2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
4 <File Name="EnergyFile">
5 <Sequence Name="EnergyTerms">
6 <Int Name="Length">113</Int>
8 <String Name="Name">LJ-14</String>
9 <String Name="Units">kJ/mol</String>
12 <String Name="Name">Coulomb-14</String>
13 <String Name="Units">kJ/mol</String>
16 <String Name="Name">LJ (SR)</String>
17 <String Name="Units">kJ/mol</String>
20 <String Name="Name">Disper. corr.</String>
21 <String Name="Units">kJ/mol</String>
24 <String Name="Name">Coulomb (SR)</String>
25 <String Name="Units">kJ/mol</String>
28 <String Name="Name">Coul. recip.</String>
29 <String Name="Units">kJ/mol</String>
32 <String Name="Name">LJ recip.</String>
33 <String Name="Units">kJ/mol</String>
36 <String Name="Name">COM Pull En.</String>
37 <String Name="Units">kJ/mol</String>
40 <String Name="Name">Potential</String>
41 <String Name="Units">kJ/mol</String>
44 <String Name="Name">Kinetic En.</String>
45 <String Name="Units">kJ/mol</String>
48 <String Name="Name">Total Energy</String>
49 <String Name="Units">kJ/mol</String>
52 <String Name="Name">Conserved En.</String>
53 <String Name="Units">kJ/mol</String>
56 <String Name="Name">Temperature</String>
57 <String Name="Units">K</String>
60 <String Name="Name">Pres. DC</String>
61 <String Name="Units">bar</String>
64 <String Name="Name">Pressure</String>
65 <String Name="Units">bar</String>
68 <String Name="Name">dVremain/dl</String>
69 <String Name="Units">kJ/mol</String>
72 <String Name="Name">dEkin/dl</String>
73 <String Name="Units">kJ/mol</String>
76 <String Name="Name">dVcoul/dl</String>
77 <String Name="Units">kJ/mol</String>
80 <String Name="Name">dVvdw/dl</String>
81 <String Name="Units">kJ/mol</String>
84 <String Name="Name">dVbonded/dl</String>
85 <String Name="Units">kJ/mol</String>
88 <String Name="Name">dVrestraint/dl</String>
89 <String Name="Units">kJ/mol</String>
92 <String Name="Name">Constr. rmsd</String>
93 <String Name="Units"></String>
96 <String Name="Name">Box-X</String>
97 <String Name="Units">nm</String>
100 <String Name="Name">Box-Y</String>
101 <String Name="Units">nm</String>
104 <String Name="Name">Box-Z</String>
105 <String Name="Units">nm</String>
108 <String Name="Name">Volume</String>
109 <String Name="Units">nm^3</String>
112 <String Name="Name">Density</String>
113 <String Name="Units">kg/m^3</String>
116 <String Name="Name">pV</String>
117 <String Name="Units">kJ/mol</String>
120 <String Name="Name">Enthalpy</String>
121 <String Name="Units">kJ/mol</String>
124 <String Name="Name">ShakeVir-XX</String>
125 <String Name="Units">kJ/mol</String>
128 <String Name="Name">ShakeVir-XY</String>
129 <String Name="Units">kJ/mol</String>
132 <String Name="Name">ShakeVir-XZ</String>
133 <String Name="Units">kJ/mol</String>
136 <String Name="Name">ShakeVir-YX</String>
137 <String Name="Units">kJ/mol</String>
140 <String Name="Name">ShakeVir-YY</String>
141 <String Name="Units">kJ/mol</String>
144 <String Name="Name">ShakeVir-YZ</String>
145 <String Name="Units">kJ/mol</String>
148 <String Name="Name">ShakeVir-ZX</String>
149 <String Name="Units">kJ/mol</String>
152 <String Name="Name">ShakeVir-ZY</String>
153 <String Name="Units">kJ/mol</String>
156 <String Name="Name">ShakeVir-ZZ</String>
157 <String Name="Units">kJ/mol</String>
160 <String Name="Name">ForceVir-XX</String>
161 <String Name="Units">kJ/mol</String>
164 <String Name="Name">ForceVir-XY</String>
165 <String Name="Units">kJ/mol</String>
168 <String Name="Name">ForceVir-XZ</String>
169 <String Name="Units">kJ/mol</String>
172 <String Name="Name">ForceVir-YX</String>
173 <String Name="Units">kJ/mol</String>
176 <String Name="Name">ForceVir-YY</String>
177 <String Name="Units">kJ/mol</String>
180 <String Name="Name">ForceVir-YZ</String>
181 <String Name="Units">kJ/mol</String>
184 <String Name="Name">ForceVir-ZX</String>
185 <String Name="Units">kJ/mol</String>
188 <String Name="Name">ForceVir-ZY</String>
189 <String Name="Units">kJ/mol</String>
192 <String Name="Name">ForceVir-ZZ</String>
193 <String Name="Units">kJ/mol</String>
196 <String Name="Name">Vir-XX</String>
197 <String Name="Units">kJ/mol</String>
200 <String Name="Name">Vir-XY</String>
201 <String Name="Units">kJ/mol</String>
204 <String Name="Name">Vir-XZ</String>
205 <String Name="Units">kJ/mol</String>
208 <String Name="Name">Vir-YX</String>
209 <String Name="Units">kJ/mol</String>
212 <String Name="Name">Vir-YY</String>
213 <String Name="Units">kJ/mol</String>
216 <String Name="Name">Vir-YZ</String>
217 <String Name="Units">kJ/mol</String>
220 <String Name="Name">Vir-ZX</String>
221 <String Name="Units">kJ/mol</String>
224 <String Name="Name">Vir-ZY</String>
225 <String Name="Units">kJ/mol</String>
228 <String Name="Name">Vir-ZZ</String>
229 <String Name="Units">kJ/mol</String>
232 <String Name="Name">Pres-XX</String>
233 <String Name="Units">bar</String>
236 <String Name="Name">Pres-XY</String>
237 <String Name="Units">bar</String>
240 <String Name="Name">Pres-XZ</String>
241 <String Name="Units">bar</String>
244 <String Name="Name">Pres-YX</String>
245 <String Name="Units">bar</String>
248 <String Name="Name">Pres-YY</String>
249 <String Name="Units">bar</String>
252 <String Name="Name">Pres-YZ</String>
253 <String Name="Units">bar</String>
256 <String Name="Name">Pres-ZX</String>
257 <String Name="Units">bar</String>
260 <String Name="Name">Pres-ZY</String>
261 <String Name="Units">bar</String>
264 <String Name="Name">Pres-ZZ</String>
265 <String Name="Units">bar</String>
268 <String Name="Name">#Surf*SurfTen</String>
269 <String Name="Units">bar nm</String>
272 <String Name="Name">Box-Vel-XX</String>
273 <String Name="Units">nm/ps</String>
276 <String Name="Name">Box-Vel-YY</String>
277 <String Name="Units">nm/ps</String>
280 <String Name="Name">Box-Vel-ZZ</String>
281 <String Name="Units">nm/ps</String>
284 <String Name="Name">Mu-X</String>
285 <String Name="Units">D</String>
288 <String Name="Name">Mu-Y</String>
289 <String Name="Units">D</String>
292 <String Name="Name">Mu-Z</String>
293 <String Name="Units">D</String>
296 <String Name="Name">2CosZ*Vel-X</String>
297 <String Name="Units">nm/ps</String>
300 <String Name="Name">1/Viscosity</String>
301 <String Name="Units">m s/kg</String>
304 <String Name="Name">Coul-SR:Protein-Protein</String>
305 <String Name="Units">kJ/mol</String>
308 <String Name="Name">LJ-SR:Protein-Protein</String>
309 <String Name="Units">kJ/mol</String>
312 <String Name="Name">Coul-14:Protein-Protein</String>
313 <String Name="Units">kJ/mol</String>
316 <String Name="Name">LJ-14:Protein-Protein</String>
317 <String Name="Units">kJ/mol</String>
320 <String Name="Name">Coul-SR:Protein-Water</String>
321 <String Name="Units">kJ/mol</String>
324 <String Name="Name">LJ-SR:Protein-Water</String>
325 <String Name="Units">kJ/mol</String>
328 <String Name="Name">Coul-14:Protein-Water</String>
329 <String Name="Units">kJ/mol</String>
332 <String Name="Name">LJ-14:Protein-Water</String>
333 <String Name="Units">kJ/mol</String>
336 <String Name="Name">Coul-SR:Protein-Lipid</String>
337 <String Name="Units">kJ/mol</String>
340 <String Name="Name">LJ-SR:Protein-Lipid</String>
341 <String Name="Units">kJ/mol</String>
344 <String Name="Name">Coul-14:Protein-Lipid</String>
345 <String Name="Units">kJ/mol</String>
348 <String Name="Name">LJ-14:Protein-Lipid</String>
349 <String Name="Units">kJ/mol</String>
352 <String Name="Name">Coul-SR:Water-Water</String>
353 <String Name="Units">kJ/mol</String>
356 <String Name="Name">LJ-SR:Water-Water</String>
357 <String Name="Units">kJ/mol</String>
360 <String Name="Name">Coul-14:Water-Water</String>
361 <String Name="Units">kJ/mol</String>
364 <String Name="Name">LJ-14:Water-Water</String>
365 <String Name="Units">kJ/mol</String>
368 <String Name="Name">Coul-SR:Water-Lipid</String>
369 <String Name="Units">kJ/mol</String>
372 <String Name="Name">LJ-SR:Water-Lipid</String>
373 <String Name="Units">kJ/mol</String>
376 <String Name="Name">Coul-14:Water-Lipid</String>
377 <String Name="Units">kJ/mol</String>
380 <String Name="Name">LJ-14:Water-Lipid</String>
381 <String Name="Units">kJ/mol</String>
384 <String Name="Name">Coul-SR:Lipid-Lipid</String>
385 <String Name="Units">kJ/mol</String>
388 <String Name="Name">LJ-SR:Lipid-Lipid</String>
389 <String Name="Units">kJ/mol</String>
392 <String Name="Name">Coul-14:Lipid-Lipid</String>
393 <String Name="Units">kJ/mol</String>
396 <String Name="Name">LJ-14:Lipid-Lipid</String>
397 <String Name="Units">kJ/mol</String>
400 <String Name="Name">T-Protein</String>
401 <String Name="Units">K</String>
404 <String Name="Name">T-Water</String>
405 <String Name="Units">K</String>
408 <String Name="Name">T-Lipid</String>
409 <String Name="Units">K</String>
412 <String Name="Name">Xi-Protein</String>
413 <String Name="Units">1/ps</String>
416 <String Name="Name">vXi-Protein</String>
417 <String Name="Units">1/ps</String>
420 <String Name="Name">Xi-Water</String>
421 <String Name="Units">1/ps</String>
424 <String Name="Name">vXi-Water</String>
425 <String Name="Units">1/ps</String>
428 <String Name="Name">Xi-Lipid</String>
429 <String Name="Units">1/ps</String>
432 <String Name="Name">vXi-Lipid</String>
433 <String Name="Units">1/ps</String>
436 <String Name="Name">Ux-Protein</String>
437 <String Name="Units">nm/ps</String>
440 <String Name="Name">Uy-Protein</String>
441 <String Name="Units">nm/ps</String>
444 <String Name="Name">Uz-Protein</String>
445 <String Name="Units">nm/ps</String>
448 <String Name="Name">Ux-Lipid</String>
449 <String Name="Units">nm/ps</String>
452 <String Name="Name">Uy-Lipid</String>
453 <String Name="Units">nm/ps</String>
456 <String Name="Name">Uz-Lipid</String>
457 <String Name="Units">nm/ps</String>
460 <Sequence Name="Frames">
461 <Int Name="Length">1</Int>
463 <Real Name="Time">10.1</Real>
464 <Real Name="Timestep">0.001</Real>
465 <String Name="Step">0</String>
466 <String Name="NumSteps">0</String>
467 <Sequence Name="EnergyTerms">
468 <Int Name="Length">113</Int>
470 <String Name="Name">LJ-14</String>
471 <Real Name="Value">11.499999999999995</Real>
474 <String Name="Name">Coulomb-14</String>
475 <Real Name="Value">11.599999999999994</Real>
478 <String Name="Name">LJ (SR)</String>
479 <Real Name="Value">10.299999999999999</Real>
482 <String Name="Name">Disper. corr.</String>
483 <Real Name="Value">12.499999999999991</Real>
486 <String Name="Name">Coulomb (SR)</String>
487 <Real Name="Value">10.399999999999999</Real>
490 <String Name="Name">Coul. recip.</String>
491 <Real Name="Value">11.299999999999995</Real>
494 <String Name="Name">LJ recip.</String>
495 <Real Name="Value">11.399999999999995</Real>
498 <String Name="Name">COM Pull En.</String>
499 <Real Name="Value">12.89999999999999</Real>
502 <String Name="Name">Potential</String>
503 <Real Name="Value">10.499999999999998</Real>
506 <String Name="Name">Kinetic En.</String>
507 <Real Name="Value">10.599999999999998</Real>
510 <String Name="Name">Total Energy</String>
511 <Real Name="Value">10.699999999999998</Real>
514 <String Name="Name">Conserved En.</String>
515 <Real Name="Value">12.999999999999989</Real>
518 <String Name="Name">Temperature</String>
519 <Real Name="Value">10.799999999999997</Real>
522 <String Name="Name">Pres. DC</String>
523 <Real Name="Value">12.599999999999991</Real>
526 <String Name="Name">Pressure</String>
527 <Real Name="Value">10.899999999999997</Real>
530 <String Name="Name">dVremain/dl</String>
531 <Real Name="Value">12.399999999999991</Real>
534 <String Name="Name">dEkin/dl</String>
535 <Real Name="Value">12.299999999999992</Real>
538 <String Name="Name">dVcoul/dl</String>
539 <Real Name="Value">11.899999999999993</Real>
542 <String Name="Name">dVvdw/dl</String>
543 <Real Name="Value">11.999999999999993</Real>
546 <String Name="Name">dVbonded/dl</String>
547 <Real Name="Value">12.099999999999993</Real>
550 <String Name="Name">dVrestraint/dl</String>
551 <Real Name="Value">12.199999999999992</Real>
554 <String Name="Name">Constr. rmsd</String>
555 <Real Name="Value">0</Real>
558 <String Name="Name">Box-X</String>
559 <Real Name="Value">19.900000000000034</Real>
562 <String Name="Name">Box-Y</String>
563 <Real Name="Value">20.30000000000004</Real>
566 <String Name="Name">Box-Z</String>
567 <Real Name="Value">20.700000000000045</Real>
570 <String Name="Name">Volume</String>
571 <Real Name="Value">8362.1790000000492</Real>
574 <String Name="Name">Density</String>
575 <Real Name="Value">0.0020254884515387549</Real>
578 <String Name="Name">pV</String>
579 <Real Name="Value">0</Real>
582 <String Name="Name">Enthalpy</String>
583 <Real Name="Value">10.699999999999998</Real>
586 <String Name="Name">ShakeVir-XX</String>
587 <Real Name="Value">20.800000000000047</Real>
590 <String Name="Name">ShakeVir-XY</String>
591 <Real Name="Value">20.900000000000048</Real>
594 <String Name="Name">ShakeVir-XZ</String>
595 <Real Name="Value">21.00000000000005</Real>
598 <String Name="Name">ShakeVir-YX</String>
599 <Real Name="Value">21.100000000000051</Real>
602 <String Name="Name">ShakeVir-YY</String>
603 <Real Name="Value">21.200000000000053</Real>
606 <String Name="Name">ShakeVir-YZ</String>
607 <Real Name="Value">21.300000000000054</Real>
610 <String Name="Name">ShakeVir-ZX</String>
611 <Real Name="Value">21.400000000000055</Real>
614 <String Name="Name">ShakeVir-ZY</String>
615 <Real Name="Value">21.500000000000057</Real>
618 <String Name="Name">ShakeVir-ZZ</String>
619 <Real Name="Value">21.600000000000058</Real>
622 <String Name="Name">ForceVir-XX</String>
623 <Real Name="Value">21.70000000000006</Real>
626 <String Name="Name">ForceVir-XY</String>
627 <Real Name="Value">21.800000000000061</Real>
630 <String Name="Name">ForceVir-XZ</String>
631 <Real Name="Value">21.900000000000063</Real>
634 <String Name="Name">ForceVir-YX</String>
635 <Real Name="Value">22.000000000000064</Real>
638 <String Name="Name">ForceVir-YY</String>
639 <Real Name="Value">22.100000000000065</Real>
642 <String Name="Name">ForceVir-YZ</String>
643 <Real Name="Value">22.200000000000067</Real>
646 <String Name="Name">ForceVir-ZX</String>
647 <Real Name="Value">22.300000000000068</Real>
650 <String Name="Name">ForceVir-ZY</String>
651 <Real Name="Value">22.40000000000007</Real>
654 <String Name="Name">ForceVir-ZZ</String>
655 <Real Name="Value">22.500000000000071</Real>
658 <String Name="Name">Vir-XX</String>
659 <Real Name="Value">22.600000000000072</Real>
662 <String Name="Name">Vir-XY</String>
663 <Real Name="Value">22.700000000000074</Real>
666 <String Name="Name">Vir-XZ</String>
667 <Real Name="Value">22.800000000000075</Real>
670 <String Name="Name">Vir-YX</String>
671 <Real Name="Value">22.900000000000077</Real>
674 <String Name="Name">Vir-YY</String>
675 <Real Name="Value">23.000000000000078</Real>
678 <String Name="Name">Vir-YZ</String>
679 <Real Name="Value">23.10000000000008</Real>
682 <String Name="Name">Vir-ZX</String>
683 <Real Name="Value">23.200000000000081</Real>
686 <String Name="Name">Vir-ZY</String>
687 <Real Name="Value">23.300000000000082</Real>
690 <String Name="Name">Vir-ZZ</String>
691 <Real Name="Value">23.400000000000084</Real>
694 <String Name="Name">Pres-XX</String>
695 <Real Name="Value">23.500000000000085</Real>
698 <String Name="Name">Pres-XY</String>
699 <Real Name="Value">23.600000000000087</Real>
702 <String Name="Name">Pres-XZ</String>
703 <Real Name="Value">23.700000000000088</Real>
706 <String Name="Name">Pres-YX</String>
707 <Real Name="Value">23.80000000000009</Real>
710 <String Name="Name">Pres-YY</String>
711 <Real Name="Value">23.900000000000091</Real>
714 <String Name="Name">Pres-YZ</String>
715 <Real Name="Value">24.000000000000092</Real>
718 <String Name="Name">Pres-ZX</String>
719 <Real Name="Value">24.100000000000094</Real>
722 <String Name="Name">Pres-ZY</String>
723 <Real Name="Value">24.200000000000095</Real>
726 <String Name="Name">Pres-ZZ</String>
727 <Real Name="Value">24.300000000000097</Real>
730 <String Name="Name">#Surf*SurfTen</String>
731 <Real Name="Value">12.420000000000204</Real>
734 <String Name="Name">Box-Vel-XX</String>
735 <Real Name="Value">24.700000000000102</Real>
738 <String Name="Name">Box-Vel-YY</String>
739 <Real Name="Value">25.100000000000108</Real>
742 <String Name="Name">Box-Vel-ZZ</String>
743 <Real Name="Value">25.500000000000114</Real>
746 <String Name="Name">Mu-X</String>
747 <Real Name="Value">24.400000000000098</Real>
750 <String Name="Name">Mu-Y</String>
751 <Real Name="Value">24.500000000000099</Real>
754 <String Name="Name">Mu-Z</String>
755 <Real Name="Value">24.600000000000101</Real>
758 <String Name="Name">2CosZ*Vel-X</String>
759 <Real Name="Value">18.90000000000002</Real>
762 <String Name="Name">1/Viscosity</String>
763 <Real Name="Value">45729160.574543945</Real>
766 <String Name="Name">Coul-SR:Protein-Protein</String>
767 <Real Name="Value">13.099999999999989</Real>
770 <String Name="Name">LJ-SR:Protein-Protein</String>
771 <Real Name="Value">13.199999999999989</Real>
774 <String Name="Name">Coul-14:Protein-Protein</String>
775 <Real Name="Value">13.399999999999988</Real>
778 <String Name="Name">LJ-14:Protein-Protein</String>
779 <Real Name="Value">13.499999999999988</Real>
782 <String Name="Name">Coul-SR:Protein-Water</String>
783 <Real Name="Value">13.599999999999987</Real>
786 <String Name="Name">LJ-SR:Protein-Water</String>
787 <Real Name="Value">13.699999999999987</Real>
790 <String Name="Name">Coul-14:Protein-Water</String>
791 <Real Name="Value">13.899999999999986</Real>
794 <String Name="Name">LJ-14:Protein-Water</String>
795 <Real Name="Value">13.999999999999986</Real>
798 <String Name="Name">Coul-SR:Protein-Lipid</String>
799 <Real Name="Value">14.099999999999985</Real>
802 <String Name="Name">LJ-SR:Protein-Lipid</String>
803 <Real Name="Value">14.199999999999985</Real>
806 <String Name="Name">Coul-14:Protein-Lipid</String>
807 <Real Name="Value">14.399999999999984</Real>
810 <String Name="Name">LJ-14:Protein-Lipid</String>
811 <Real Name="Value">14.499999999999984</Real>
814 <String Name="Name">Coul-SR:Water-Water</String>
815 <Real Name="Value">15.099999999999982</Real>
818 <String Name="Name">LJ-SR:Water-Water</String>
819 <Real Name="Value">15.199999999999982</Real>
822 <String Name="Name">Coul-14:Water-Water</String>
823 <Real Name="Value">15.399999999999981</Real>
826 <String Name="Name">LJ-14:Water-Water</String>
827 <Real Name="Value">15.49999999999998</Real>
830 <String Name="Name">Coul-SR:Water-Lipid</String>
831 <Real Name="Value">15.59999999999998</Real>
834 <String Name="Name">LJ-SR:Water-Lipid</String>
835 <Real Name="Value">15.69999999999998</Real>
838 <String Name="Name">Coul-14:Water-Lipid</String>
839 <Real Name="Value">15.899999999999979</Real>
842 <String Name="Name">LJ-14:Water-Lipid</String>
843 <Real Name="Value">15.999999999999979</Real>
846 <String Name="Name">Coul-SR:Lipid-Lipid</String>
847 <Real Name="Value">17.099999999999994</Real>
850 <String Name="Name">LJ-SR:Lipid-Lipid</String>
851 <Real Name="Value">17.199999999999996</Real>
854 <String Name="Name">Coul-14:Lipid-Lipid</String>
855 <Real Name="Value">17.399999999999999</Real>
858 <String Name="Name">LJ-14:Lipid-Lipid</String>
859 <Real Name="Value">17.5</Real>
862 <String Name="Name">T-Protein</String>
863 <Real Name="Value">17.600000000000001</Real>
866 <String Name="Name">T-Water</String>
867 <Real Name="Value">17.800000000000004</Real>
870 <String Name="Name">T-Lipid</String>
871 <Real Name="Value">18.000000000000007</Real>
874 <String Name="Name">Xi-Protein</String>
875 <Real Name="Value">25.900000000000119</Real>
878 <String Name="Name">vXi-Protein</String>
879 <Real Name="Value">26.000000000000121</Real>
882 <String Name="Name">Xi-Water</String>
883 <Real Name="Value">26.100000000000122</Real>
886 <String Name="Name">vXi-Water</String>
887 <Real Name="Value">26.200000000000124</Real>
890 <String Name="Name">Xi-Lipid</String>
891 <Real Name="Value">26.300000000000125</Real>
894 <String Name="Name">vXi-Lipid</String>
895 <Real Name="Value">26.400000000000126</Real>
898 <String Name="Name">Ux-Protein</String>
899 <Real Name="Value">18.20000000000001</Real>
902 <String Name="Name">Uy-Protein</String>
903 <Real Name="Value">18.300000000000011</Real>
906 <String Name="Name">Uz-Protein</String>
907 <Real Name="Value">18.400000000000013</Real>
910 <String Name="Name">Ux-Lipid</String>
911 <Real Name="Value">18.500000000000014</Real>
914 <String Name="Name">Uy-Lipid</String>
915 <Real Name="Value">18.600000000000016</Real>
918 <String Name="Name">Uz-Lipid</String>
919 <Real Name="Value">18.700000000000017</Real>
925 <Int Name="Number of Energy Terms">113</Int>
926 <String Name="log">Current ref_t for group Water: 25.7
927 Current ref_t for group Lipid: 25.8
930 LJ-14 Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR)
931 1.15000e+01 1.16000e+01 1.03000e+01 1.25000e+01 1.04000e+01
932 Coul. recip. LJ recip. COM Pull En. Potential Kinetic En.
933 1.13000e+01 1.14000e+01 1.29000e+01 1.05000e+01 1.06000e+01
934 Total Energy Conserved En. Temperature Pres. DC (bar) Pressure (bar)
935 1.07000e+01 1.30000e+01 1.08000e+01 1.26000e+01 1.09000e+01
936 dVremain/dl dEkin/dl dVcoul/dl dVvdw/dl dVbonded/dl
937 1.24000e+01 1.23000e+01 1.19000e+01 1.20000e+01 1.21000e+01
938 dVrestraint/dl Constr. rmsd
939 1.22000e+01 0.00000e+00
941 Current ref_t for group Water: 25.7
942 Current ref_t for group Lipid: 25.8
944 <====== ############### ==>
945 <==== A V E R A G E S ====>
946 <== ############### ======>
948 Statistics over 1 steps using 1 frames
951 LJ-14 Coulomb-14 LJ (SR) Disper. corr. Coulomb (SR)
952 1.15000e+01 1.16000e+01 1.03000e+01 1.25000e+01 1.04000e+01
953 Coul. recip. LJ recip. COM Pull En. Potential Kinetic En.
954 1.13000e+01 1.14000e+01 1.29000e+01 1.05000e+01 1.06000e+01
955 Total Energy Conserved En. Temperature Pres. DC (bar) Pressure (bar)
956 1.07000e+01 1.30000e+01 1.08000e+01 1.26000e+01 1.09000e+01
957 dVremain/dl dEkin/dl dVcoul/dl dVvdw/dl dVbonded/dl
958 1.24000e+01 1.23000e+01 1.19000e+01 1.20000e+01 1.21000e+01
959 dVrestraint/dl Constr. rmsd
960 1.22000e+01 0.00000e+00
963 1.99000e+01 2.03000e+01 2.07000e+01
965 Constraint Virial (kJ/mol)
966 2.08000e+01 2.09000e+01 2.10000e+01
967 2.11000e+01 2.12000e+01 2.13000e+01
968 2.14000e+01 2.15000e+01 2.16000e+01
970 Force Virial (kJ/mol)
971 2.17000e+01 2.18000e+01 2.19000e+01
972 2.20000e+01 2.21000e+01 2.22000e+01
973 2.23000e+01 2.24000e+01 2.25000e+01
975 Total Virial (kJ/mol)
976 2.26000e+01 2.27000e+01 2.28000e+01
977 2.29000e+01 2.30000e+01 2.31000e+01
978 2.32000e+01 2.33000e+01 2.34000e+01
981 2.35000e+01 2.36000e+01 2.37000e+01
982 2.38000e+01 2.39000e+01 2.40000e+01
983 2.41000e+01 2.42000e+01 2.43000e+01
986 2.44000e+01 2.45000e+01 2.46000e+01
988 Epot (kJ/mol) Coul-SR LJ-SR Coul-14 LJ-14
989 Protein-Protein 1.31000e+01 1.32000e+01 1.34000e+01 1.35000e+01
990 Protein-Water 1.36000e+01 1.37000e+01 1.39000e+01 1.40000e+01
991 Protein-Lipid 1.41000e+01 1.42000e+01 1.44000e+01 1.45000e+01
992 Water-Water 1.51000e+01 1.52000e+01 1.54000e+01 1.55000e+01
993 Water-Lipid 1.56000e+01 1.57000e+01 1.59000e+01 1.60000e+01
994 Lipid-Lipid 1.71000e+01 1.72000e+01 1.74000e+01 1.75000e+01
996 T-Protein T-Water T-Lipid
997 1.76000e+01 1.78000e+01 1.80000e+01
1000 Protein 1.82000e+01 1.83000e+01 1.84000e+01
1001 Lipid 1.85000e+01 1.86000e+01 1.87000e+01