 0.42 344.949
547 0.428 339.437
548 0.436 334.163
549 0.444 329.113
550 0.452 324.278
551 0.46 319.645
552 0.468 315.206
553 0.476 310.952
554 0.484 306.873
555 0.492 302.961
556 0.5 299.21
557 0.508 295.613
558 0.516 292.161
559 0.524 288.851
560 0.532 285.675
561 0.54 282.628
562 0.548 279.706
563 0.556 276.902
564 0.564 274.213
565 0.572 271.635
566 0.58 269.163
567 0.588 266.793
568 0.596 264.522
569 0.604 262.347
570 0.612 260.263
571 0.62 258.269
572 0.628 256.36
573 0.636 254.535
574 0.644 252.79
575 0.652 251.124
576 0.66 249.533
577 0.668 248.015
578 0.676 246.568
579 0.684 245.191
580 0.692 243.88
581 0.7 242.635
582 0.708 241.453
583 0.716 240.333
584 0.724 239.273
585 0.732 238.271
586 0.74 237.327
587 0.748 236.437
588 0.756 235.602
589 0.764 234.82
590 0.772 234.089
591 0.78 233.408
592 0.788 232.776
593 0.796 232.193
594 0.804 231.656
595 0.812 231.165
596 0.82 230.719
597 0.828 230.317
598 0.836 229.958
599 0.844 229.642
600 0.852 229.366
601 0.86 229.131
602 0.868 228.935
603 0.876 228.779
604 0.884 228.66
605 0.892 228.579
606 0.9 228.535
607 &
608 @target G0.S2
609 @type xy
610 0.1 1152.39
611 0.108 1050.33
612 0.116 962.369
613 0.124 885.796
614 0.132 818.537
615 0.14 758.999
616 0.148 705.931
617 0.156 658.34
618 0.164 615.425
619 0.172 576.537
620 0.18 541.14
621 0.188 508.789
622 0.196 479.113
623 0.204 451.799
624 0.212 426.581
625 0.22 403.231
626 0.228 381.554
627 0.236 361.382
628 0.244 342.566
629 0.252 324.98
630 0.26 308.51
631 0.268 293.059
632 0.276 278.537
633 0.284 264.869
634 0.292 251.984
635 0.3 239.821
636 0.308 228.324
637 0.316 217.445
638 0.324 207.137
639 0.332 197.361
640 0.34 188.08
641 0.348 179.26
642 0.356 170.872
643 0.364 162.887
644 0.372 155.281
645 0.38 148.029
646 0.388 141.112
647 0.396 134.509
648 0.404 128.202
649 0.412 122.176
650 0.42 116.414
651 0.428 110.902
652 0.436 105.628
653 0.444 100.578
654 0.452 95.7426
655 0.46 91.1103
656 0.468 86.6713
657 0.476 82.4166
658 0.484 78.3376
659 0.492 74.4264
660 0.5 70.6754
661 0.508 67.0776
662 0.516 63.6265
663 0.524 60.3158
664 0.532 57.1399
665 0.54 54.0931
666 0.548 51.1705
667 0.556 48.3671
668 0.564 45.6784
669 0.572 43.1
670 0.58 40.6279
671 0.588 38.2583
672 0.596 35.9874
673 0.604 33.8119
674 0.612 31.7284
675 0.62 29.7339
676 0.628 27.8254
677 0.636 26.0002
678 0.644 24.2554
679 0.652 22.5887
680 0.66 20.9977
681 0.668 19.4799
682 0.676 18.0334
683 0.684 16.6559
684 0.692 15.3454
685 0.7 14.1002
686 0.708 12.9184
687 0.716 11.7982
688 0.724 10.738
689 0.732 9.73632
690 0.74 8.79152
691 0.748 7.9022
692 0.756 7.06697
693 0.764 6.28451
694 0.772 5.55355
695 0.78 4.87288
696 0.788 4.24131
697 0.796 3.65773
698 0.804 3.12106
699 0.812 2.63026
700 0.82 2.18435
701 0.828 1.78235
702 0.836 1.42336
703 0.844 1.10649
704 0.852 0.83089
705 0.86 0.595734
706 0.868 0.400235
707 0.876 0.243633
708 0.884 0.125193
709 0.892 0.0442096
710 0.9 2.84217e-14
711 &