RNA models for: Demo4-07d8682d (Demo4)
GCCGAGUAGUGUUGGGUCGCGAAAGGC
n steps: 1000 (~ n of SimRNA frames: 1000, curr n of frames 1000 = 100.0%) Dec. 24, 2023, 2:33 p.m.
The best score and representatives of up to five top clusters from your simulation:
- Best score Demo4-07d8682d_sim_minE_TOTAL-000001_AA.pdb
- #1 cluster Demo4-07d8682d_sim_thrs2.80A_clust01-000001_AA.pdb
- #2 cluster Demo4-07d8682d_sim_thrs2.80A_clust02-000001_AA.pdb
- #3 cluster Demo4-07d8682d_sim_thrs2.80A_clust03-000001_AA.pdb
- #4 cluster Demo4-07d8682d_sim_thrs2.80A_clust04-000001_AA.pdb
- #5 cluster Demo4-07d8682d_sim_thrs2.80A_clust05-000001_AA.pdb
The trajectory file for the simulation can be found here (the file might be > 1GB!).
The raw output files for each step of the pipeline can be found here
Best score model:
Demo4-07d8682dJmol._Canvas2D (Jmol) "jmolApplet0"[x]
1st cluster representative:
Jmol._Canvas2D (Jmol) "jmolApplet1"[x]
2nd cluster representative:
Jmol._Canvas2D (Jmol) "jmolApplet2"[x]
The log of the data processing.
Job log: SimRNA (c) 2009-2024 Genesilico, ver. 3.33
.reading parameteres
before entireStruct->initialize(input)
reading input pdb file: /home/smoafinejad/SimRNP/test/SIMULATIONS/Demo4-07d8682d/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 27 residues
chain 'A' is classfied as RNA
number of RNA chain(s) to be parsed: 1
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 27 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
DONE
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
RNAStructure::tertiaryStrcWeight = 1.000000
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 0, chainIndex_2: 0, nuclIndex_2 : 26 , with interaction type: GC_WWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 1, chainIndex_2: 0, nuclIndex_2 : 25 , with interaction type: CG_WWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2 : 24 , with interaction type: CG_WWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 8, chainIndex_2: 0, nuclIndex_2 : 19 , with interaction type: GC_WWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 9, chainIndex_2: 0, nuclIndex_2 : 18 , with interaction type: UG_WWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 10, chainIndex_2: 0, nuclIndex_2 : 17 , with interaction type: GC_WWc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2 : 23 , with interaction type: GA_SHt
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2 : 22 , with interaction type: AA_HHt
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2 : 6 , with interaction type: GU_SHc
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2 : 21 , with interaction type: UA_WHt
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2 : 20 , with interaction type: AG_HSt
3D structure restraint added:
chainIndex_1: 0, nuclIndex_1: 11, chainIndex_2: 0, nuclIndex_2 : 15 , with interaction type: UG_WWt
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
random seed = 1
number of iterations = 1600000
trajectory write in every 1600 iterations
initTemp = 1.350
finalTemp = 0.900
tempStep = -2.812500e-07
DONE
.calculating
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -274.319703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.319703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.342096 (E_RNA)
where:
Base-Base interactions energy: -178.442
where: short stacking energy: -77.995
Base-Backbone interact. energy: -5.654
local terms energy: -90.245543
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 2
Temperature: 1.349550
Total energy: -274.833295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.833295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.855688 (E_RNA)
where:
Base-Base interactions energy: -179.245
where: short stacking energy: -78.574
Base-Backbone interact. energy: -5.654
local terms energy: -89.956068
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -17.807
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 3
Temperature: 1.349100
Total energy: -212.215442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.215442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.455695 (E_RNA)
where:
Base-Base interactions energy: -148.737
where: short stacking energy: -69.947
Base-Backbone interact. energy: -1.567
local terms energy: -67.151241
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -9.650
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 5.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 4
Temperature: 1.348650
Total energy: -215.942779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.942779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.106978 (E_RNA)
where:
Base-Base interactions energy: -145.836
where: short stacking energy: -58.697
Base-Backbone interact. energy: 0.324
local terms energy: -72.595605
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -7.485
flat angles C4'-P-C4' energy: -19.631
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -18.352
Dist. restrs. and SS energy: 2.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 5
Temperature: 1.348200
Total energy: -221.226685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.820988 (E_RNA)
where:
Base-Base interactions energy: -145.339
where: short stacking energy: -55.919
Base-Backbone interact. energy: -0.196
local terms energy: -77.286302
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 1.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 6
Temperature: 1.347750
Total energy: -200.140020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.140020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.247686 (E_RNA)
where:
Base-Base interactions energy: -139.041
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.654
local terms energy: -67.552827
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -10.499
Dist. restrs. and SS energy: 7.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 7
Temperature: 1.347300
Total energy: -198.366423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.366423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.919014 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.576
local terms energy: -67.442549
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 4.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 8
Temperature: 1.346850
Total energy: -196.865587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.865587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.881123 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -66.005
Base-Backbone interact. energy: 0.788
local terms energy: -66.694488
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -9.134
Dist. restrs. and SS energy: 7.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 9
Temperature: 1.346400
Total energy: -222.810820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.810820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.233293 (E_RNA)
where:
Base-Base interactions energy: -160.959
where: short stacking energy: -62.864
Base-Backbone interact. energy: -0.444
local terms energy: -66.830149
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 5.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 10
Temperature: 1.345950
Total energy: -213.334686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.334686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.672803 (E_RNA)
where:
Base-Base interactions energy: -137.191
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.040
local terms energy: -79.441064
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 3.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 11
Temperature: 1.345500
Total energy: -211.239321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.239321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.684138 (E_RNA)
where:
Base-Base interactions energy: -153.161
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.203
local terms energy: -61.319991
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 3.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 12
Temperature: 1.345050
Total energy: -209.908070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.908070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.369803 (E_RNA)
where:
Base-Base interactions energy: -154.537
where: short stacking energy: -65.023
Base-Backbone interact. energy: -0.092
local terms energy: -62.740220
where:
bonds (distance) C4'-P energy: -6.891
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 7.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 13
Temperature: 1.344600
Total energy: -205.917793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.917793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.148687 (E_RNA)
where:
Base-Base interactions energy: -138.334
where: short stacking energy: -70.315
Base-Backbone interact. energy: -0.301
local terms energy: -71.513459
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 4.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 14
Temperature: 1.344150
Total energy: -180.573840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.573840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.111311 (E_RNA)
where:
Base-Base interactions energy: -131.258
where: short stacking energy: -58.139
Base-Backbone interact. energy: 0.802
local terms energy: -57.654707
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 7.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 15
Temperature: 1.343700
Total energy: -189.921875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.921875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.516814 (E_RNA)
where:
Base-Base interactions energy: -125.707
where: short stacking energy: -58.175
Base-Backbone interact. energy: -0.309
local terms energy: -71.501028
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 7.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 16
Temperature: 1.343250
Total energy: -197.539591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.539591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426379 (E_RNA)
where:
Base-Base interactions energy: -137.191
where: short stacking energy: -55.051
Base-Backbone interact. energy: 0.242
local terms energy: -67.477676
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 6.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 17
Temperature: 1.342800
Total energy: -185.443338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.443338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.657293 (E_RNA)
where:
Base-Base interactions energy: -122.848
where: short stacking energy: -48.051
Base-Backbone interact. energy: -0.149
local terms energy: -68.660810
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -21.638
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -9.625
Dist. restrs. and SS energy: 6.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 18
Temperature: 1.342350
Total energy: -173.536816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.536816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.002660 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -50.373
Base-Backbone interact. energy: -0.218
local terms energy: -56.150030
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 7.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 19
Temperature: 1.341900
Total energy: -197.531136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.531136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.570286 (E_RNA)
where:
Base-Base interactions energy: -130.419
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.277
local terms energy: -72.874782
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 6.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 20
Temperature: 1.341450
Total energy: -199.076604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.076604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.165232 (E_RNA)
where:
Base-Base interactions energy: -149.219
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.193
local terms energy: -54.752847
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 5.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 21
Temperature: 1.341000
Total energy: -207.504428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.504428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.336562 (E_RNA)
where:
Base-Base interactions energy: -141.510
where: short stacking energy: -60.426
Base-Backbone interact. energy: 3.094
local terms energy: -73.919891
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 4.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 22
Temperature: 1.340550
Total energy: -211.718387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.718387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.621841 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -63.253
Base-Backbone interact. energy: 1.732
local terms energy: -81.806446
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 7.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 23
Temperature: 1.340100
Total energy: -204.237488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.237488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.520668 (E_RNA)
where:
Base-Base interactions energy: -141.538
where: short stacking energy: -55.268
Base-Backbone interact. energy: -0.659
local terms energy: -66.324123
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 4.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 24
Temperature: 1.339650
Total energy: -210.632663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.632663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.686462 (E_RNA)
where:
Base-Base interactions energy: -144.954
where: short stacking energy: -64.361
Base-Backbone interact. energy: 5.847
local terms energy: -75.579366
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -16.078
Dist. restrs. and SS energy: 4.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 25
Temperature: 1.339200
Total energy: -201.707934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.707934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.740333 (E_RNA)
where:
Base-Base interactions energy: -136.431
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.083
local terms energy: -71.226989
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 6.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 26
Temperature: 1.338750
Total energy: -231.464792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.464792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.001353 (E_RNA)
where:
Base-Base interactions energy: -166.421
where: short stacking energy: -76.529
Base-Backbone interact. energy: 0.633
local terms energy: -71.212877
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 5.537 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 27
Temperature: 1.338300
Total energy: -222.677051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.677051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.664987 (E_RNA)
where:
Base-Base interactions energy: -153.678
where: short stacking energy: -67.004
Base-Backbone interact. energy: -0.070
local terms energy: -74.917139
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 5.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 28
Temperature: 1.337850
Total energy: -235.262966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.262966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.361845 (E_RNA)
where:
Base-Base interactions energy: -166.100
where: short stacking energy: -77.715
Base-Backbone interact. energy: -1.131
local terms energy: -71.131580
where:
bonds (distance) C4'-P energy: -2.759
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 3.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 29
Temperature: 1.337400
Total energy: -247.715588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.715588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.434368 (E_RNA)
where:
Base-Base interactions energy: -176.020
where: short stacking energy: -88.775
Base-Backbone interact. energy: -0.015
local terms energy: -74.398793
where:
bonds (distance) C4'-P energy: -6.796
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 30
Temperature: 1.336950
Total energy: -234.814210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.814210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.748166 (E_RNA)
where:
Base-Base interactions energy: -156.749
where: short stacking energy: -72.707
Base-Backbone interact. energy: -2.624
local terms energy: -78.375597
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 2.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 31
Temperature: 1.336500
Total energy: -233.458377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.458377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.671012 (E_RNA)
where:
Base-Base interactions energy: -158.205
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.149
local terms energy: -81.317432
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 6.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 32
Temperature: 1.336050
Total energy: -235.631646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.631646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.987689 (E_RNA)
where:
Base-Base interactions energy: -168.380
where: short stacking energy: -81.379
Base-Backbone interact. energy: -0.101
local terms energy: -71.506547
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 4.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 33
Temperature: 1.335600
Total energy: -235.645519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.645519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.838357 (E_RNA)
where:
Base-Base interactions energy: -161.683
where: short stacking energy: -71.274
Base-Backbone interact. energy: -0.111
local terms energy: -76.043811
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 2.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 34
Temperature: 1.335150
Total energy: -240.197210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.197210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.944842 (E_RNA)
where:
Base-Base interactions energy: -158.081
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.447
local terms energy: -83.416007
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 1.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 35
Temperature: 1.334700
Total energy: -206.210894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.210894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.651561 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -53.106
Base-Backbone interact. energy: -0.902
local terms energy: -67.578927
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 6.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 36
Temperature: 1.334250
Total energy: -226.606314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.606314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.567431 (E_RNA)
where:
Base-Base interactions energy: -156.972
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.242
local terms energy: -73.353968
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 3.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 37
Temperature: 1.333800
Total energy: -210.497564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.497564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.120627 (E_RNA)
where:
Base-Base interactions energy: -144.342
where: short stacking energy: -54.451
Base-Backbone interact. energy: -0.399
local terms energy: -68.379492
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 2.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 38
Temperature: 1.333350
Total energy: -223.368001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.368001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.304471 (E_RNA)
where:
Base-Base interactions energy: -157.688
where: short stacking energy: -74.151
Base-Backbone interact. energy: -0.176
local terms energy: -69.440650
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 3.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 39
Temperature: 1.332900
Total energy: -225.858047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.858047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.893161 (E_RNA)
where:
Base-Base interactions energy: -153.192
where: short stacking energy: -61.647
Base-Backbone interact. energy: -1.014
local terms energy: -75.687478
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 4.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 40
Temperature: 1.332450
Total energy: -234.625713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.625713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.382266 (E_RNA)
where:
Base-Base interactions energy: -163.352
where: short stacking energy: -82.308
Base-Backbone interact. energy: -0.006
local terms energy: -75.024277
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -29.026
Dist. restrs. and SS energy: 3.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 41
Temperature: 1.332000
Total energy: -203.704669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.704669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.071901 (E_RNA)
where:
Base-Base interactions energy: -146.992
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.120
local terms energy: -59.959663
where:
bonds (distance) C4'-P energy: -7.339
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 3.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 42
Temperature: 1.331550
Total energy: -209.393475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.393475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.602321 (E_RNA)
where:
Base-Base interactions energy: -150.682
where: short stacking energy: -72.691
Base-Backbone interact. energy: 5.965
local terms energy: -70.884560
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 6.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 43
Temperature: 1.331100
Total energy: -243.750524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.750524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.902142 (E_RNA)
where:
Base-Base interactions energy: -158.261
where: short stacking energy: -75.356
Base-Backbone interact. energy: -1.104
local terms energy: -86.537310
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 44
Temperature: 1.330650
Total energy: -228.620749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.620749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.461398 (E_RNA)
where:
Base-Base interactions energy: -154.001
where: short stacking energy: -71.524
Base-Backbone interact. energy: -0.045
local terms energy: -79.415640
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 4.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 45
Temperature: 1.330200
Total energy: -231.355412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.355412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.436155 (E_RNA)
where:
Base-Base interactions energy: -158.179
where: short stacking energy: -72.297
Base-Backbone interact. energy: -0.571
local terms energy: -76.686188
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 4.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 46
Temperature: 1.329750
Total energy: -206.271361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.271361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.753888 (E_RNA)
where:
Base-Base interactions energy: -140.406
where: short stacking energy: -60.988
Base-Backbone interact. energy: -0.286
local terms energy: -72.061834
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 6.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 47
Temperature: 1.329300
Total energy: -225.258939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.258939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.944725 (E_RNA)
where:
Base-Base interactions energy: -155.653
where: short stacking energy: -74.428
Base-Backbone interact. energy: -0.076
local terms energy: -74.215861
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 4.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 48
Temperature: 1.328850
Total energy: -214.717690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.717690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.672388 (E_RNA)
where:
Base-Base interactions energy: -148.954
where: short stacking energy: -67.145
Base-Backbone interact. energy: -0.834
local terms energy: -69.884108
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 4.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 49
Temperature: 1.328400
Total energy: -202.594025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.594025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005315 (E_RNA)
where:
Base-Base interactions energy: -130.162
where: short stacking energy: -61.999
Base-Backbone interact. energy: -0.000
local terms energy: -75.842419
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 3.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 50
Temperature: 1.327950
Total energy: -195.042629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.042629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.469597 (E_RNA)
where:
Base-Base interactions energy: -140.550
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.138
local terms energy: -58.781468
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -10.408
Dist. restrs. and SS energy: 4.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 51
Temperature: 1.327500
Total energy: -206.113415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.113415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.860421 (E_RNA)
where:
Base-Base interactions energy: -137.371
where: short stacking energy: -66.059
Base-Backbone interact. energy: 1.189
local terms energy: -75.678489
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 5.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 52
Temperature: 1.327050
Total energy: -214.909802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.909802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.062413 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.006
local terms energy: -72.902312
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 3.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 53
Temperature: 1.326600
Total energy: -213.545229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.545229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843655 (E_RNA)
where:
Base-Base interactions energy: -141.822
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.179
local terms energy: -75.842421
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 4.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 54
Temperature: 1.326150
Total energy: -227.326676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.326676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.136036 (E_RNA)
where:
Base-Base interactions energy: -147.499
where: short stacking energy: -68.243
Base-Backbone interact. energy: -0.142
local terms energy: -82.494881
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 2.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 55
Temperature: 1.325700
Total energy: -233.595064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.595064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.364916 (E_RNA)
where:
Base-Base interactions energy: -166.805
where: short stacking energy: -81.478
Base-Backbone interact. energy: -0.007
local terms energy: -69.553229
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -24.970
Dist. restrs. and SS energy: 2.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 56
Temperature: 1.325250
Total energy: -216.219823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.219823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.911935 (E_RNA)
where:
Base-Base interactions energy: -143.947
where: short stacking energy: -68.935
Base-Backbone interact. energy: 0.432
local terms energy: -75.396308
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 2.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 57
Temperature: 1.324800
Total energy: -220.142440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.142440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.415642 (E_RNA)
where:
Base-Base interactions energy: -154.714
where: short stacking energy: -75.389
Base-Backbone interact. energy: -0.600
local terms energy: -71.101613
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 6.273 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 58
Temperature: 1.324350
Total energy: -212.464836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.464836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.045496 (E_RNA)
where:
Base-Base interactions energy: -153.245
where: short stacking energy: -70.389
Base-Backbone interact. energy: -1.404
local terms energy: -61.397067
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 3.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 59
Temperature: 1.323900
Total energy: -225.188207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.188207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.340479 (E_RNA)
where:
Base-Base interactions energy: -154.122
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.172
local terms energy: -78.046353
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 7.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 60
Temperature: 1.323450
Total energy: -225.021961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.021961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.009613 (E_RNA)
where:
Base-Base interactions energy: -157.094
where: short stacking energy: -60.225
Base-Backbone interact. energy: 0.168
local terms energy: -71.082981
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.272
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 61
Temperature: 1.323000
Total energy: -229.802768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.802768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.527334 (E_RNA)
where:
Base-Base interactions energy: -163.495
where: short stacking energy: -75.297
Base-Backbone interact. energy: -0.124
local terms energy: -68.908429
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 2.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 62
Temperature: 1.322550
Total energy: -236.177530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.177530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.104602 (E_RNA)
where:
Base-Base interactions energy: -167.635
where: short stacking energy: -77.667
Base-Backbone interact. energy: -0.530
local terms energy: -70.940477
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 63
Temperature: 1.322100
Total energy: -233.118712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.171217 (E_RNA)
where:
Base-Base interactions energy: -162.892
where: short stacking energy: -76.863
Base-Backbone interact. energy: -0.106
local terms energy: -74.173311
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 4.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 64
Temperature: 1.321650
Total energy: -227.943655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.943655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.527327 (E_RNA)
where:
Base-Base interactions energy: -159.812
where: short stacking energy: -70.933
Base-Backbone interact. energy: 1.257
local terms energy: -70.972764
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 65
Temperature: 1.321200
Total energy: -231.293726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.293726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.596495 (E_RNA)
where:
Base-Base interactions energy: -160.354
where: short stacking energy: -73.734
Base-Backbone interact. energy: 2.573
local terms energy: -79.815490
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 6.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 66
Temperature: 1.320750
Total energy: -219.790623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.790623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.774180 (E_RNA)
where:
Base-Base interactions energy: -152.775
where: short stacking energy: -64.428
Base-Backbone interact. energy: -0.130
local terms energy: -69.868699
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 2.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 67
Temperature: 1.320300
Total energy: -204.732082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.732082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.735166 (E_RNA)
where:
Base-Base interactions energy: -148.243
where: short stacking energy: -65.974
Base-Backbone interact. energy: -0.726
local terms energy: -60.765944
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -9.396
Dist. restrs. and SS energy: 5.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 68
Temperature: 1.319850
Total energy: -207.204431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.204431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.029352 (E_RNA)
where:
Base-Base interactions energy: -143.491
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.273
local terms energy: -68.265338
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: 4.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 69
Temperature: 1.319400
Total energy: -220.810371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.810371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.226752 (E_RNA)
where:
Base-Base interactions energy: -149.456
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.391
local terms energy: -73.379556
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 2.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 70
Temperature: 1.318950
Total energy: -194.838940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.838940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.384061 (E_RNA)
where:
Base-Base interactions energy: -138.817
where: short stacking energy: -51.930
Base-Backbone interact. energy: -0.992
local terms energy: -58.574521
where:
bonds (distance) C4'-P energy: -6.382
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 3.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 71
Temperature: 1.318500
Total energy: -231.048483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.048483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.893321 (E_RNA)
where:
Base-Base interactions energy: -155.095
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.738
local terms energy: -79.060553
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 3.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 72
Temperature: 1.318050
Total energy: -224.742315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.742315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.979529 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -67.452
Base-Backbone interact. energy: -0.518
local terms energy: -72.778801
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 3.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 73
Temperature: 1.317600
Total energy: -219.528716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.528716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.249065 (E_RNA)
where:
Base-Base interactions energy: -141.808
where: short stacking energy: -60.356
Base-Backbone interact. energy: -0.531
local terms energy: -80.910267
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 3.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 74
Temperature: 1.317150
Total energy: -213.441918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.441918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.267587 (E_RNA)
where:
Base-Base interactions energy: -144.056
where: short stacking energy: -61.314
Base-Backbone interact. energy: -0.009
local terms energy: -73.202532
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 3.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 75
Temperature: 1.316700
Total energy: -207.715555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.715555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.906325 (E_RNA)
where:
Base-Base interactions energy: -143.378
where: short stacking energy: -62.099
Base-Backbone interact. energy: -0.675
local terms energy: -70.853410
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 7.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 76
Temperature: 1.316250
Total energy: -210.923581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.923581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.482939 (E_RNA)
where:
Base-Base interactions energy: -148.437
where: short stacking energy: -74.465
Base-Backbone interact. energy: -0.062
local terms energy: -69.983981
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 7.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 77
Temperature: 1.315800
Total energy: -215.298720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.298720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.066610 (E_RNA)
where:
Base-Base interactions energy: -151.003
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.631
local terms energy: -67.432467
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -10.450
Dist. restrs. and SS energy: 3.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 78
Temperature: 1.315350
Total energy: -233.754202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.754202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.027959 (E_RNA)
where:
Base-Base interactions energy: -159.203
where: short stacking energy: -64.403
Base-Backbone interact. energy: -0.024
local terms energy: -77.800563
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 3.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 79
Temperature: 1.314900
Total energy: -238.882479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.882479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.078271 (E_RNA)
where:
Base-Base interactions energy: -157.768
where: short stacking energy: -68.886
Base-Backbone interact. energy: -0.110
local terms energy: -84.200868
where:
bonds (distance) C4'-P energy: -19.534
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 3.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 80
Temperature: 1.314450
Total energy: -196.343232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.343232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.237994 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -51.486
Base-Backbone interact. energy: -2.549
local terms energy: -60.669954
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 2.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 81
Temperature: 1.314000
Total energy: -215.218363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.218363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.583340 (E_RNA)
where:
Base-Base interactions energy: -141.825
where: short stacking energy: -69.069
Base-Backbone interact. energy: -1.251
local terms energy: -77.507835
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 5.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 82
Temperature: 1.313550
Total energy: -206.576834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.576834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.269786 (E_RNA)
where:
Base-Base interactions energy: -154.377
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.134
local terms energy: -55.758476
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 3.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 83
Temperature: 1.313100
Total energy: -225.034412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.034412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.035682 (E_RNA)
where:
Base-Base interactions energy: -150.444
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.942
local terms energy: -77.649939
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 4.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 84
Temperature: 1.312650
Total energy: -214.189459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.189459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.487836 (E_RNA)
where:
Base-Base interactions energy: -146.633
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.008
local terms energy: -71.847374
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 4.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 85
Temperature: 1.312200
Total energy: -200.007364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.007364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.178210 (E_RNA)
where:
Base-Base interactions energy: -136.033
where: short stacking energy: -59.454
Base-Backbone interact. energy: 0.171
local terms energy: -67.315895
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 3.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 86
Temperature: 1.311750
Total energy: -181.475162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.475162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.278373 (E_RNA)
where:
Base-Base interactions energy: -120.970
where: short stacking energy: -66.096
Base-Backbone interact. energy: -1.502
local terms energy: -65.807128
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 6.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 87
Temperature: 1.311300
Total energy: -169.837640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.837640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.901785 (E_RNA)
where:
Base-Base interactions energy: -114.314
where: short stacking energy: -39.437
Base-Backbone interact. energy: 0.607
local terms energy: -67.194555
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 11.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 88
Temperature: 1.310850
Total energy: -203.569793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.569793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.705940 (E_RNA)
where:
Base-Base interactions energy: -137.777
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.107
local terms energy: -70.822103
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 5.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 89
Temperature: 1.310400
Total energy: -179.889736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.889736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.677029 (E_RNA)
where:
Base-Base interactions energy: -125.894
where: short stacking energy: -55.094
Base-Backbone interact. energy: 2.369
local terms energy: -61.151866
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 4.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 90
Temperature: 1.309950
Total energy: -175.727169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.727169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.791968 (E_RNA)
where:
Base-Base interactions energy: -123.212
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.763
local terms energy: -60.817815
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -8.180
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 9.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 91
Temperature: 1.309500
Total energy: -185.216869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.216869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.539869 (E_RNA)
where:
Base-Base interactions energy: -132.830
where: short stacking energy: -57.766
Base-Backbone interact. energy: -0.218
local terms energy: -58.491339
where:
bonds (distance) C4'-P energy: -7.037
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 6.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 92
Temperature: 1.309050
Total energy: -195.886757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.886757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.420876 (E_RNA)
where:
Base-Base interactions energy: -138.271
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.461
local terms energy: -61.689677
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 4.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 93
Temperature: 1.308600
Total energy: -168.845664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.845664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.954435 (E_RNA)
where:
Base-Base interactions energy: -117.139
where: short stacking energy: -44.469
Base-Backbone interact. energy: 0.199
local terms energy: -59.013986
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 7.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 94
Temperature: 1.308150
Total energy: -192.034599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.034599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.708474 (E_RNA)
where:
Base-Base interactions energy: -137.121
where: short stacking energy: -62.187
Base-Backbone interact. energy: -1.768
local terms energy: -61.820109
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 8.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 95
Temperature: 1.307700
Total energy: -205.758362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.758362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.526418 (E_RNA)
where:
Base-Base interactions energy: -133.263
where: short stacking energy: -56.256
Base-Backbone interact. energy: -0.260
local terms energy: -76.003548
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 3.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 96
Temperature: 1.307250
Total energy: -196.457653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.457653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.388088 (E_RNA)
where:
Base-Base interactions energy: -134.754
where: short stacking energy: -60.123
Base-Backbone interact. energy: -0.581
local terms energy: -67.053389
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 5.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 97
Temperature: 1.306800
Total energy: -205.986397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.986397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.675792 (E_RNA)
where:
Base-Base interactions energy: -143.245
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.611
local terms energy: -68.820107
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 6.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 98
Temperature: 1.306350
Total energy: -168.829655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.829655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.813684 (E_RNA)
where:
Base-Base interactions energy: -116.119
where: short stacking energy: -55.388
Base-Backbone interact. energy: 1.217
local terms energy: -58.912131
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -9.834
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -8.153
Dist. restrs. and SS energy: 4.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 99
Temperature: 1.305900
Total energy: -176.382715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.382715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.095463 (E_RNA)
where:
Base-Base interactions energy: -121.287
where: short stacking energy: -61.214
Base-Backbone interact. energy: 3.986
local terms energy: -64.794593
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 5.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 100
Temperature: 1.305450
Total energy: -166.524204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.524204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.191934 (E_RNA)
where:
Base-Base interactions energy: -119.594
where: short stacking energy: -57.509
Base-Backbone interact. energy: 0.221
local terms energy: -55.818508
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 8.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 101
Temperature: 1.305000
Total energy: -153.874123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.874123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.000584 (E_RNA)
where:
Base-Base interactions energy: -94.728
where: short stacking energy: -49.378
Base-Backbone interact. energy: -0.164
local terms energy: -66.108733
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -10.829
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 7.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 102
Temperature: 1.304550
Total energy: -185.482849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.482849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.981776 (E_RNA)
where:
Base-Base interactions energy: -129.579
where: short stacking energy: -61.507
Base-Backbone interact. energy: 1.759
local terms energy: -64.161949
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 6.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 103
Temperature: 1.304100
Total energy: -201.989460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.989460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.359810 (E_RNA)
where:
Base-Base interactions energy: -139.843
where: short stacking energy: -69.456
Base-Backbone interact. energy: -0.046
local terms energy: -74.470447
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 12.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 104
Temperature: 1.303650
Total energy: -202.034093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.034093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076556 (E_RNA)
where:
Base-Base interactions energy: -151.440
where: short stacking energy: -66.485
Base-Backbone interact. energy: 0.278
local terms energy: -59.915294
where:
bonds (distance) C4'-P energy: -6.132
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 9.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 105
Temperature: 1.303200
Total energy: -214.081082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.081082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.261036 (E_RNA)
where:
Base-Base interactions energy: -151.701
where: short stacking energy: -76.993
Base-Backbone interact. energy: -1.185
local terms energy: -70.375556
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 9.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 106
Temperature: 1.302750
Total energy: -239.557981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.557981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.388059 (E_RNA)
where:
Base-Base interactions energy: -157.635
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.667
local terms energy: -90.085918
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 8.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 107
Temperature: 1.302300
Total energy: -222.286864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.286864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.778769 (E_RNA)
where:
Base-Base interactions energy: -152.675
where: short stacking energy: -62.058
Base-Backbone interact. energy: 0.987
local terms energy: -78.090282
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 7.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 108
Temperature: 1.301850
Total energy: -226.354886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.354886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.205629 (E_RNA)
where:
Base-Base interactions energy: -165.720
where: short stacking energy: -72.054
Base-Backbone interact. energy: -0.975
local terms energy: -64.510656
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -5.644
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 4.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 109
Temperature: 1.301400
Total energy: -232.796351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.796351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.189510 (E_RNA)
where:
Base-Base interactions energy: -149.438
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.379
local terms energy: -89.372385
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 6.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 110
Temperature: 1.300950
Total energy: -217.011007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.011007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.264555 (E_RNA)
where:
Base-Base interactions energy: -146.989
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.256
local terms energy: -77.019193
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 7.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 111
Temperature: 1.300500
Total energy: -214.166585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.166585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.674566 (E_RNA)
where:
Base-Base interactions energy: -146.502
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.210
local terms energy: -75.962488
where:
bonds (distance) C4'-P energy: -8.453
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 8.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 112
Temperature: 1.300050
Total energy: -204.482946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.482946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.856777 (E_RNA)
where:
Base-Base interactions energy: -148.708
where: short stacking energy: -56.872
Base-Backbone interact. energy: -0.103
local terms energy: -62.046392
where:
bonds (distance) C4'-P energy: -6.304
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 6.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 113
Temperature: 1.299600
Total energy: -222.777230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.777230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.969900 (E_RNA)
where:
Base-Base interactions energy: -144.767
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.047
local terms energy: -84.156017
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 6.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 114
Temperature: 1.299150
Total energy: -234.145434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.145434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.020107 (E_RNA)
where:
Base-Base interactions energy: -162.401
where: short stacking energy: -75.797
Base-Backbone interact. energy: -0.040
local terms energy: -76.579394
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 4.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 115
Temperature: 1.298700
Total energy: -224.681796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.681796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.248506 (E_RNA)
where:
Base-Base interactions energy: -158.003
where: short stacking energy: -68.259
Base-Backbone interact. energy: -1.110
local terms energy: -71.136141
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -14.081
Dist. restrs. and SS energy: 5.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 116
Temperature: 1.298250
Total energy: -204.102720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.102720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.158815 (E_RNA)
where:
Base-Base interactions energy: -145.795
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.323
local terms energy: -65.041128
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 7.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 117
Temperature: 1.297800
Total energy: -231.959558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.959558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.883821 (E_RNA)
where:
Base-Base interactions energy: -149.977
where: short stacking energy: -74.263
Base-Backbone interact. energy: -0.689
local terms energy: -88.217927
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 6.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 118
Temperature: 1.297350
Total energy: -220.224987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.224987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.586193 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.173
local terms energy: -78.736607
where:
bonds (distance) C4'-P energy: -10.925
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 7.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 119
Temperature: 1.296900
Total energy: -226.943429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.943429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.102499 (E_RNA)
where:
Base-Base interactions energy: -152.261
where: short stacking energy: -73.955
Base-Backbone interact. energy: -1.228
local terms energy: -82.614174
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 9.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 120
Temperature: 1.296450
Total energy: -210.201176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.201176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.447049 (E_RNA)
where:
Base-Base interactions energy: -141.447
where: short stacking energy: -64.516
Base-Backbone interact. energy: 0.345
local terms energy: -75.344778
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 6.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 121
Temperature: 1.296000
Total energy: -204.575147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.575147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.573795 (E_RNA)
where:
Base-Base interactions energy: -137.527
where: short stacking energy: -55.001
Base-Backbone interact. energy: 1.204
local terms energy: -75.250171
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 6.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 122
Temperature: 1.295550
Total energy: -238.458669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.458669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.358248 (E_RNA)
where:
Base-Base interactions energy: -158.458
where: short stacking energy: -73.234
Base-Backbone interact. energy: -0.170
local terms energy: -85.730598
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 5.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 123
Temperature: 1.295100
Total energy: -204.158304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.158304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.266751 (E_RNA)
where:
Base-Base interactions energy: -129.700
where: short stacking energy: -53.146
Base-Backbone interact. energy: 0.344
local terms energy: -81.910174
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 7.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 124
Temperature: 1.294650
Total energy: -240.060206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.060206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.945400 (E_RNA)
where:
Base-Base interactions energy: -172.619
where: short stacking energy: -84.893
Base-Backbone interact. energy: -0.006
local terms energy: -73.320396
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 5.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 125
Temperature: 1.294200
Total energy: -234.899703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.899703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.368654 (E_RNA)
where:
Base-Base interactions energy: -154.496
where: short stacking energy: -76.100
Base-Backbone interact. energy: -0.102
local terms energy: -84.771541
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 4.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 126
Temperature: 1.293750
Total energy: -235.161097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.161097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.560737 (E_RNA)
where:
Base-Base interactions energy: -167.987
where: short stacking energy: -84.670
Base-Backbone interact. energy: 0.073
local terms energy: -71.646773
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 4.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 127
Temperature: 1.293300
Total energy: -248.511397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.511397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.120442 (E_RNA)
where:
Base-Base interactions energy: -162.847
where: short stacking energy: -83.163
Base-Backbone interact. energy: -0.012
local terms energy: -91.261361
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 5.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 128
Temperature: 1.292850
Total energy: -226.145518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.145518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.344317 (E_RNA)
where:
Base-Base interactions energy: -154.070
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.752
local terms energy: -76.522529
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 5.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 129
Temperature: 1.292400
Total energy: -231.072943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.072943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.911676 (E_RNA)
where:
Base-Base interactions energy: -156.262
where: short stacking energy: -72.353
Base-Backbone interact. energy: -0.366
local terms energy: -81.284000
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 6.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 130
Temperature: 1.291950
Total energy: -213.473115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.473115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.079075 (E_RNA)
where:
Base-Base interactions energy: -151.003
where: short stacking energy: -65.718
Base-Backbone interact. energy: 0.327
local terms energy: -68.403492
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 5.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 131
Temperature: 1.291500
Total energy: -210.770992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.770992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.389603 (E_RNA)
where:
Base-Base interactions energy: -147.594
where: short stacking energy: -66.308
Base-Backbone interact. energy: -0.094
local terms energy: -68.701739
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 5.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 132
Temperature: 1.291050
Total energy: -225.471995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.471995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.368771 (E_RNA)
where:
Base-Base interactions energy: -150.542
where: short stacking energy: -73.679
Base-Backbone interact. energy: -0.443
local terms energy: -82.383434
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 7.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 133
Temperature: 1.290600
Total energy: -234.986591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.986591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.979166 (E_RNA)
where:
Base-Base interactions energy: -155.862
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.046
local terms energy: -86.070708
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -22.168
Dist. restrs. and SS energy: 6.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 134
Temperature: 1.290150
Total energy: -219.291976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.291976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.979744 (E_RNA)
where:
Base-Base interactions energy: -155.014
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.617
local terms energy: -69.349063
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -17.384
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 5.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 135
Temperature: 1.289700
Total energy: -229.433232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.433232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.603750 (E_RNA)
where:
Base-Base interactions energy: -162.345
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.921
local terms energy: -73.338332
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 7.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 136
Temperature: 1.289250
Total energy: -221.646438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.646438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.600567 (E_RNA)
where:
Base-Base interactions energy: -151.641
where: short stacking energy: -63.262
Base-Backbone interact. energy: -0.551
local terms energy: -74.408538
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 4.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 137
Temperature: 1.288800
Total energy: -209.852504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.852504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.646964 (E_RNA)
where:
Base-Base interactions energy: -147.060
where: short stacking energy: -74.200
Base-Backbone interact. energy: 0.374
local terms energy: -69.961698
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -15.494
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 6.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 138
Temperature: 1.288350
Total energy: -223.396486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.396486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.382726 (E_RNA)
where:
Base-Base interactions energy: -149.618
where: short stacking energy: -65.829
Base-Backbone interact. energy: 2.371
local terms energy: -85.135492
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 8.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 139
Temperature: 1.287900
Total energy: -198.366665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.366665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.092921 (E_RNA)
where:
Base-Base interactions energy: -143.086
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.200
local terms energy: -64.806359
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 9.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 140
Temperature: 1.287450
Total energy: -203.028287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.028287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.812334 (E_RNA)
where:
Base-Base interactions energy: -143.963
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.186
local terms energy: -70.663263
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -20.319
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 11.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 141
Temperature: 1.287000
Total energy: -214.260255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.260255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.137403 (E_RNA)
where:
Base-Base interactions energy: -146.993
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.694
local terms energy: -75.451229
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 8.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 142
Temperature: 1.286550
Total energy: -206.175431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.175431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.806662 (E_RNA)
where:
Base-Base interactions energy: -133.360
where: short stacking energy: -54.481
Base-Backbone interact. energy: -0.033
local terms energy: -81.414613
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 8.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 143
Temperature: 1.286100
Total energy: -188.255145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.255145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.872724 (E_RNA)
where:
Base-Base interactions energy: -127.173
where: short stacking energy: -62.600
Base-Backbone interact. energy: -0.346
local terms energy: -68.354101
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -8.698
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -16.218
Dist. restrs. and SS energy: 7.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 144
Temperature: 1.285650
Total energy: -218.947983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.947983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.746302 (E_RNA)
where:
Base-Base interactions energy: -148.753
where: short stacking energy: -76.055
Base-Backbone interact. energy: -0.007
local terms energy: -75.986060
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 5.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 145
Temperature: 1.285200
Total energy: -222.085423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.085423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.690849 (E_RNA)
where:
Base-Base interactions energy: -150.829
where: short stacking energy: -77.743
Base-Backbone interact. energy: -0.128
local terms energy: -77.734331
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 6.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 146
Temperature: 1.284750
Total energy: -222.912856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.912856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.491665 (E_RNA)
where:
Base-Base interactions energy: -157.724
where: short stacking energy: -69.446
Base-Backbone interact. energy: -0.014
local terms energy: -72.753246
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -19.439
Dist. restrs. and SS energy: 7.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 147
Temperature: 1.284300
Total energy: -226.093860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.093860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.854373 (E_RNA)
where:
Base-Base interactions energy: -152.810
where: short stacking energy: -73.933
Base-Backbone interact. energy: -0.000
local terms energy: -82.044593
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 8.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 148
Temperature: 1.283850
Total energy: -225.228225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.228225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.569206 (E_RNA)
where:
Base-Base interactions energy: -146.046
where: short stacking energy: -65.958
Base-Backbone interact. energy: -0.018
local terms energy: -82.505702
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -18.676
Dist. restrs. and SS energy: 3.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 149
Temperature: 1.283400
Total energy: -227.493404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.493404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.672439 (E_RNA)
where:
Base-Base interactions energy: -161.725
where: short stacking energy: -70.721
Base-Backbone interact. energy: -0.296
local terms energy: -69.652040
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 4.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 150
Temperature: 1.282950
Total energy: -235.518993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.518993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.415261 (E_RNA)
where:
Base-Base interactions energy: -161.007
where: short stacking energy: -76.958
Base-Backbone interact. energy: -1.270
local terms energy: -79.137785
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 5.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 151
Temperature: 1.282500
Total energy: -215.873493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.873493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.135502 (E_RNA)
where:
Base-Base interactions energy: -149.324
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.335
local terms energy: -72.476790
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 6.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 152
Temperature: 1.282050
Total energy: -211.057943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.057943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.235896 (E_RNA)
where:
Base-Base interactions energy: -144.826
where: short stacking energy: -64.233
Base-Backbone interact. energy: -1.227
local terms energy: -73.183722
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 8.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 153
Temperature: 1.281600
Total energy: -222.481941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.481941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.795174 (E_RNA)
where:
Base-Base interactions energy: -152.030
where: short stacking energy: -73.480
Base-Backbone interact. energy: -0.312
local terms energy: -76.453250
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 6.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 154
Temperature: 1.281150
Total energy: -208.536483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.536483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.188141 (E_RNA)
where:
Base-Base interactions energy: -137.623
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.187
local terms energy: -76.377831
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -16.044
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 5.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 155
Temperature: 1.280700
Total energy: -192.921526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.311298 (E_RNA)
where:
Base-Base interactions energy: -136.502
where: short stacking energy: -54.788
Base-Backbone interact. energy: -0.725
local terms energy: -60.084128
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 4.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 156
Temperature: 1.280250
Total energy: -195.304081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.304081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.472250 (E_RNA)
where:
Base-Base interactions energy: -128.176
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.210
local terms energy: -73.085664
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 6.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 157
Temperature: 1.279800
Total energy: -191.826039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.826039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.060554 (E_RNA)
where:
Base-Base interactions energy: -140.404
where: short stacking energy: -54.973
Base-Backbone interact. energy: -1.042
local terms energy: -60.614877
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 10.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 158
Temperature: 1.279350
Total energy: -209.266587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.266587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.306307 (E_RNA)
where:
Base-Base interactions energy: -150.996
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.050
local terms energy: -65.260903
where:
bonds (distance) C4'-P energy: -7.186
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 7.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 159
Temperature: 1.278900
Total energy: -198.082950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.082950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.695516 (E_RNA)
where:
Base-Base interactions energy: -147.836
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.008
local terms energy: -59.851280
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -8.557
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 9.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 160
Temperature: 1.278450
Total energy: -200.100685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.100685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.678588 (E_RNA)
where:
Base-Base interactions energy: -124.543
where: short stacking energy: -47.251
Base-Backbone interact. energy: -1.163
local terms energy: -81.971979
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -19.578
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 7.578 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 161
Temperature: 1.278000
Total energy: -182.820236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.820236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.166059 (E_RNA)
where:
Base-Base interactions energy: -126.113
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.802
local terms energy: -65.251781
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 9.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 162
Temperature: 1.277550
Total energy: -170.837280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.837280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.133346 (E_RNA)
where:
Base-Base interactions energy: -104.383
where: short stacking energy: -52.982
Base-Backbone interact. energy: -0.501
local terms energy: -73.249021
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -11.016
Dist. restrs. and SS energy: 7.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 163
Temperature: 1.277100
Total energy: -154.023197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.023197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.116318 (E_RNA)
where:
Base-Base interactions energy: -107.642
where: short stacking energy: -49.724
Base-Backbone interact. energy: 0.114
local terms energy: -57.587530
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 11.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 164
Temperature: 1.276650
Total energy: -164.822987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.822987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.055990 (E_RNA)
where:
Base-Base interactions energy: -119.334
where: short stacking energy: -47.285
Base-Backbone interact. energy: -0.182
local terms energy: -55.539731
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 10.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 165
Temperature: 1.276200
Total energy: -156.583468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.583468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.068070 (E_RNA)
where:
Base-Base interactions energy: -99.468
where: short stacking energy: -51.640
Base-Backbone interact. energy: -0.437
local terms energy: -64.162350
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 7.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 166
Temperature: 1.275750
Total energy: -163.438005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.438005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.067440 (E_RNA)
where:
Base-Base interactions energy: -109.985
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.191
local terms energy: -62.890818
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 9.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 167
Temperature: 1.275300
Total energy: -165.413434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.413434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.564452 (E_RNA)
where:
Base-Base interactions energy: -108.332
where: short stacking energy: -45.876
Base-Backbone interact. energy: -0.436
local terms energy: -63.796274
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 7.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 168
Temperature: 1.274850
Total energy: -173.806629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.806629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.907990 (E_RNA)
where:
Base-Base interactions energy: -109.710
where: short stacking energy: -55.727
Base-Backbone interact. energy: -0.194
local terms energy: -74.004121
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 10.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 169
Temperature: 1.274400
Total energy: -177.240759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.240759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.160536 (E_RNA)
where:
Base-Base interactions energy: -116.372
where: short stacking energy: -58.878
Base-Backbone interact. energy: 0.647
local terms energy: -70.435342
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -2.387
tors. eta vs tors. theta energy: -13.016
Dist. restrs. and SS energy: 8.920 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 170
Temperature: 1.273950
Total energy: -156.606510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.606510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.568312 (E_RNA)
where:
Base-Base interactions energy: -103.294
where: short stacking energy: -50.538
Base-Backbone interact. energy: -0.197
local terms energy: -63.077226
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -8.986
Dist. restrs. and SS energy: 9.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 171
Temperature: 1.273500
Total energy: -182.517085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.517085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015829 (E_RNA)
where:
Base-Base interactions energy: -111.014
where: short stacking energy: -62.226
Base-Backbone interact. energy: -0.526
local terms energy: -75.476414
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 172
Temperature: 1.273050
Total energy: -168.255398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.255398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.082353 (E_RNA)
where:
Base-Base interactions energy: -106.878
where: short stacking energy: -52.014
Base-Backbone interact. energy: -2.712
local terms energy: -67.493035
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -7.702
Dist. restrs. and SS energy: 8.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 173
Temperature: 1.272600
Total energy: -160.494664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.494664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.391828 (E_RNA)
where:
Base-Base interactions energy: -114.137
where: short stacking energy: -52.279
Base-Backbone interact. energy: -0.186
local terms energy: -55.069028
where:
bonds (distance) C4'-P energy: -3.644
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 8.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 174
Temperature: 1.272150
Total energy: -149.160519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.160519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.735612 (E_RNA)
where:
Base-Base interactions energy: -95.506
where: short stacking energy: -49.620
Base-Backbone interact. energy: -1.317
local terms energy: -60.912475
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -7.821
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 8.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 175
Temperature: 1.271700
Total energy: -146.972517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.972517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.501209 (E_RNA)
where:
Base-Base interactions energy: -86.967
where: short stacking energy: -36.860
Base-Backbone interact. energy: -0.312
local terms energy: -67.221497
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 7.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 176
Temperature: 1.271250
Total energy: -159.715232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.715232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.656975 (E_RNA)
where:
Base-Base interactions energy: -97.531
where: short stacking energy: -43.501
Base-Backbone interact. energy: 0.885
local terms energy: -70.010582
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -6.487
Dist. restrs. and SS energy: 6.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 177
Temperature: 1.270800
Total energy: -149.675310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.675310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.356987 (E_RNA)
where:
Base-Base interactions energy: -102.155
where: short stacking energy: -55.575
Base-Backbone interact. energy: 1.029
local terms energy: -57.230745
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 8.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 178
Temperature: 1.270350
Total energy: -163.536714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.536714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.552442 (E_RNA)
where:
Base-Base interactions energy: -95.871
where: short stacking energy: -52.517
Base-Backbone interact. energy: -0.466
local terms energy: -75.214944
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 8.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 179
Temperature: 1.269900
Total energy: -153.685350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.685350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.103685 (E_RNA)
where:
Base-Base interactions energy: -98.431
where: short stacking energy: -47.351
Base-Backbone interact. energy: 0.656
local terms energy: -60.328398
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 4.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 180
Temperature: 1.269450
Total energy: -166.299983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.299983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.452866 (E_RNA)
where:
Base-Base interactions energy: -104.976
where: short stacking energy: -51.717
Base-Backbone interact. energy: -0.406
local terms energy: -67.070924
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 6.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 181
Temperature: 1.269000
Total energy: -166.611065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.611065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.742757 (E_RNA)
where:
Base-Base interactions energy: -103.099
where: short stacking energy: -58.650
Base-Backbone interact. energy: -0.021
local terms energy: -70.622367
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 7.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 182
Temperature: 1.268550
Total energy: -170.494975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.494975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.144253 (E_RNA)
where:
Base-Base interactions energy: -117.344
where: short stacking energy: -52.221
Base-Backbone interact. energy: -0.237
local terms energy: -62.563021
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 9.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 183
Temperature: 1.268100
Total energy: -199.982909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.982909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.895703 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -57.519
Base-Backbone interact. energy: -1.901
local terms energy: -74.164208
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 4.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 184
Temperature: 1.267650
Total energy: -227.478448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.478448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.264512 (E_RNA)
where:
Base-Base interactions energy: -155.946
where: short stacking energy: -71.154
Base-Backbone interact. energy: -0.828
local terms energy: -75.490685
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 4.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 185
Temperature: 1.267200
Total energy: -216.931276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.931276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.601959 (E_RNA)
where:
Base-Base interactions energy: -148.685
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.211
local terms energy: -73.705780
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 5.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 186
Temperature: 1.266750
Total energy: -223.222458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.222458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.437094 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.128
local terms energy: -88.568091
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -22.916
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 4.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 187
Temperature: 1.266300
Total energy: -226.715486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.715486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.835367 (E_RNA)
where:
Base-Base interactions energy: -157.289
where: short stacking energy: -72.768
Base-Backbone interact. energy: -0.257
local terms energy: -73.289357
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 4.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 188
Temperature: 1.265850
Total energy: -209.586581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.586581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.708409 (E_RNA)
where:
Base-Base interactions energy: -149.579
where: short stacking energy: -59.646
Base-Backbone interact. energy: -0.446
local terms energy: -66.683016
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 7.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 189
Temperature: 1.265400
Total energy: -225.335354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.500143 (E_RNA)
where:
Base-Base interactions energy: -160.613
where: short stacking energy: -75.340
Base-Backbone interact. energy: -0.138
local terms energy: -67.749225
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -1.811
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 190
Temperature: 1.264950
Total energy: -215.133143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.133143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.820264 (E_RNA)
where:
Base-Base interactions energy: -144.251
where: short stacking energy: -67.398
Base-Backbone interact. energy: -1.071
local terms energy: -72.497660
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -13.035
Dist. restrs. and SS energy: 2.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 191
Temperature: 1.264500
Total energy: -221.512285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.512285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233877 (E_RNA)
where:
Base-Base interactions energy: -153.890
where: short stacking energy: -67.135
Base-Backbone interact. energy: 0.036
local terms energy: -70.379968
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -7.729
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 2.722 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 192
Temperature: 1.264050
Total energy: -225.730575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.730575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.743250 (E_RNA)
where:
Base-Base interactions energy: -152.876
where: short stacking energy: -71.195
Base-Backbone interact. energy: -0.723
local terms energy: -74.143926
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 2.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 193
Temperature: 1.263600
Total energy: -218.909777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.909777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.119892 (E_RNA)
where:
Base-Base interactions energy: -149.029
where: short stacking energy: -56.465
Base-Backbone interact. energy: -0.835
local terms energy: -72.256358
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 3.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 194
Temperature: 1.263150
Total energy: -227.152871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.152871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.891305 (E_RNA)
where:
Base-Base interactions energy: -151.406
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.081
local terms energy: -79.404014
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 3.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 195
Temperature: 1.262700
Total energy: -217.109004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.109004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.336083 (E_RNA)
where:
Base-Base interactions energy: -149.598
where: short stacking energy: -67.267
Base-Backbone interact. energy: 0.404
local terms energy: -70.142858
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 196
Temperature: 1.262250
Total energy: -219.832045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.832045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.589791 (E_RNA)
where:
Base-Base interactions energy: -150.036
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.310
local terms energy: -73.243303
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 3.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 197
Temperature: 1.261800
Total energy: -234.412208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.412208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.459398 (E_RNA)
where:
Base-Base interactions energy: -161.264
where: short stacking energy: -70.881
Base-Backbone interact. energy: 0.065
local terms energy: -76.260536
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -3.112
tors. eta vs tors. theta energy: -23.839
Dist. restrs. and SS energy: 3.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 198
Temperature: 1.261350
Total energy: -220.378613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.378613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.432633 (E_RNA)
where:
Base-Base interactions energy: -148.557
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.854
local terms energy: -74.021926
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 3.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 199
Temperature: 1.260900
Total energy: -210.442079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.442079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.280693 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -60.324
Base-Backbone interact. energy: 0.479
local terms energy: -68.392311
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 6.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 200
Temperature: 1.260450
Total energy: -249.098667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.098667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.951324 (E_RNA)
where:
Base-Base interactions energy: -167.011
where: short stacking energy: -63.906
Base-Backbone interact. energy: -0.748
local terms energy: -84.191886
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 201
Temperature: 1.260000
Total energy: -238.580441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.580441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.000070 (E_RNA)
where:
Base-Base interactions energy: -165.847
where: short stacking energy: -61.912
Base-Backbone interact. energy: -0.150
local terms energy: -75.002502
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 2.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 202
Temperature: 1.259550
Total energy: -220.100205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.100205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.027543 (E_RNA)
where:
Base-Base interactions energy: -159.785
where: short stacking energy: -65.566
Base-Backbone interact. energy: -0.128
local terms energy: -63.114618
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -14.061
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 203
Temperature: 1.259100
Total energy: -237.703971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.703971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.575300 (E_RNA)
where:
Base-Base interactions energy: -160.089
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.304
local terms energy: -80.182261
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 2.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 204
Temperature: 1.258650
Total energy: -220.021231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.021231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.876825 (E_RNA)
where:
Base-Base interactions energy: -139.163
where: short stacking energy: -56.747
Base-Backbone interact. energy: -0.750
local terms energy: -81.963804
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 1.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 205
Temperature: 1.258200
Total energy: -231.077276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.077276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.623538 (E_RNA)
where:
Base-Base interactions energy: -154.593
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.322
local terms energy: -82.708202
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 6.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 206
Temperature: 1.257750
Total energy: -238.493899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.493899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.664774 (E_RNA)
where:
Base-Base interactions energy: -172.959
where: short stacking energy: -69.360
Base-Backbone interact. energy: 0.039
local terms energy: -69.745201
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -17.555
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 4.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 207
Temperature: 1.257300
Total energy: -206.308723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.308723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.598810 (E_RNA)
where:
Base-Base interactions energy: -135.284
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.732
local terms energy: -74.583009
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 4.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 208
Temperature: 1.256850
Total energy: -216.986852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.986852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.446976 (E_RNA)
where:
Base-Base interactions energy: -155.550
where: short stacking energy: -56.793
Base-Backbone interact. energy: -1.290
local terms energy: -65.607095
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 5.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 209
Temperature: 1.256400
Total energy: -212.813967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.813967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.882496 (E_RNA)
where:
Base-Base interactions energy: -139.816
where: short stacking energy: -58.319
Base-Backbone interact. energy: -0.129
local terms energy: -76.937696
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 4.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 210
Temperature: 1.255950
Total energy: -215.191414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.191414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.689918 (E_RNA)
where:
Base-Base interactions energy: -149.578
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.013
local terms energy: -70.099135
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 4.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 211
Temperature: 1.255500
Total energy: -202.467714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.467714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.909397 (E_RNA)
where:
Base-Base interactions energy: -136.693
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.332
local terms energy: -70.884486
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 5.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 212
Temperature: 1.255050
Total energy: -197.204195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.204195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.665507 (E_RNA)
where:
Base-Base interactions energy: -130.475
where: short stacking energy: -63.484
Base-Backbone interact. energy: -0.310
local terms energy: -71.880996
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 5.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 213
Temperature: 1.254600
Total energy: -214.571653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.571653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.641553 (E_RNA)
where:
Base-Base interactions energy: -148.659
where: short stacking energy: -67.482
Base-Backbone interact. energy: -0.110
local terms energy: -69.872168
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 4.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 214
Temperature: 1.254150
Total energy: -203.601827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.601827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.245462 (E_RNA)
where:
Base-Base interactions energy: -141.184
where: short stacking energy: -56.790
Base-Backbone interact. energy: -0.105
local terms energy: -66.956156
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 4.644 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 215
Temperature: 1.253700
Total energy: -213.962781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.962781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.331679 (E_RNA)
where:
Base-Base interactions energy: -139.883
where: short stacking energy: -58.967
Base-Backbone interact. energy: -0.105
local terms energy: -78.344048
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 4.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 216
Temperature: 1.253250
Total energy: -212.527860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.527860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.337446 (E_RNA)
where:
Base-Base interactions energy: -140.469
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.864
local terms energy: -77.004950
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -13.156
Dist. restrs. and SS energy: 5.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 217
Temperature: 1.252800
Total energy: -213.438137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.438137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.359290 (E_RNA)
where:
Base-Base interactions energy: -143.552
where: short stacking energy: -61.396
Base-Backbone interact. energy: -0.322
local terms energy: -77.485033
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 7.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 218
Temperature: 1.252350
Total energy: -205.433339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.433339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.350911 (E_RNA)
where:
Base-Base interactions energy: -143.561
where: short stacking energy: -55.740
Base-Backbone interact. energy: 1.164
local terms energy: -66.954204
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 3.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 219
Temperature: 1.251900
Total energy: -201.394973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.515734 (E_RNA)
where:
Base-Base interactions energy: -138.610
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.611
local terms energy: -69.294768
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 7.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 220
Temperature: 1.251450
Total energy: -209.791408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.663456 (E_RNA)
where:
Base-Base interactions energy: -146.122
where: short stacking energy: -58.108
Base-Backbone interact. energy: -0.246
local terms energy: -67.294980
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 3.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 221
Temperature: 1.251000
Total energy: -217.769221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.769221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.527346 (E_RNA)
where:
Base-Base interactions energy: -149.469
where: short stacking energy: -69.365
Base-Backbone interact. energy: -0.031
local terms energy: -73.027136
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -13.768
Dist. restrs. and SS energy: 4.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 222
Temperature: 1.250550
Total energy: -240.567830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.567830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.284708 (E_RNA)
where:
Base-Base interactions energy: -160.520
where: short stacking energy: -74.134
Base-Backbone interact. energy: -0.033
local terms energy: -81.732179
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -22.806
Dist. restrs. and SS energy: 1.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 223
Temperature: 1.250100
Total energy: -242.074682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.074682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.710567 (E_RNA)
where:
Base-Base interactions energy: -168.224
where: short stacking energy: -77.866
Base-Backbone interact. energy: -1.292
local terms energy: -75.194513
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 2.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 224
Temperature: 1.249650
Total energy: -232.776541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.776541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.614074 (E_RNA)
where:
Base-Base interactions energy: -169.866
where: short stacking energy: -79.531
Base-Backbone interact. energy: -0.151
local terms energy: -68.597645
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 5.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 225
Temperature: 1.249200
Total energy: -222.655127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.655127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.934413 (E_RNA)
where:
Base-Base interactions energy: -149.575
where: short stacking energy: -66.755
Base-Backbone interact. energy: -0.360
local terms energy: -77.998754
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 5.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 226
Temperature: 1.248750
Total energy: -214.446992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.446992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.284599 (E_RNA)
where:
Base-Base interactions energy: -138.392
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.124
local terms energy: -81.768470
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 5.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 227
Temperature: 1.248300
Total energy: -208.788496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.788496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.370117 (E_RNA)
where:
Base-Base interactions energy: -148.276
where: short stacking energy: -62.094
Base-Backbone interact. energy: -1.202
local terms energy: -64.891865
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 5.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 228
Temperature: 1.247850
Total energy: -204.966915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.966915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.957924 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.805
local terms energy: -65.439672
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 7.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 229
Temperature: 1.247400
Total energy: -226.062457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.062457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.459311 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -62.424
Base-Backbone interact. energy: 1.481
local terms energy: -85.190605
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -13.476
Dist. restrs. and SS energy: 3.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 230
Temperature: 1.246950
Total energy: -203.908575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.908575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.912959 (E_RNA)
where:
Base-Base interactions energy: -146.918
where: short stacking energy: -58.478
Base-Backbone interact. energy: -1.159
local terms energy: -61.835954
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 6.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 231
Temperature: 1.246500
Total energy: -217.761083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.761083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.742201 (E_RNA)
where:
Base-Base interactions energy: -154.895
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.345
local terms energy: -66.502415
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 3.981 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 232
Temperature: 1.246050
Total energy: -228.142527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.142527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.113473 (E_RNA)
where:
Base-Base interactions energy: -145.016
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.030
local terms energy: -85.068016
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 1.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 233
Temperature: 1.245600
Total energy: -247.098695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.098695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.389658 (E_RNA)
where:
Base-Base interactions energy: -163.684
where: short stacking energy: -76.471
Base-Backbone interact. energy: -0.215
local terms energy: -85.491335
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 234
Temperature: 1.245150
Total energy: -241.061046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.061046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.913973 (E_RNA)
where:
Base-Base interactions energy: -161.880
where: short stacking energy: -73.757
Base-Backbone interact. energy: -1.169
local terms energy: -79.864903
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 1.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 235
Temperature: 1.244700
Total energy: -214.602136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.602136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.353229 (E_RNA)
where:
Base-Base interactions energy: -149.167
where: short stacking energy: -67.451
Base-Backbone interact. energy: -0.142
local terms energy: -71.044569
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 5.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 236
Temperature: 1.244250
Total energy: -214.913152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.913152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.036191 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.468
local terms energy: -77.623315
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 9.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 237
Temperature: 1.243800
Total energy: -217.468778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.468778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.629836 (E_RNA)
where:
Base-Base interactions energy: -138.367
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.060
local terms energy: -83.203106
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 4.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 238
Temperature: 1.243350
Total energy: -225.886868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.886868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.095935 (E_RNA)
where:
Base-Base interactions energy: -158.415
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.112
local terms energy: -70.569519
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 3.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 239
Temperature: 1.242900
Total energy: -218.675606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.675606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440262 (E_RNA)
where:
Base-Base interactions energy: -144.135
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.336
local terms energy: -77.969304
where:
bonds (distance) C4'-P energy: -21.096
bonds (distance) P-C4' energy: -19.022
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 3.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 240
Temperature: 1.242450
Total energy: -216.754894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.754894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.571155 (E_RNA)
where:
Base-Base interactions energy: -145.816
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.867
local terms energy: -75.888678
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 5.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 241
Temperature: 1.242000
Total energy: -194.419327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.419327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.232836 (E_RNA)
where:
Base-Base interactions energy: -133.997
where: short stacking energy: -56.705
Base-Backbone interact. energy: -0.947
local terms energy: -63.289256
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -9.632
Dist. restrs. and SS energy: 3.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 242
Temperature: 1.241550
Total energy: -236.063914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.063914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.615289 (E_RNA)
where:
Base-Base interactions energy: -163.295
where: short stacking energy: -82.944
Base-Backbone interact. energy: 0.129
local terms energy: -78.449575
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 5.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 243
Temperature: 1.241100
Total energy: -215.981770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.981770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.021933 (E_RNA)
where:
Base-Base interactions energy: -138.922
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.648
local terms energy: -82.451766
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 6.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 244
Temperature: 1.240650
Total energy: -209.997151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.997151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.503839 (E_RNA)
where:
Base-Base interactions energy: -141.349
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.900
local terms energy: -75.255096
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 7.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 245
Temperature: 1.240200
Total energy: -210.544036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.544036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.124569 (E_RNA)
where:
Base-Base interactions energy: -155.803
where: short stacking energy: -64.735
Base-Backbone interact. energy: -0.140
local terms energy: -60.182340
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -7.392
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 5.581 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 246
Temperature: 1.239750
Total energy: -221.638279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.638279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476491 (E_RNA)
where:
Base-Base interactions energy: -154.358
where: short stacking energy: -75.342
Base-Backbone interact. energy: -0.608
local terms energy: -74.510823
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 7.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 247
Temperature: 1.239300
Total energy: -215.988567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.988567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.096381 (E_RNA)
where:
Base-Base interactions energy: -143.039
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.321
local terms energy: -80.735664
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -20.535
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 8.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 248
Temperature: 1.238850
Total energy: -211.560598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.560598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.384204 (E_RNA)
where:
Base-Base interactions energy: -153.190
where: short stacking energy: -72.130
Base-Backbone interact. energy: -0.600
local terms energy: -64.594384
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 6.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 249
Temperature: 1.238400
Total energy: -216.387618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.387618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.176889 (E_RNA)
where:
Base-Base interactions energy: -157.559
where: short stacking energy: -59.636
Base-Backbone interact. energy: -1.592
local terms energy: -64.026389
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 6.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 250
Temperature: 1.237950
Total energy: -221.681277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.847555 (E_RNA)
where:
Base-Base interactions energy: -157.332
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.918
local terms energy: -68.597499
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 5.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 251
Temperature: 1.237500
Total energy: -211.349939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.349939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.358488 (E_RNA)
where:
Base-Base interactions energy: -144.558
where: short stacking energy: -61.485
Base-Backbone interact. energy: -0.211
local terms energy: -68.589180
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -7.624
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 2.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 252
Temperature: 1.237050
Total energy: -228.871761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.883541 (E_RNA)
where:
Base-Base interactions energy: -152.859
where: short stacking energy: -63.562
Base-Backbone interact. energy: 0.052
local terms energy: -80.077371
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 4.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 253
Temperature: 1.236600
Total energy: -209.463765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.463765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.680210 (E_RNA)
where:
Base-Base interactions energy: -138.073
where: short stacking energy: -60.092
Base-Backbone interact. energy: -0.686
local terms energy: -73.921627
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 254
Temperature: 1.236150
Total energy: -241.580653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.580653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.548379 (E_RNA)
where:
Base-Base interactions energy: -166.867
where: short stacking energy: -67.335
Base-Backbone interact. energy: -1.114
local terms energy: -75.567844
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 1.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 255
Temperature: 1.235700
Total energy: -225.684756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.684756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.485978 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -59.906
Base-Backbone interact. energy: -0.982
local terms energy: -78.744107
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 2.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 256
Temperature: 1.235250
Total energy: -251.086759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.086759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.313619 (E_RNA)
where:
Base-Base interactions energy: -169.788
where: short stacking energy: -70.695
Base-Backbone interact. energy: -0.491
local terms energy: -84.035058
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 3.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 257
Temperature: 1.234800
Total energy: -239.543640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.543640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.287209 (E_RNA)
where:
Base-Base interactions energy: -161.778
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.089
local terms energy: -79.419860
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 1.744 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 258
Temperature: 1.234350
Total energy: -242.018839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.018839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.820067 (E_RNA)
where:
Base-Base interactions energy: -164.875
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.197
local terms energy: -78.747390
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 1.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 259
Temperature: 1.233900
Total energy: -241.591499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.591499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.498918 (E_RNA)
where:
Base-Base interactions energy: -170.155
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.203
local terms energy: -75.141381
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 3.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 260
Temperature: 1.233450
Total energy: -234.459602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.459602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.697873 (E_RNA)
where:
Base-Base interactions energy: -164.396
where: short stacking energy: -60.016
Base-Backbone interact. energy: -0.092
local terms energy: -74.209703
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 4.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 261
Temperature: 1.233000
Total energy: -217.603831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.603831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.888280 (E_RNA)
where:
Base-Base interactions energy: -157.565
where: short stacking energy: -56.083
Base-Backbone interact. energy: -0.478
local terms energy: -65.845793
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 6.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 262
Temperature: 1.232550
Total energy: -236.603413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.603413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.485526 (E_RNA)
where:
Base-Base interactions energy: -169.830
where: short stacking energy: -65.998
Base-Backbone interact. energy: 0.494
local terms energy: -70.148648
where:
bonds (distance) C4'-P energy: -7.737
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 2.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 263
Temperature: 1.232100
Total energy: -215.708897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.708897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.018274 (E_RNA)
where:
Base-Base interactions energy: -153.189
where: short stacking energy: -48.966
Base-Backbone interact. energy: -0.338
local terms energy: -70.491075
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -7.980
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -12.096
Dist. restrs. and SS energy: 8.309 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 264
Temperature: 1.231650
Total energy: -214.299507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.299507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.672899 (E_RNA)
where:
Base-Base interactions energy: -144.415
where: short stacking energy: -64.050
Base-Backbone interact. energy: -0.499
local terms energy: -72.758415
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 3.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 265
Temperature: 1.231200
Total energy: -228.748315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.748315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.882196 (E_RNA)
where:
Base-Base interactions energy: -157.604
where: short stacking energy: -70.794
Base-Backbone interact. energy: -0.840
local terms energy: -78.438021
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 8.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 266
Temperature: 1.230750
Total energy: -222.504874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.504874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.973772 (E_RNA)
where:
Base-Base interactions energy: -155.259
where: short stacking energy: -65.336
Base-Backbone interact. energy: 0.385
local terms energy: -72.099292
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.556
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 4.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 267
Temperature: 1.230300
Total energy: -219.525898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.525898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.043612 (E_RNA)
where:
Base-Base interactions energy: -152.838
where: short stacking energy: -63.010
Base-Backbone interact. energy: -0.095
local terms energy: -74.110633
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 7.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 268
Temperature: 1.229850
Total energy: -241.186129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.186129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.210016 (E_RNA)
where:
Base-Base interactions energy: -168.292
where: short stacking energy: -73.038
Base-Backbone interact. energy: -0.239
local terms energy: -74.678436
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 2.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 269
Temperature: 1.229400
Total energy: -233.311959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.311959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.951541 (E_RNA)
where:
Base-Base interactions energy: -157.507
where: short stacking energy: -69.637
Base-Backbone interact. energy: -0.064
local terms energy: -78.381043
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 2.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 270
Temperature: 1.228950
Total energy: -249.798584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.798584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.294473 (E_RNA)
where:
Base-Base interactions energy: -166.107
where: short stacking energy: -73.187
Base-Backbone interact. energy: -0.230
local terms energy: -87.958055
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -18.082
Dist. restrs. and SS energy: 4.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 271
Temperature: 1.228500
Total energy: -229.412084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.412084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022845 (E_RNA)
where:
Base-Base interactions energy: -165.130
where: short stacking energy: -71.795
Base-Backbone interact. energy: 1.579
local terms energy: -68.472043
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 2.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 272
Temperature: 1.228050
Total energy: -234.864590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.864590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.428233 (E_RNA)
where:
Base-Base interactions energy: -166.569
where: short stacking energy: -73.701
Base-Backbone interact. energy: -0.076
local terms energy: -71.782586
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -19.309
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 3.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 273
Temperature: 1.227600
Total energy: -229.895540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.895540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.829675 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -60.743
Base-Backbone interact. energy: -0.626
local terms energy: -79.149108
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 274
Temperature: 1.227150
Total energy: -234.503508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.503508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.258380 (E_RNA)
where:
Base-Base interactions energy: -156.498
where: short stacking energy: -67.740
Base-Backbone interact. energy: 2.376
local terms energy: -83.136219
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 275
Temperature: 1.226700
Total energy: -227.785771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.785771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.870110 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -64.885
Base-Backbone interact. energy: -0.849
local terms energy: -86.958859
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 2.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 276
Temperature: 1.226250
Total energy: -216.992659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.992659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.377502 (E_RNA)
where:
Base-Base interactions energy: -159.373
where: short stacking energy: -66.413
Base-Backbone interact. energy: 0.558
local terms energy: -61.562091
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 3.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 277
Temperature: 1.225800
Total energy: -229.744221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.744221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.067304 (E_RNA)
where:
Base-Base interactions energy: -156.899
where: short stacking energy: -72.670
Base-Backbone interact. energy: -1.367
local terms energy: -75.801091
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 4.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 278
Temperature: 1.225350
Total energy: -226.604831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.604831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.256161 (E_RNA)
where:
Base-Base interactions energy: -157.541
where: short stacking energy: -77.289
Base-Backbone interact. energy: -0.126
local terms energy: -73.589558
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 4.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 279
Temperature: 1.224900
Total energy: -237.875909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.875909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.255551 (E_RNA)
where:
Base-Base interactions energy: -157.082
where: short stacking energy: -76.513
Base-Backbone interact. energy: -0.992
local terms energy: -82.181596
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 280
Temperature: 1.224450
Total energy: -223.163831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.163831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.315686 (E_RNA)
where:
Base-Base interactions energy: -152.571
where: short stacking energy: -62.543
Base-Backbone interact. energy: -1.381
local terms energy: -71.363852
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 2.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 281
Temperature: 1.224000
Total energy: -226.890493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.890493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.142586 (E_RNA)
where:
Base-Base interactions energy: -150.115
where: short stacking energy: -69.325
Base-Backbone interact. energy: -0.822
local terms energy: -79.205389
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 3.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 282
Temperature: 1.223550
Total energy: -246.261866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.261866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.170474 (E_RNA)
where:
Base-Base interactions energy: -156.187
where: short stacking energy: -77.103
Base-Backbone interact. energy: -0.106
local terms energy: -94.877522
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -21.144
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 4.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 283
Temperature: 1.223100
Total energy: -226.727778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.727778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.906831 (E_RNA)
where:
Base-Base interactions energy: -160.811
where: short stacking energy: -73.184
Base-Backbone interact. energy: -1.877
local terms energy: -68.218665
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 4.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 284
Temperature: 1.222650
Total energy: -230.443211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.443211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.072312 (E_RNA)
where:
Base-Base interactions energy: -158.512
where: short stacking energy: -72.957
Base-Backbone interact. energy: -1.316
local terms energy: -73.244637
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 2.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 285
Temperature: 1.222200
Total energy: -226.523555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.523555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.035139 (E_RNA)
where:
Base-Base interactions energy: -154.338
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.972
local terms energy: -73.725713
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 2.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 286
Temperature: 1.221750
Total energy: -224.340150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.340150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.941054 (E_RNA)
where:
Base-Base interactions energy: -150.173
where: short stacking energy: -72.036
Base-Backbone interact. energy: 0.320
local terms energy: -79.088565
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 4.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 287
Temperature: 1.221300
Total energy: -227.954133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.954133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.180099 (E_RNA)
where:
Base-Base interactions energy: -150.105
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.246
local terms energy: -78.829960
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 1.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 288
Temperature: 1.220850
Total energy: -222.830408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.830408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.214612 (E_RNA)
where:
Base-Base interactions energy: -149.859
where: short stacking energy: -70.125
Base-Backbone interact. energy: -0.504
local terms energy: -77.851069
where:
bonds (distance) C4'-P energy: -16.931
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 5.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 289
Temperature: 1.220400
Total energy: -214.380451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.380451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.639250 (E_RNA)
where:
Base-Base interactions energy: -154.189
where: short stacking energy: -80.483
Base-Backbone interact. energy: 0.932
local terms energy: -64.382249
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 3.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 290
Temperature: 1.219950
Total energy: -212.434745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.434745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.128548 (E_RNA)
where:
Base-Base interactions energy: -142.339
where: short stacking energy: -66.321
Base-Backbone interact. energy: -1.180
local terms energy: -72.608772
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 3.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 291
Temperature: 1.219500
Total energy: -223.906947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.906947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.331513 (E_RNA)
where:
Base-Base interactions energy: -159.015
where: short stacking energy: -72.791
Base-Backbone interact. energy: 1.196
local terms energy: -69.512387
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -19.396
Dist. restrs. and SS energy: 3.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 292
Temperature: 1.219050
Total energy: -228.729603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.729603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.639006 (E_RNA)
where:
Base-Base interactions energy: -157.154
where: short stacking energy: -65.147
Base-Backbone interact. energy: 1.592
local terms energy: -81.077140
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 7.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 293
Temperature: 1.218600
Total energy: -211.832331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.832331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.301173 (E_RNA)
where:
Base-Base interactions energy: -140.435
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.094
local terms energy: -75.771588
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 4.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 294
Temperature: 1.218150
Total energy: -228.232158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.232158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.843979 (E_RNA)
where:
Base-Base interactions energy: -156.219
where: short stacking energy: -67.712
Base-Backbone interact. energy: -2.255
local terms energy: -72.369926
where:
bonds (distance) C4'-P energy: -20.872
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 295
Temperature: 1.217700
Total energy: -225.904296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.904296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.656642 (E_RNA)
where:
Base-Base interactions energy: -164.868
where: short stacking energy: -69.566
Base-Backbone interact. energy: 3.467
local terms energy: -67.255360
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 2.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 296
Temperature: 1.217250
Total energy: -228.805647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.805647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.026618 (E_RNA)
where:
Base-Base interactions energy: -162.829
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.819
local terms energy: -67.378862
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -22.867
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -3.203
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 2.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 297
Temperature: 1.216800
Total energy: -187.924081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.815263 (E_RNA)
where:
Base-Base interactions energy: -126.620
where: short stacking energy: -69.043
Base-Backbone interact. energy: -0.057
local terms energy: -68.139090
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 6.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 298
Temperature: 1.216350
Total energy: -217.738391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.738391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.863733 (E_RNA)
where:
Base-Base interactions energy: -148.466
where: short stacking energy: -65.812
Base-Backbone interact. energy: -0.172
local terms energy: -73.226230
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 4.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 299
Temperature: 1.215900
Total energy: -233.599496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.599496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.266570 (E_RNA)
where:
Base-Base interactions energy: -170.723
where: short stacking energy: -81.595
Base-Backbone interact. energy: 3.480
local terms energy: -71.022945
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 4.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 300
Temperature: 1.215450
Total energy: -217.802857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.802857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.780100 (E_RNA)
where:
Base-Base interactions energy: -150.896
where: short stacking energy: -67.833
Base-Backbone interact. energy: 1.021
local terms energy: -73.905666
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -17.369
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 5.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 301
Temperature: 1.215000
Total energy: -215.402494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.402494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.154844 (E_RNA)
where:
Base-Base interactions energy: -135.801
where: short stacking energy: -65.523
Base-Backbone interact. energy: -0.259
local terms energy: -84.095208
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 4.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 302
Temperature: 1.214550
Total energy: -213.480579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.516775 (E_RNA)
where:
Base-Base interactions energy: -148.484
where: short stacking energy: -58.752
Base-Backbone interact. energy: 0.877
local terms energy: -67.909582
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 2.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 303
Temperature: 1.214100
Total energy: -207.955879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.955879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253598 (E_RNA)
where:
Base-Base interactions energy: -130.183
where: short stacking energy: -60.648
Base-Backbone interact. energy: -0.798
local terms energy: -82.272480
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 5.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 304
Temperature: 1.213650
Total energy: -216.328228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.328228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.324846 (E_RNA)
where:
Base-Base interactions energy: -156.741
where: short stacking energy: -70.510
Base-Backbone interact. energy: -0.054
local terms energy: -64.529705
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 4.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 305
Temperature: 1.213200
Total energy: -213.739237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.739237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.462965 (E_RNA)
where:
Base-Base interactions energy: -141.458
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.042
local terms energy: -74.962945
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 2.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 306
Temperature: 1.212750
Total energy: -195.784321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.784321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.599217 (E_RNA)
where:
Base-Base interactions energy: -137.976
where: short stacking energy: -65.295
Base-Backbone interact. energy: 0.963
local terms energy: -61.585830
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 307
Temperature: 1.212300
Total energy: -197.182868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.182868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.504381 (E_RNA)
where:
Base-Base interactions energy: -139.368
where: short stacking energy: -60.249
Base-Backbone interact. energy: -0.408
local terms energy: -64.728390
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -15.484
Dist. restrs. and SS energy: 7.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 308
Temperature: 1.211850
Total energy: -223.213955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.213955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.100053 (E_RNA)
where:
Base-Base interactions energy: -153.586
where: short stacking energy: -73.125
Base-Backbone interact. energy: 0.745
local terms energy: -74.259355
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 3.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 309
Temperature: 1.211400
Total energy: -212.852527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.852527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.489154 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -61.388
Base-Backbone interact. energy: -0.098
local terms energy: -76.992541
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 7.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 310
Temperature: 1.210950
Total energy: -215.616258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.616258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.187940 (E_RNA)
where:
Base-Base interactions energy: -139.754
where: short stacking energy: -67.422
Base-Backbone interact. energy: -0.584
local terms energy: -77.850427
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 2.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 311
Temperature: 1.210500
Total energy: -203.357223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.357223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.961667 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.135
local terms energy: -71.117899
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -15.628
Dist. restrs. and SS energy: 2.604 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 312
Temperature: 1.210050
Total energy: -194.326975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.326975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.342812 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -52.039
Base-Backbone interact. energy: -1.049
local terms energy: -65.965021
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -5.548
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 5.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 313
Temperature: 1.209600
Total energy: -213.306626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.306626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.730275 (E_RNA)
where:
Base-Base interactions energy: -137.396
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.044
local terms energy: -81.290479
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 5.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 314
Temperature: 1.209150
Total energy: -222.083481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.083481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.771079 (E_RNA)
where:
Base-Base interactions energy: -147.742
where: short stacking energy: -62.674
Base-Backbone interact. energy: 0.752
local terms energy: -79.781377
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 4.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 315
Temperature: 1.208700
Total energy: -224.511195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.511195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.853409 (E_RNA)
where:
Base-Base interactions energy: -164.139
where: short stacking energy: -76.119
Base-Backbone interact. energy: -0.761
local terms energy: -62.952924
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -6.824
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -23.851
Dist. restrs. and SS energy: 3.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 316
Temperature: 1.208250
Total energy: -219.221458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.221458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.677165 (E_RNA)
where:
Base-Base interactions energy: -160.751
where: short stacking energy: -68.569
Base-Backbone interact. energy: 2.204
local terms energy: -65.129780
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 4.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 317
Temperature: 1.207800
Total energy: -225.837274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.837274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.160577 (E_RNA)
where:
Base-Base interactions energy: -149.167
where: short stacking energy: -72.497
Base-Backbone interact. energy: -2.724
local terms energy: -81.269290
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 7.323 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 318
Temperature: 1.207350
Total energy: -232.087960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.087960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.070868 (E_RNA)
where:
Base-Base interactions energy: -161.887
where: short stacking energy: -73.293
Base-Backbone interact. energy: -1.107
local terms energy: -75.076823
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 5.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 319
Temperature: 1.206900
Total energy: -216.553174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.553174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.259778 (E_RNA)
where:
Base-Base interactions energy: -155.618
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.799
local terms energy: -63.843593
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -14.016
Dist. restrs. and SS energy: 3.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 320
Temperature: 1.206450
Total energy: -213.511781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.511781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.412375 (E_RNA)
where:
Base-Base interactions energy: -149.033
where: short stacking energy: -70.530
Base-Backbone interact. energy: -0.475
local terms energy: -72.904287
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 8.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 321
Temperature: 1.206000
Total energy: -212.971269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.971269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.835337 (E_RNA)
where:
Base-Base interactions energy: -149.675
where: short stacking energy: -73.669
Base-Backbone interact. energy: -0.489
local terms energy: -71.671037
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 8.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 322
Temperature: 1.205550
Total energy: -224.377773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.377773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.894559 (E_RNA)
where:
Base-Base interactions energy: -155.621
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.427
local terms energy: -71.846191
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 3.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 323
Temperature: 1.205100
Total energy: -215.859421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.859421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.883869 (E_RNA)
where:
Base-Base interactions energy: -143.953
where: short stacking energy: -63.706
Base-Backbone interact. energy: -0.139
local terms energy: -75.791719
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 4.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 324
Temperature: 1.204650
Total energy: -224.657509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.657509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.324763 (E_RNA)
where:
Base-Base interactions energy: -157.014
where: short stacking energy: -73.643
Base-Backbone interact. energy: 2.236
local terms energy: -74.546370
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -5.267
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 4.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 325
Temperature: 1.204200
Total energy: -232.253436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.253436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.212453 (E_RNA)
where:
Base-Base interactions energy: -162.273
where: short stacking energy: -73.764
Base-Backbone interact. energy: -0.329
local terms energy: -74.610223
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 4.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 326
Temperature: 1.203750
Total energy: -229.211438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.211438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.090989 (E_RNA)
where:
Base-Base interactions energy: -164.766
where: short stacking energy: -82.998
Base-Backbone interact. energy: -0.166
local terms energy: -71.158889
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 6.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 327
Temperature: 1.203300
Total energy: -229.067893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.067893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.882687 (E_RNA)
where:
Base-Base interactions energy: -154.423
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.403
local terms energy: -80.056170
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 5.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 328
Temperature: 1.202850
Total energy: -226.529496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.529496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.699200 (E_RNA)
where:
Base-Base interactions energy: -155.342
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.279
local terms energy: -79.078034
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -18.088
Dist. restrs. and SS energy: 8.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 329
Temperature: 1.202400
Total energy: -224.075777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.075777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.993931 (E_RNA)
where:
Base-Base interactions energy: -146.857
where: short stacking energy: -56.580
Base-Backbone interact. energy: -1.973
local terms energy: -81.163975
where:
bonds (distance) C4'-P energy: -20.543
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 5.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 330
Temperature: 1.201950
Total energy: -233.127794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.737112 (E_RNA)
where:
Base-Base interactions energy: -164.838
where: short stacking energy: -63.626
Base-Backbone interact. energy: -1.608
local terms energy: -69.291255
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 331
Temperature: 1.201500
Total energy: -220.780332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.780332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.393664 (E_RNA)
where:
Base-Base interactions energy: -148.480
where: short stacking energy: -64.732
Base-Backbone interact. energy: 1.617
local terms energy: -77.530511
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 3.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 332
Temperature: 1.201050
Total energy: -224.044242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.044242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.588732 (E_RNA)
where:
Base-Base interactions energy: -152.229
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.910
local terms energy: -75.450442
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -19.077
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 4.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 333
Temperature: 1.200600
Total energy: -224.973514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.973514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.207806 (E_RNA)
where:
Base-Base interactions energy: -157.749
where: short stacking energy: -68.112
Base-Backbone interact. energy: -1.827
local terms energy: -68.631545
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 3.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 334
Temperature: 1.200150
Total energy: -226.965870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.965870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.688573 (E_RNA)
where:
Base-Base interactions energy: -154.479
where: short stacking energy: -79.223
Base-Backbone interact. energy: 1.614
local terms energy: -80.823749
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -21.920
Dist. restrs. and SS energy: 6.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 335
Temperature: 1.199700
Total energy: -224.807105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.807105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.784363 (E_RNA)
where:
Base-Base interactions energy: -159.896
where: short stacking energy: -72.569
Base-Backbone interact. energy: -0.827
local terms energy: -69.061001
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -16.883
Dist. restrs. and SS energy: 4.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 336
Temperature: 1.199250
Total energy: -216.943747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.943747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.517504 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -62.457
Base-Backbone interact. energy: -0.274
local terms energy: -76.454115
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 6.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 337
Temperature: 1.198800
Total energy: -225.981831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.981831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.008269 (E_RNA)
where:
Base-Base interactions energy: -157.889
where: short stacking energy: -70.061
Base-Backbone interact. energy: -1.037
local terms energy: -70.081947
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 3.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 338
Temperature: 1.198350
Total energy: -224.513270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.513270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.339809 (E_RNA)
where:
Base-Base interactions energy: -159.909
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.441
local terms energy: -66.989052
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 2.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 339
Temperature: 1.197900
Total energy: -229.823992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.823992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.138326 (E_RNA)
where:
Base-Base interactions energy: -154.161
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.343
local terms energy: -79.634552
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 4.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 340
Temperature: 1.197450
Total energy: -225.449286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.449286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.276223 (E_RNA)
where:
Base-Base interactions energy: -144.980
where: short stacking energy: -68.892
Base-Backbone interact. energy: -0.505
local terms energy: -82.790892
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 2.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 341
Temperature: 1.197000
Total energy: -238.908523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.908523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.543886 (E_RNA)
where:
Base-Base interactions energy: -158.586
where: short stacking energy: -77.357
Base-Backbone interact. energy: -0.908
local terms energy: -83.050522
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 3.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 342
Temperature: 1.196550
Total energy: -234.895171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.895171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.115797 (E_RNA)
where:
Base-Base interactions energy: -155.268
where: short stacking energy: -74.464
Base-Backbone interact. energy: -0.349
local terms energy: -82.498882
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 3.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 343
Temperature: 1.196100
Total energy: -235.902305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.902305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.196002 (E_RNA)
where:
Base-Base interactions energy: -153.625
where: short stacking energy: -72.606
Base-Backbone interact. energy: -0.855
local terms energy: -84.716687
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 3.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 344
Temperature: 1.195650
Total energy: -238.677908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.677908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.824699 (E_RNA)
where:
Base-Base interactions energy: -157.922
where: short stacking energy: -75.290
Base-Backbone interact. energy: -1.252
local terms energy: -85.650955
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 6.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 345
Temperature: 1.195200
Total energy: -224.265028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.413307 (E_RNA)
where:
Base-Base interactions energy: -145.726
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.454
local terms energy: -83.233133
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 5.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 346
Temperature: 1.194750
Total energy: -232.759081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.759081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.903154 (E_RNA)
where:
Base-Base interactions energy: -154.746
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.910
local terms energy: -82.246872
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -17.518
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 5.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 347
Temperature: 1.194300
Total energy: -226.817594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.817594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.816663 (E_RNA)
where:
Base-Base interactions energy: -157.656
where: short stacking energy: -75.188
Base-Backbone interact. energy: -0.300
local terms energy: -72.861042
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 3.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 348
Temperature: 1.193850
Total energy: -228.085131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.085131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.748890 (E_RNA)
where:
Base-Base interactions energy: -156.109
where: short stacking energy: -70.105
Base-Backbone interact. energy: 0.134
local terms energy: -77.773876
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 5.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 349
Temperature: 1.193400
Total energy: -231.213840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.213840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.539362 (E_RNA)
where:
Base-Base interactions energy: -159.032
where: short stacking energy: -70.691
Base-Backbone interact. energy: -1.325
local terms energy: -75.182522
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -16.941
tors. eta vs tors. theta energy: -14.676
Dist. restrs. and SS energy: 4.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 350
Temperature: 1.192950
Total energy: -228.879095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.879095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.340745 (E_RNA)
where:
Base-Base interactions energy: -152.404
where: short stacking energy: -69.389
Base-Backbone interact. energy: -0.104
local terms energy: -81.832443
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 5.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 351
Temperature: 1.192500
Total energy: -230.182305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.182305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.534952 (E_RNA)
where:
Base-Base interactions energy: -163.678
where: short stacking energy: -73.768
Base-Backbone interact. energy: -0.826
local terms energy: -68.031312
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -5.483
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 2.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 352
Temperature: 1.192050
Total energy: -220.336618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.336618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.530644 (E_RNA)
where:
Base-Base interactions energy: -149.065
where: short stacking energy: -67.603
Base-Backbone interact. energy: -0.430
local terms energy: -73.035742
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 353
Temperature: 1.191600
Total energy: -235.990170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.990170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.693688 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -70.304
Base-Backbone interact. energy: -0.546
local terms energy: -83.436664
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 2.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 354
Temperature: 1.191150
Total energy: -246.101401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.101401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.827221 (E_RNA)
where:
Base-Base interactions energy: -168.021
where: short stacking energy: -69.761
Base-Backbone interact. energy: -0.057
local terms energy: -80.749440
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 2.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 355
Temperature: 1.190700
Total energy: -227.383693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.383693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.463800 (E_RNA)
where:
Base-Base interactions energy: -156.770
where: short stacking energy: -71.391
Base-Backbone interact. energy: -1.246
local terms energy: -71.447717
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 2.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 356
Temperature: 1.190250
Total energy: -237.645742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.645742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.044669 (E_RNA)
where:
Base-Base interactions energy: -156.293
where: short stacking energy: -73.864
Base-Backbone interact. energy: -0.611
local terms energy: -85.141243
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -22.893
Dist. restrs. and SS energy: 4.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 357
Temperature: 1.189800
Total energy: -252.717630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.717630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.253191 (E_RNA)
where:
Base-Base interactions energy: -165.945
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.012
local terms energy: -90.296521
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 3.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 358
Temperature: 1.189350
Total energy: -249.917835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.917835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.205185 (E_RNA)
where:
Base-Base interactions energy: -168.142
where: short stacking energy: -73.821
Base-Backbone interact. energy: 0.279
local terms energy: -84.341804
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 2.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 359
Temperature: 1.188900
Total energy: -243.158765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.158765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.932544 (E_RNA)
where:
Base-Base interactions energy: -164.023
where: short stacking energy: -79.723
Base-Backbone interact. energy: -0.426
local terms energy: -81.484187
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -20.548
Dist. restrs. and SS energy: 2.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 360
Temperature: 1.188450
Total energy: -238.506238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.506238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.539001 (E_RNA)
where:
Base-Base interactions energy: -153.402
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.076
local terms energy: -87.061357
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 2.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 361
Temperature: 1.188000
Total energy: -237.927844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.927844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.819319 (E_RNA)
where:
Base-Base interactions energy: -157.066
where: short stacking energy: -71.973
Base-Backbone interact. energy: -0.007
local terms energy: -83.745827
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 2.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 362
Temperature: 1.187550
Total energy: -222.250001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.250001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.600634 (E_RNA)
where:
Base-Base interactions energy: -151.666
where: short stacking energy: -68.131
Base-Backbone interact. energy: 2.493
local terms energy: -75.427520
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 2.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 363
Temperature: 1.187100
Total energy: -259.075422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.075422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.323598 (E_RNA)
where:
Base-Base interactions energy: -180.259
where: short stacking energy: -85.900
Base-Backbone interact. energy: -0.078
local terms energy: -80.986793
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -25.379
Dist. restrs. and SS energy: 2.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 364
Temperature: 1.186650
Total energy: -241.439458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.439458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.329805 (E_RNA)
where:
Base-Base interactions energy: -150.491
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.001
local terms energy: -92.837730
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 1.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 365
Temperature: 1.186200
Total energy: -254.180045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.180045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.551157 (E_RNA)
where:
Base-Base interactions energy: -175.872
where: short stacking energy: -81.320
Base-Backbone interact. energy: -0.985
local terms energy: -79.694442
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -24.015
Dist. restrs. and SS energy: 2.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 366
Temperature: 1.185750
Total energy: -243.138520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.138520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.214892 (E_RNA)
where:
Base-Base interactions energy: -173.316
where: short stacking energy: -90.616
Base-Backbone interact. energy: -0.182
local terms energy: -71.717558
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -23.617
Dist. restrs. and SS energy: 2.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 367
Temperature: 1.185300
Total energy: -261.456653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.456653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.523424 (E_RNA)
where:
Base-Base interactions energy: -171.630
where: short stacking energy: -79.789
Base-Backbone interact. energy: -0.301
local terms energy: -91.591816
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -23.263
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 2.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 368
Temperature: 1.184850
Total energy: -228.485960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.485960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.184697 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -78.895
Base-Backbone interact. energy: -0.596
local terms energy: -74.673465
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 4.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 369
Temperature: 1.184400
Total energy: -240.455413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.455413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.611345 (E_RNA)
where:
Base-Base interactions energy: -166.723
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.111
local terms energy: -75.777115
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 2.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 370
Temperature: 1.183950
Total energy: -250.028801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.028801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.428340 (E_RNA)
where:
Base-Base interactions energy: -164.917
where: short stacking energy: -61.603
Base-Backbone interact. energy: -1.115
local terms energy: -86.396268
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 371
Temperature: 1.183500
Total energy: -235.408972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.408972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.546443 (E_RNA)
where:
Base-Base interactions energy: -159.808
where: short stacking energy: -67.982
Base-Backbone interact. energy: -0.675
local terms energy: -78.063672
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -8.205
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 3.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 372
Temperature: 1.183050
Total energy: -244.545156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.545156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.109669 (E_RNA)
where:
Base-Base interactions energy: -170.821
where: short stacking energy: -77.609
Base-Backbone interact. energy: -0.115
local terms energy: -75.173812
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 373
Temperature: 1.182600
Total energy: -231.025816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.025816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.545946 (E_RNA)
where:
Base-Base interactions energy: -148.296
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.446
local terms energy: -84.804014
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 2.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 374
Temperature: 1.182150
Total energy: -230.037912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.037912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.860793 (E_RNA)
where:
Base-Base interactions energy: -158.337
where: short stacking energy: -70.157
Base-Backbone interact. energy: -0.917
local terms energy: -75.606416
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 4.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 375
Temperature: 1.181700
Total energy: -240.054724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.054724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.021443 (E_RNA)
where:
Base-Base interactions energy: -165.623
where: short stacking energy: -69.477
Base-Backbone interact. energy: -0.469
local terms energy: -75.929533
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 1.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 376
Temperature: 1.181250
Total energy: -259.612511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.612511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.585704 (E_RNA)
where:
Base-Base interactions energy: -177.624
where: short stacking energy: -79.132
Base-Backbone interact. energy: -0.204
local terms energy: -83.757738
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 1.973 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 377
Temperature: 1.180800
Total energy: -252.880921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.880921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.265315 (E_RNA)
where:
Base-Base interactions energy: -168.848
where: short stacking energy: -74.058
Base-Backbone interact. energy: -2.193
local terms energy: -84.225096
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 2.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 378
Temperature: 1.180350
Total energy: -242.387379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.387379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.942722 (E_RNA)
where:
Base-Base interactions energy: -170.560
where: short stacking energy: -79.286
Base-Backbone interact. energy: -0.922
local terms energy: -73.460464
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 2.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 379
Temperature: 1.179900
Total energy: -247.209605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.209605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.545063 (E_RNA)
where:
Base-Base interactions energy: -165.344
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.236
local terms energy: -84.964711
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -15.929
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 3.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 380
Temperature: 1.179450
Total energy: -248.195456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.195456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.526859 (E_RNA)
where:
Base-Base interactions energy: -182.928
where: short stacking energy: -77.905
Base-Backbone interact. energy: -0.384
local terms energy: -67.215061
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 381
Temperature: 1.179000
Total energy: -261.560375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.560375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.681169 (E_RNA)
where:
Base-Base interactions energy: -179.485
where: short stacking energy: -81.689
Base-Backbone interact. energy: 0.093
local terms energy: -83.288666
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 1.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 382
Temperature: 1.178550
Total energy: -246.018168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.018168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.785775 (E_RNA)
where:
Base-Base interactions energy: -161.613
where: short stacking energy: -75.762
Base-Backbone interact. energy: -1.331
local terms energy: -84.841804
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 1.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 383
Temperature: 1.178100
Total energy: -255.040840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.040840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.161902 (E_RNA)
where:
Base-Base interactions energy: -173.183
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.065
local terms energy: -83.914294
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 2.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 384
Temperature: 1.177650
Total energy: -252.958463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.958463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.621355 (E_RNA)
where:
Base-Base interactions energy: -170.557
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.060
local terms energy: -84.004319
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 1.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 385
Temperature: 1.177200
Total energy: -238.723785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.723785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.355336 (E_RNA)
where:
Base-Base interactions energy: -157.209
where: short stacking energy: -80.113
Base-Backbone interact. energy: -0.002
local terms energy: -86.144276
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 4.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 386
Temperature: 1.176750
Total energy: -234.833330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.833330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.608935 (E_RNA)
where:
Base-Base interactions energy: -162.039
where: short stacking energy: -79.081
Base-Backbone interact. energy: -0.710
local terms energy: -76.859350
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 4.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 387
Temperature: 1.176300
Total energy: -243.568367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.568367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.056395 (E_RNA)
where:
Base-Base interactions energy: -165.575
where: short stacking energy: -77.078
Base-Backbone interact. energy: -1.607
local terms energy: -80.874364
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 4.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 388
Temperature: 1.175850
Total energy: -229.503930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.503930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.309035 (E_RNA)
where:
Base-Base interactions energy: -150.686
where: short stacking energy: -74.724
Base-Backbone interact. energy: -0.921
local terms energy: -82.701553
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 4.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 389
Temperature: 1.175400
Total energy: -243.436595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.436595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.414246 (E_RNA)
where:
Base-Base interactions energy: -162.070
where: short stacking energy: -71.350
Base-Backbone interact. energy: -0.923
local terms energy: -83.420633
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 2.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 390
Temperature: 1.174950
Total energy: -237.184230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.184230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.430124 (E_RNA)
where:
Base-Base interactions energy: -163.587
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.009
local terms energy: -78.834309
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 5.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 391
Temperature: 1.174500
Total energy: -228.009814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.009814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.999435 (E_RNA)
where:
Base-Base interactions energy: -145.954
where: short stacking energy: -66.494
Base-Backbone interact. energy: -0.447
local terms energy: -86.598333
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 4.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 392
Temperature: 1.174050
Total energy: -248.644149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.644149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.210629 (E_RNA)
where:
Base-Base interactions energy: -167.357
where: short stacking energy: -80.162
Base-Backbone interact. energy: -0.914
local terms energy: -82.939141
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -20.896
Dist. restrs. and SS energy: 2.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 393
Temperature: 1.173600
Total energy: -237.895467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.895467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.523851 (E_RNA)
where:
Base-Base interactions energy: -160.422
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.029
local terms energy: -82.072545
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 4.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 394
Temperature: 1.173150
Total energy: -221.982301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.982301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.253851 (E_RNA)
where:
Base-Base interactions energy: -145.290
where: short stacking energy: -65.361
Base-Backbone interact. energy: -0.303
local terms energy: -79.660951
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 3.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 395
Temperature: 1.172700
Total energy: -235.083390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.083390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.690297 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -63.996
Base-Backbone interact. energy: -0.088
local terms energy: -71.403735
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 2.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 396
Temperature: 1.172250
Total energy: -219.527866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.527866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.600999 (E_RNA)
where:
Base-Base interactions energy: -162.520
where: short stacking energy: -77.658
Base-Backbone interact. energy: -1.131
local terms energy: -58.950704
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 3.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 397
Temperature: 1.171800
Total energy: -238.431678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.431678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.984996 (E_RNA)
where:
Base-Base interactions energy: -165.919
where: short stacking energy: -81.437
Base-Backbone interact. energy: -0.024
local terms energy: -75.041940
where:
bonds (distance) C4'-P energy: -7.769
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 2.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 398
Temperature: 1.171350
Total energy: -232.576506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.576506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.375389 (E_RNA)
where:
Base-Base interactions energy: -158.394
where: short stacking energy: -72.451
Base-Backbone interact. energy: 0.022
local terms energy: -78.002858
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 3.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 399
Temperature: 1.170900
Total energy: -218.096239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.096239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.960530 (E_RNA)
where:
Base-Base interactions energy: -151.515
where: short stacking energy: -69.067
Base-Backbone interact. energy: 0.533
local terms energy: -72.978173
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 5.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 400
Temperature: 1.170450
Total energy: -219.789674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.789674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.046653 (E_RNA)
where:
Base-Base interactions energy: -147.268
where: short stacking energy: -69.225
Base-Backbone interact. energy: -1.116
local terms energy: -75.662181
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -11.734
Dist. restrs. and SS energy: 4.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 401
Temperature: 1.170000
Total energy: -237.463048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.463048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.629009 (E_RNA)
where:
Base-Base interactions energy: -155.198
where: short stacking energy: -69.585
Base-Backbone interact. energy: 0.024
local terms energy: -86.454296
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 4.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 402
Temperature: 1.169550
Total energy: -236.090688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.090688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.227613 (E_RNA)
where:
Base-Base interactions energy: -152.311
where: short stacking energy: -68.337
Base-Backbone interact. energy: -1.253
local terms energy: -87.664236
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 5.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 403
Temperature: 1.169100
Total energy: -237.450270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.450270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.402765 (E_RNA)
where:
Base-Base interactions energy: -159.288
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.099
local terms energy: -81.015151
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 2.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 404
Temperature: 1.168650
Total energy: -239.255799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.255799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.518996 (E_RNA)
where:
Base-Base interactions energy: -155.233
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.213
local terms energy: -91.072581
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 7.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 405
Temperature: 1.168200
Total energy: -221.970763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.970763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.194816 (E_RNA)
where:
Base-Base interactions energy: -164.633
where: short stacking energy: -70.754
Base-Backbone interact. energy: -0.701
local terms energy: -64.861223
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 8.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 406
Temperature: 1.167750
Total energy: -221.946006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.946006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.383009 (E_RNA)
where:
Base-Base interactions energy: -145.522
where: short stacking energy: -57.991
Base-Backbone interact. energy: -0.542
local terms energy: -77.318307
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 1.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 407
Temperature: 1.167300
Total energy: -226.476233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.476233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.670225 (E_RNA)
where:
Base-Base interactions energy: -163.796
where: short stacking energy: -65.601
Base-Backbone interact. energy: -0.863
local terms energy: -66.010832
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 4.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 408
Temperature: 1.166850
Total energy: -229.169870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.169870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.886831 (E_RNA)
where:
Base-Base interactions energy: -160.330
where: short stacking energy: -73.661
Base-Backbone interact. energy: 4.491
local terms energy: -77.048043
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -14.771
Dist. restrs. and SS energy: 3.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 409
Temperature: 1.166400
Total energy: -237.568467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.568467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.092612 (E_RNA)
where:
Base-Base interactions energy: -154.818
where: short stacking energy: -64.753
Base-Backbone interact. energy: -0.101
local terms energy: -85.172960
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 2.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 410
Temperature: 1.165950
Total energy: -248.242886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.242886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.208852 (E_RNA)
where:
Base-Base interactions energy: -164.787
where: short stacking energy: -74.734
Base-Backbone interact. energy: -0.029
local terms energy: -85.392876
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 1.966 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 411
Temperature: 1.165500
Total energy: -236.747904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.747904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.166219 (E_RNA)
where:
Base-Base interactions energy: -158.802
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.475
local terms energy: -84.889185
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 7.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 412
Temperature: 1.165050
Total energy: -229.409224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.409224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.463727 (E_RNA)
where:
Base-Base interactions energy: -147.879
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.161
local terms energy: -84.423104
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 3.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 413
Temperature: 1.164600
Total energy: -242.730660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.730660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.538634 (E_RNA)
where:
Base-Base interactions energy: -161.874
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.162
local terms energy: -83.502346
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 414
Temperature: 1.164150
Total energy: -265.296804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.296804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.905484 (E_RNA)
where:
Base-Base interactions energy: -175.381
where: short stacking energy: -86.631
Base-Backbone interact. energy: -0.801
local terms energy: -91.724303
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 2.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 415
Temperature: 1.163700
Total energy: -254.654618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.654618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.385663 (E_RNA)
where:
Base-Base interactions energy: -176.838
where: short stacking energy: -80.067
Base-Backbone interact. energy: -0.248
local terms energy: -80.299693
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 2.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 416
Temperature: 1.163250
Total energy: -235.869264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.869264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.009111 (E_RNA)
where:
Base-Base interactions energy: -156.767
where: short stacking energy: -73.069
Base-Backbone interact. energy: -1.662
local terms energy: -80.579892
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 3.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 417
Temperature: 1.162800
Total energy: -237.371265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.371265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.471454 (E_RNA)
where:
Base-Base interactions energy: -158.077
where: short stacking energy: -81.600
Base-Backbone interact. energy: -0.805
local terms energy: -82.589915
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 4.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 418
Temperature: 1.162350
Total energy: -237.990778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.990778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.771496 (E_RNA)
where:
Base-Base interactions energy: -165.575
where: short stacking energy: -82.108
Base-Backbone interact. energy: 0.468
local terms energy: -75.664631
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -19.910
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 2.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 419
Temperature: 1.161900
Total energy: -236.696294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.696294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.972838 (E_RNA)
where:
Base-Base interactions energy: -163.810
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.649
local terms energy: -74.513770
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 2.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 420
Temperature: 1.161450
Total energy: -231.192342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.192342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.746611 (E_RNA)
where:
Base-Base interactions energy: -161.108
where: short stacking energy: -65.614
Base-Backbone interact. energy: -1.077
local terms energy: -72.562102
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 3.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 421
Temperature: 1.161000
Total energy: -250.352292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.352292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.556347 (E_RNA)
where:
Base-Base interactions energy: -175.962
where: short stacking energy: -78.530
Base-Backbone interact. energy: -0.006
local terms energy: -77.588482
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 3.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 422
Temperature: 1.160550
Total energy: -253.271420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.271420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.900987 (E_RNA)
where:
Base-Base interactions energy: -175.197
where: short stacking energy: -84.136
Base-Backbone interact. energy: -0.515
local terms energy: -80.188680
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 2.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 423
Temperature: 1.160100
Total energy: -253.588231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.588231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.048068 (E_RNA)
where:
Base-Base interactions energy: -173.961
where: short stacking energy: -77.472
Base-Backbone interact. energy: -0.133
local terms energy: -81.953739
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 2.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 424
Temperature: 1.159650
Total energy: -246.330239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.330239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.801544 (E_RNA)
where:
Base-Base interactions energy: -155.866
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.818
local terms energy: -93.117647
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 3.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 425
Temperature: 1.159200
Total energy: -242.978213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.978213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.576064 (E_RNA)
where:
Base-Base interactions energy: -170.317
where: short stacking energy: -74.823
Base-Backbone interact. energy: -0.070
local terms energy: -76.189421
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -20.400
Dist. restrs. and SS energy: 3.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 426
Temperature: 1.158750
Total energy: -256.946065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.946065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.388007 (E_RNA)
where:
Base-Base interactions energy: -173.402
where: short stacking energy: -73.814
Base-Backbone interact. energy: 1.673
local terms energy: -88.658419
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 3.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 427
Temperature: 1.158300
Total energy: -256.310008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.310008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.217459 (E_RNA)
where:
Base-Base interactions energy: -175.696
where: short stacking energy: -76.189
Base-Backbone interact. energy: -0.003
local terms energy: -82.518161
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 1.907 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 428
Temperature: 1.157850
Total energy: -249.972730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.972730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.755634 (E_RNA)
where:
Base-Base interactions energy: -166.623
where: short stacking energy: -80.888
Base-Backbone interact. energy: -0.300
local terms energy: -84.832573
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -21.195
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 1.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 429
Temperature: 1.157400
Total energy: -246.992730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.992730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.833549 (E_RNA)
where:
Base-Base interactions energy: -158.141
where: short stacking energy: -76.880
Base-Backbone interact. energy: -1.156
local terms energy: -92.536179
where:
bonds (distance) C4'-P energy: -20.011
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 4.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 430
Temperature: 1.156950
Total energy: -232.074585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.044619 (E_RNA)
where:
Base-Base interactions energy: -163.823
where: short stacking energy: -73.727
Base-Backbone interact. energy: -0.103
local terms energy: -72.118103
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 3.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 431
Temperature: 1.156500
Total energy: -249.982750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.982750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.078186 (E_RNA)
where:
Base-Base interactions energy: -172.155
where: short stacking energy: -78.880
Base-Backbone interact. energy: -0.009
local terms energy: -80.914698
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 3.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 432
Temperature: 1.156050
Total energy: -264.529934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.529934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.635984 (E_RNA)
where:
Base-Base interactions energy: -186.838
where: short stacking energy: -83.341
Base-Backbone interact. energy: -0.491
local terms energy: -80.306282
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 3.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 433
Temperature: 1.155600
Total energy: -257.713647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.713647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.145329 (E_RNA)
where:
Base-Base interactions energy: -173.757
where: short stacking energy: -86.138
Base-Backbone interact. energy: -0.008
local terms energy: -86.380372
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -24.794
Dist. restrs. and SS energy: 2.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 434
Temperature: 1.155150
Total energy: -251.903154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.903154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.013262 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -80.005
Base-Backbone interact. energy: -0.250
local terms energy: -91.795375
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -15.367
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 3.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 435
Temperature: 1.154700
Total energy: -254.589655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.589655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.120622 (E_RNA)
where:
Base-Base interactions energy: -175.329
where: short stacking energy: -80.702
Base-Backbone interact. energy: 0.731
local terms energy: -82.522878
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 436
Temperature: 1.154250
Total energy: -256.138798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.138798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.597866 (E_RNA)
where:
Base-Base interactions energy: -173.608
where: short stacking energy: -76.087
Base-Backbone interact. energy: -0.677
local terms energy: -85.312871
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 3.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 437
Temperature: 1.153800
Total energy: -241.852273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.852273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.667209 (E_RNA)
where:
Base-Base interactions energy: -158.218
where: short stacking energy: -72.308
Base-Backbone interact. energy: -2.483
local terms energy: -83.965856
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -16.576
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 2.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 438
Temperature: 1.153350
Total energy: -249.961796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.961796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.192915 (E_RNA)
where:
Base-Base interactions energy: -165.756
where: short stacking energy: -82.337
Base-Backbone interact. energy: -0.896
local terms energy: -85.540638
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 439
Temperature: 1.152900
Total energy: -259.212527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.212527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.807600 (E_RNA)
where:
Base-Base interactions energy: -171.902
where: short stacking energy: -78.755
Base-Backbone interact. energy: -0.043
local terms energy: -89.862338
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -22.725
Dist. restrs. and SS energy: 2.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 440
Temperature: 1.152450
Total energy: -246.193200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.193200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.417117 (E_RNA)
where:
Base-Base interactions energy: -163.056
where: short stacking energy: -73.745
Base-Backbone interact. energy: -0.100
local terms energy: -85.261157
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -24.461
Dist. restrs. and SS energy: 2.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 441
Temperature: 1.152000
Total energy: -245.697986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.697986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.762521 (E_RNA)
where:
Base-Base interactions energy: -167.400
where: short stacking energy: -72.553
Base-Backbone interact. energy: -1.001
local terms energy: -79.362244
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 2.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 442
Temperature: 1.151550
Total energy: -257.588612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.588612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.226009 (E_RNA)
where:
Base-Base interactions energy: -177.727
where: short stacking energy: -79.727
Base-Backbone interact. energy: -0.003
local terms energy: -82.495650
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 443
Temperature: 1.151100
Total energy: -253.678583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.678583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.676417 (E_RNA)
where:
Base-Base interactions energy: -178.149
where: short stacking energy: -72.895
Base-Backbone interact. energy: -0.008
local terms energy: -77.519630
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 1.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 444
Temperature: 1.150650
Total energy: -254.313416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.313416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.786717 (E_RNA)
where:
Base-Base interactions energy: -176.700
where: short stacking energy: -82.899
Base-Backbone interact. energy: 0.473
local terms energy: -81.559912
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 3.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 445
Temperature: 1.150200
Total energy: -259.868121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.868121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.778069 (E_RNA)
where:
Base-Base interactions energy: -171.781
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.031
local terms energy: -90.966437
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -25.773
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 446
Temperature: 1.149750
Total energy: -253.331915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.331915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.860241 (E_RNA)
where:
Base-Base interactions energy: -174.385
where: short stacking energy: -82.466
Base-Backbone interact. energy: -0.001
local terms energy: -81.473852
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -26.267
Dist. restrs. and SS energy: 2.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 447
Temperature: 1.149300
Total energy: -253.184799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.184799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.954275 (E_RNA)
where:
Base-Base interactions energy: -172.775
where: short stacking energy: -82.900
Base-Backbone interact. energy: 0.099
local terms energy: -83.278538
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -23.680
Dist. restrs. and SS energy: 2.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 448
Temperature: 1.148850
Total energy: -261.364172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.364172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.983088 (E_RNA)
where:
Base-Base interactions energy: -183.282
where: short stacking energy: -74.708
Base-Backbone interact. energy: 0.969
local terms energy: -81.669965
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 2.619 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 449
Temperature: 1.148400
Total energy: -270.001340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.001340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.254209 (E_RNA)
where:
Base-Base interactions energy: -190.394
where: short stacking energy: -87.398
Base-Backbone interact. energy: -0.061
local terms energy: -82.799328
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 3.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 450
Temperature: 1.147950
Total energy: -271.797149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.797149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.911674 (E_RNA)
where:
Base-Base interactions energy: -188.301
where: short stacking energy: -88.245
Base-Backbone interact. energy: -0.023
local terms energy: -86.587348
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: 3.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 451
Temperature: 1.147500
Total energy: -266.608789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.608789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.494993 (E_RNA)
where:
Base-Base interactions energy: -180.052
where: short stacking energy: -86.621
Base-Backbone interact. energy: -0.447
local terms energy: -88.995981
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 2.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 452
Temperature: 1.147050
Total energy: -257.456638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.456638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.095967 (E_RNA)
where:
Base-Base interactions energy: -175.579
where: short stacking energy: -86.491
Base-Backbone interact. energy: -0.239
local terms energy: -83.278158
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -24.158
Dist. restrs. and SS energy: 1.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 453
Temperature: 1.146600
Total energy: -258.863195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.863195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.695145 (E_RNA)
where:
Base-Base interactions energy: -168.341
where: short stacking energy: -69.396
Base-Backbone interact. energy: -0.028
local terms energy: -92.326309
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 1.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 454
Temperature: 1.146150
Total energy: -266.254534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.254534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.724525 (E_RNA)
where:
Base-Base interactions energy: -178.730
where: short stacking energy: -85.804
Base-Backbone interact. energy: -0.564
local terms energy: -90.430974
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 3.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 455
Temperature: 1.145700
Total energy: -251.035293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.035293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.128252 (E_RNA)
where:
Base-Base interactions energy: -170.918
where: short stacking energy: -78.775
Base-Backbone interact. energy: -0.872
local terms energy: -81.338143
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -20.958
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 456
Temperature: 1.145250
Total energy: -253.157271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.157271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.038130 (E_RNA)
where:
Base-Base interactions energy: -170.949
where: short stacking energy: -78.798
Base-Backbone interact. energy: -0.288
local terms energy: -84.801167
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 2.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 457
Temperature: 1.144800
Total energy: -263.188253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.188253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.992833 (E_RNA)
where:
Base-Base interactions energy: -182.992
where: short stacking energy: -85.123
Base-Backbone interact. energy: -0.083
local terms energy: -82.917725
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 2.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 458
Temperature: 1.144350
Total energy: -256.514930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.514930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.124999 (E_RNA)
where:
Base-Base interactions energy: -170.700
where: short stacking energy: -75.860
Base-Backbone interact. energy: -0.014
local terms energy: -89.410614
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -23.301
Dist. restrs. and SS energy: 3.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 459
Temperature: 1.143900
Total energy: -252.774401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.774401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.661627 (E_RNA)
where:
Base-Base interactions energy: -179.463
where: short stacking energy: -79.436
Base-Backbone interact. energy: -0.466
local terms energy: -76.732723
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 3.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 460
Temperature: 1.143450
Total energy: -255.125380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.125380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.516764 (E_RNA)
where:
Base-Base interactions energy: -173.476
where: short stacking energy: -75.084
Base-Backbone interact. energy: -0.237
local terms energy: -84.803450
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 3.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 461
Temperature: 1.143000
Total energy: -261.709564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.709564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.906727 (E_RNA)
where:
Base-Base interactions energy: -186.033
where: short stacking energy: -80.220
Base-Backbone interact. energy: -0.108
local terms energy: -78.766028
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 3.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 462
Temperature: 1.142550
Total energy: -245.564795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.564795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.226643 (E_RNA)
where:
Base-Base interactions energy: -173.894
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.592
local terms energy: -73.740863
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 2.662 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 463
Temperature: 1.142100
Total energy: -252.435167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.435167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.335416 (E_RNA)
where:
Base-Base interactions energy: -167.860
where: short stacking energy: -86.766
Base-Backbone interact. energy: -0.286
local terms energy: -87.188799
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -23.541
Dist. restrs. and SS energy: 2.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 464
Temperature: 1.141650
Total energy: -263.844861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.844861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.733889 (E_RNA)
where:
Base-Base interactions energy: -175.374
where: short stacking energy: -76.996
Base-Backbone interact. energy: -1.186
local terms energy: -90.174409
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -26.487
Dist. restrs. and SS energy: 2.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 465
Temperature: 1.141200
Total energy: -263.484896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.484896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.204171 (E_RNA)
where:
Base-Base interactions energy: -185.379
where: short stacking energy: -94.442
Base-Backbone interact. energy: -0.003
local terms energy: -80.822599
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -27.700
Dist. restrs. and SS energy: 2.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 466
Temperature: 1.140750
Total energy: -246.273949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.273949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.223654 (E_RNA)
where:
Base-Base interactions energy: -165.438
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.679
local terms energy: -82.107078
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -0.587
tors. eta vs tors. theta energy: -24.880
Dist. restrs. and SS energy: 1.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 467
Temperature: 1.140300
Total energy: -246.725351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.725351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.572928 (E_RNA)
where:
Base-Base interactions energy: -159.213
where: short stacking energy: -79.646
Base-Backbone interact. energy: -0.444
local terms energy: -89.915533
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -22.339
Dist. restrs. and SS energy: 2.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 468
Temperature: 1.139850
Total energy: -256.104877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.104877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.075299 (E_RNA)
where:
Base-Base interactions energy: -172.939
where: short stacking energy: -79.747
Base-Backbone interact. energy: -0.007
local terms energy: -86.129330
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -23.849
Dist. restrs. and SS energy: 2.970 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 469
Temperature: 1.139400
Total energy: -251.716057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.716057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.148648 (E_RNA)
where:
Base-Base interactions energy: -163.581
where: short stacking energy: -76.357
Base-Backbone interact. energy: -0.136
local terms energy: -91.431311
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 3.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 470
Temperature: 1.138950
Total energy: -250.924785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.924785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.419004 (E_RNA)
where:
Base-Base interactions energy: -173.504
where: short stacking energy: -76.937
Base-Backbone interact. energy: 0.181
local terms energy: -82.096548
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 4.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 471
Temperature: 1.138500
Total energy: -257.943795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.943795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.876883 (E_RNA)
where:
Base-Base interactions energy: -185.086
where: short stacking energy: -77.895
Base-Backbone interact. energy: -1.050
local terms energy: -74.740898
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 2.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 472
Temperature: 1.138050
Total energy: -261.983736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.983736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.756647 (E_RNA)
where:
Base-Base interactions energy: -175.608
where: short stacking energy: -75.942
Base-Backbone interact. energy: -0.385
local terms energy: -88.763849
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 2.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 473
Temperature: 1.137600
Total energy: -244.372678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.372678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.015847 (E_RNA)
where:
Base-Base interactions energy: -177.974
where: short stacking energy: -74.434
Base-Backbone interact. energy: -0.305
local terms energy: -72.736891
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 6.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 474
Temperature: 1.137150
Total energy: -233.281954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.281954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.289401 (E_RNA)
where:
Base-Base interactions energy: -150.636
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.337
local terms energy: -87.317204
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 5.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 475
Temperature: 1.136700
Total energy: -241.820172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.820172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.050432 (E_RNA)
where:
Base-Base interactions energy: -168.711
where: short stacking energy: -78.532
Base-Backbone interact. energy: -0.059
local terms energy: -78.280631
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 5.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 476
Temperature: 1.136250
Total energy: -249.699846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.699846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.415425 (E_RNA)
where:
Base-Base interactions energy: -165.855
where: short stacking energy: -81.222
Base-Backbone interact. energy: -0.339
local terms energy: -87.221515
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 3.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 477
Temperature: 1.135800
Total energy: -257.883203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.883203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.839553 (E_RNA)
where:
Base-Base interactions energy: -174.010
where: short stacking energy: -78.728
Base-Backbone interact. energy: 0.184
local terms energy: -90.013837
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 5.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 478
Temperature: 1.135350
Total energy: -235.491217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.491217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.343551 (E_RNA)
where:
Base-Base interactions energy: -167.721
where: short stacking energy: -65.050
Base-Backbone interact. energy: 0.430
local terms energy: -73.052623
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 4.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 479
Temperature: 1.134900
Total energy: -241.512448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.512448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.112594 (E_RNA)
where:
Base-Base interactions energy: -180.175
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.093
local terms energy: -63.844353
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -15.305
Dist. restrs. and SS energy: 2.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 480
Temperature: 1.134450
Total energy: -249.747025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.747025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.122230 (E_RNA)
where:
Base-Base interactions energy: -184.508
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.734
local terms energy: -67.880255
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 3.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 481
Temperature: 1.134000
Total energy: -232.082278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.082278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.463693 (E_RNA)
where:
Base-Base interactions energy: -162.767
where: short stacking energy: -72.677
Base-Backbone interact. energy: -0.515
local terms energy: -71.182110
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -11.943
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 2.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 482
Temperature: 1.133550
Total energy: -246.081777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.081777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.950735 (E_RNA)
where:
Base-Base interactions energy: -171.517
where: short stacking energy: -67.732
Base-Backbone interact. energy: -0.348
local terms energy: -77.085490
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 483
Temperature: 1.133100
Total energy: -226.733020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.733020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.481996 (E_RNA)
where:
Base-Base interactions energy: -156.650
where: short stacking energy: -68.932
Base-Backbone interact. energy: -0.383
local terms energy: -75.449969
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 5.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 484
Temperature: 1.132650
Total energy: -241.931984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.931984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.064691 (E_RNA)
where:
Base-Base interactions energy: -174.880
where: short stacking energy: -71.044
Base-Backbone interact. energy: -0.353
local terms energy: -71.831262
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 5.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 485
Temperature: 1.132200
Total energy: -234.631582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.631582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.496174 (E_RNA)
where:
Base-Base interactions energy: -171.042
where: short stacking energy: -69.535
Base-Backbone interact. energy: -0.382
local terms energy: -72.072301
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 8.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 486
Temperature: 1.131750
Total energy: -235.455445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.455445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.532370 (E_RNA)
where:
Base-Base interactions energy: -167.940
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.337
local terms energy: -71.255155
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 4.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 487
Temperature: 1.131300
Total energy: -245.172836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.172836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.678188 (E_RNA)
where:
Base-Base interactions energy: -165.259
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.330
local terms energy: -84.089567
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 4.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 488
Temperature: 1.130850
Total energy: -231.493221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.493221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.696569 (E_RNA)
where:
Base-Base interactions energy: -158.333
where: short stacking energy: -65.114
Base-Backbone interact. energy: -0.060
local terms energy: -78.303719
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 5.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 489
Temperature: 1.130400
Total energy: -243.854318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.854318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.813496 (E_RNA)
where:
Base-Base interactions energy: -159.727
where: short stacking energy: -77.134
Base-Backbone interact. energy: -1.187
local terms energy: -86.899524
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 3.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 490
Temperature: 1.129950
Total energy: -246.450769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.450769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.567470 (E_RNA)
where:
Base-Base interactions energy: -168.803
where: short stacking energy: -77.665
Base-Backbone interact. energy: -0.079
local terms energy: -83.684937
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 6.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 491
Temperature: 1.129500
Total energy: -237.361807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.361807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.649124 (E_RNA)
where:
Base-Base interactions energy: -173.610
where: short stacking energy: -79.014
Base-Backbone interact. energy: -0.044
local terms energy: -68.994637
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 5.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 492
Temperature: 1.129050
Total energy: -240.172600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.172600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.627991 (E_RNA)
where:
Base-Base interactions energy: -162.668
where: short stacking energy: -71.266
Base-Backbone interact. energy: -0.101
local terms energy: -82.858776
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -22.936
Dist. restrs. and SS energy: 5.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 493
Temperature: 1.128600
Total energy: -227.991782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.991782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.116267 (E_RNA)
where:
Base-Base interactions energy: -164.190
where: short stacking energy: -78.796
Base-Backbone interact. energy: -0.066
local terms energy: -69.860419
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 6.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 494
Temperature: 1.128150
Total energy: -225.470138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.470138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.989221 (E_RNA)
where:
Base-Base interactions energy: -160.543
where: short stacking energy: -73.285
Base-Backbone interact. energy: -0.016
local terms energy: -71.429987
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 6.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 495
Temperature: 1.127700
Total energy: -232.683823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.683823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.036486 (E_RNA)
where:
Base-Base interactions energy: -155.832
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.527
local terms energy: -78.677085
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 2.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 496
Temperature: 1.127250
Total energy: -225.954054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.954054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.700134 (E_RNA)
where:
Base-Base interactions energy: -146.125
where: short stacking energy: -60.565
Base-Backbone interact. energy: -1.168
local terms energy: -80.407484
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 1.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 497
Temperature: 1.126800
Total energy: -237.240011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.240011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.324632 (E_RNA)
where:
Base-Base interactions energy: -157.593
where: short stacking energy: -75.081
Base-Backbone interact. energy: -0.232
local terms energy: -80.500413
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 1.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 498
Temperature: 1.126350
Total energy: -233.431223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.431223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.710737 (E_RNA)
where:
Base-Base interactions energy: -153.224
where: short stacking energy: -73.130
Base-Backbone interact. energy: -1.809
local terms energy: -79.677564
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 1.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 499
Temperature: 1.125900
Total energy: -230.079768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.079768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.113035 (E_RNA)
where:
Base-Base interactions energy: -151.854
where: short stacking energy: -70.106
Base-Backbone interact. energy: -0.273
local terms energy: -83.985908
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 6.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 500
Temperature: 1.125450
Total energy: -216.431088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.431088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.342144 (E_RNA)
where:
Base-Base interactions energy: -155.238
where: short stacking energy: -61.396
Base-Backbone interact. energy: 0.287
local terms energy: -65.391184
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -6.632
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 3.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 501
Temperature: 1.125000
Total energy: -229.439688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.439688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.484813 (E_RNA)
where:
Base-Base interactions energy: -153.787
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.383
local terms energy: -79.314000
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 4.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 502
Temperature: 1.124550
Total energy: -231.744078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.744078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.329669 (E_RNA)
where:
Base-Base interactions energy: -157.269
where: short stacking energy: -70.857
Base-Backbone interact. energy: -0.221
local terms energy: -77.839651
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 3.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 503
Temperature: 1.124100
Total energy: -251.475867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.475867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.610002 (E_RNA)
where:
Base-Base interactions energy: -172.798
where: short stacking energy: -81.993
Base-Backbone interact. energy: -0.569
local terms energy: -82.243237
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -22.875
Dist. restrs. and SS energy: 4.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 504
Temperature: 1.123650
Total energy: -262.724068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.724068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.550507 (E_RNA)
where:
Base-Base interactions energy: -186.499
where: short stacking energy: -86.425
Base-Backbone interact. energy: 0.164
local terms energy: -80.216206
where:
bonds (distance) C4'-P energy: -6.353
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -22.821
Dist. restrs. and SS energy: 3.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 505
Temperature: 1.123200
Total energy: -262.926223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.926223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.681955 (E_RNA)
where:
Base-Base interactions energy: -183.011
where: short stacking energy: -85.492
Base-Backbone interact. energy: -0.065
local terms energy: -82.606642
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 506
Temperature: 1.122750
Total energy: -265.043674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.043674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.842608 (E_RNA)
where:
Base-Base interactions energy: -181.397
where: short stacking energy: -86.315
Base-Backbone interact. energy: -0.051
local terms energy: -87.394472
where:
bonds (distance) C4'-P energy: -15.466
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -24.564
Dist. restrs. and SS energy: 3.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 507
Temperature: 1.122300
Total energy: -266.717047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.717047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.214780 (E_RNA)
where:
Base-Base interactions energy: -185.886
where: short stacking energy: -96.627
Base-Backbone interact. energy: -0.630
local terms energy: -82.698976
where:
bonds (distance) C4'-P energy: -6.929
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -28.624
Dist. restrs. and SS energy: 2.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 508
Temperature: 1.121850
Total energy: -259.306488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.306488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.400738 (E_RNA)
where:
Base-Base interactions energy: -180.860
where: short stacking energy: -94.016
Base-Backbone interact. energy: -0.073
local terms energy: -81.467946
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 3.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 509
Temperature: 1.121400
Total energy: -264.711907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.711907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.979562 (E_RNA)
where:
Base-Base interactions energy: -177.853
where: short stacking energy: -83.087
Base-Backbone interact. energy: 0.632
local terms energy: -90.758897
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 3.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 510
Temperature: 1.120950
Total energy: -251.365017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.365017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.219157 (E_RNA)
where:
Base-Base interactions energy: -170.646
where: short stacking energy: -85.549
Base-Backbone interact. energy: 0.496
local terms energy: -84.068513
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -26.416
Dist. restrs. and SS energy: 2.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 511
Temperature: 1.120500
Total energy: -252.654932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.654932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.724445 (E_RNA)
where:
Base-Base interactions energy: -175.826
where: short stacking energy: -73.639
Base-Backbone interact. energy: -2.231
local terms energy: -77.666854
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 512
Temperature: 1.120050
Total energy: -271.754716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.754716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.024719 (E_RNA)
where:
Base-Base interactions energy: -188.277
where: short stacking energy: -89.331
Base-Backbone interact. energy: -0.961
local terms energy: -84.786579
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -23.345
Dist. restrs. and SS energy: 2.270 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 513
Temperature: 1.119600
Total energy: -268.765843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.765843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.455568 (E_RNA)
where:
Base-Base interactions energy: -194.163
where: short stacking energy: -91.689
Base-Backbone interact. energy: -1.216
local terms energy: -76.076075
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 2.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 514
Temperature: 1.119150
Total energy: -270.403443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.403443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.809493 (E_RNA)
where:
Base-Base interactions energy: -183.687
where: short stacking energy: -85.825
Base-Backbone interact. energy: -0.003
local terms energy: -90.119764
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 3.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 515
Temperature: 1.118700
Total energy: -273.513306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.513306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.833521 (E_RNA)
where:
Base-Base interactions energy: -187.304
where: short stacking energy: -84.698
Base-Backbone interact. energy: -0.579
local terms energy: -88.950333
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -22.585
Dist. restrs. and SS energy: 3.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 516
Temperature: 1.118250
Total energy: -272.687041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.687041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.251494 (E_RNA)
where:
Base-Base interactions energy: -195.888
where: short stacking energy: -83.190
Base-Backbone interact. energy: -0.020
local terms energy: -80.344189
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 3.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 517
Temperature: 1.117800
Total energy: -266.110314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.110314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.866285 (E_RNA)
where:
Base-Base interactions energy: -181.237
where: short stacking energy: -77.110
Base-Backbone interact. energy: 0.026
local terms energy: -86.655406
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 1.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 518
Temperature: 1.117350
Total energy: -255.761654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.761654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.518067 (E_RNA)
where:
Base-Base interactions energy: -177.007
where: short stacking energy: -81.066
Base-Backbone interact. energy: -0.021
local terms energy: -81.489804
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -16.999
Dist. restrs. and SS energy: 2.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 519
Temperature: 1.116900
Total energy: -280.493689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.493689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.712920 (E_RNA)
where:
Base-Base interactions energy: -190.426
where: short stacking energy: -89.016
Base-Backbone interact. energy: -0.012
local terms energy: -93.275123
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -25.560
Dist. restrs. and SS energy: 3.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 520
Temperature: 1.116450
Total energy: -266.044104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.044104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.819005 (E_RNA)
where:
Base-Base interactions energy: -189.615
where: short stacking energy: -89.732
Base-Backbone interact. energy: -0.007
local terms energy: -79.196697
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -16.209
tors. eta vs tors. theta energy: -23.922
Dist. restrs. and SS energy: 2.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 521
Temperature: 1.116000
Total energy: -254.405742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.405742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.604616 (E_RNA)
where:
Base-Base interactions energy: -175.960
where: short stacking energy: -85.206
Base-Backbone interact. energy: -0.793
local terms energy: -79.851822
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -23.574
Dist. restrs. and SS energy: 2.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 522
Temperature: 1.115550
Total energy: -260.341891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.341891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.474723 (E_RNA)
where:
Base-Base interactions energy: -172.267
where: short stacking energy: -79.806
Base-Backbone interact. energy: -0.004
local terms energy: -90.203738
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 2.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 523
Temperature: 1.115100
Total energy: -244.954165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.954165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.368838 (E_RNA)
where:
Base-Base interactions energy: -174.968
where: short stacking energy: -77.420
Base-Backbone interact. energy: -0.238
local terms energy: -73.162551
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 3.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 524
Temperature: 1.114650
Total energy: -245.446350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.446350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.599845 (E_RNA)
where:
Base-Base interactions energy: -160.335
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.155
local terms energy: -87.110346
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 525
Temperature: 1.114200
Total energy: -262.153591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.153591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.798586 (E_RNA)
where:
Base-Base interactions energy: -181.780
where: short stacking energy: -89.884
Base-Backbone interact. energy: -0.092
local terms energy: -84.926631
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -20.917
Dist. restrs. and SS energy: 4.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 526
Temperature: 1.113750
Total energy: -259.424842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.424842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.165845 (E_RNA)
where:
Base-Base interactions energy: -175.371
where: short stacking energy: -72.261
Base-Backbone interact. energy: -0.697
local terms energy: -87.097832
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -21.676
Dist. restrs. and SS energy: 3.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 527
Temperature: 1.113300
Total energy: -258.628328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.628328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.239445 (E_RNA)
where:
Base-Base interactions energy: -184.007
where: short stacking energy: -84.184
Base-Backbone interact. energy: -0.156
local terms energy: -80.077067
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -25.319
Dist. restrs. and SS energy: 5.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 528
Temperature: 1.112850
Total energy: -269.775657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.775657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.598329 (E_RNA)
where:
Base-Base interactions energy: -187.429
where: short stacking energy: -89.246
Base-Backbone interact. energy: -0.469
local terms energy: -84.700562
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 529
Temperature: 1.112400
Total energy: -267.655083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.655083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.408365 (E_RNA)
where:
Base-Base interactions energy: -184.808
where: short stacking energy: -91.991
Base-Backbone interact. energy: -0.055
local terms energy: -85.545490
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 2.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 530
Temperature: 1.111950
Total energy: -270.429088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.429088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.244994 (E_RNA)
where:
Base-Base interactions energy: -184.754
where: short stacking energy: -89.999
Base-Backbone interact. energy: -0.366
local terms energy: -88.125086
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 531
Temperature: 1.111500
Total energy: -275.849760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.849760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.409490 (E_RNA)
where:
Base-Base interactions energy: -184.850
where: short stacking energy: -92.651
Base-Backbone interact. energy: -0.220
local terms energy: -94.339280
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -25.471
Dist. restrs. and SS energy: 3.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 532
Temperature: 1.111050
Total energy: -264.882443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.882443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.853861 (E_RNA)
where:
Base-Base interactions energy: -176.267
where: short stacking energy: -81.961
Base-Backbone interact. energy: -1.473
local terms energy: -90.114313
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 533
Temperature: 1.110600
Total energy: -276.273226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.273226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.754823 (E_RNA)
where:
Base-Base interactions energy: -189.313
where: short stacking energy: -90.149
Base-Backbone interact. energy: -0.007
local terms energy: -89.433914
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 2.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 534
Temperature: 1.110150
Total energy: -276.807128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.807128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.348253 (E_RNA)
where:
Base-Base interactions energy: -185.183
where: short stacking energy: -86.520
Base-Backbone interact. energy: -0.001
local terms energy: -94.163645
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 2.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 535
Temperature: 1.109700
Total energy: -279.736448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.736448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.577717 (E_RNA)
where:
Base-Base interactions energy: -195.958
where: short stacking energy: -89.732
Base-Backbone interact. energy: -0.242
local terms energy: -86.377800
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -25.398
Dist. restrs. and SS energy: 2.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 536
Temperature: 1.109250
Total energy: -285.302996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.302996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.757425 (E_RNA)
where:
Base-Base interactions energy: -190.185
where: short stacking energy: -85.358
Base-Backbone interact. energy: -0.730
local terms energy: -97.842849
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -27.273
Dist. restrs. and SS energy: 3.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 537
Temperature: 1.108800
Total energy: -279.469847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.469847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.645663 (E_RNA)
where:
Base-Base interactions energy: -192.090
where: short stacking energy: -93.701
Base-Backbone interact. energy: -0.340
local terms energy: -90.215157
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -19.850
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 3.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 538
Temperature: 1.108350
Total energy: -259.500011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.500011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.855787 (E_RNA)
where:
Base-Base interactions energy: -177.235
where: short stacking energy: -72.310
Base-Backbone interact. energy: -0.767
local terms energy: -84.854212
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -1.956
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 3.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 539
Temperature: 1.107900
Total energy: -271.559539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.559539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.028700 (E_RNA)
where:
Base-Base interactions energy: -188.457
where: short stacking energy: -86.094
Base-Backbone interact. energy: -0.615
local terms energy: -85.956598
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -16.248
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 3.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 540
Temperature: 1.107450
Total energy: -278.969684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.969684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.371425 (E_RNA)
where:
Base-Base interactions energy: -193.133
where: short stacking energy: -86.878
Base-Backbone interact. energy: -0.092
local terms energy: -88.146783
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 2.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 541
Temperature: 1.107000
Total energy: -275.467729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.467729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.100680 (E_RNA)
where:
Base-Base interactions energy: -194.318
where: short stacking energy: -88.546
Base-Backbone interact. energy: -0.107
local terms energy: -83.675804
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 542
Temperature: 1.106550
Total energy: -275.765473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.765473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.251832 (E_RNA)
where:
Base-Base interactions energy: -183.742
where: short stacking energy: -88.681
Base-Backbone interact. energy: -0.110
local terms energy: -94.400418
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 2.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 543
Temperature: 1.106100
Total energy: -264.803521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.803521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.791415 (E_RNA)
where:
Base-Base interactions energy: -175.867
where: short stacking energy: -84.340
Base-Backbone interact. energy: -0.175
local terms energy: -91.749083
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -25.311
Dist. restrs. and SS energy: 2.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 544
Temperature: 1.105650
Total energy: -260.056086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.056086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.589365 (E_RNA)
where:
Base-Base interactions energy: -177.772
where: short stacking energy: -85.376
Base-Backbone interact. energy: -0.053
local terms energy: -86.764079
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -26.426
Dist. restrs. and SS energy: 4.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 545
Temperature: 1.105200
Total energy: -263.370572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.370572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.409451 (E_RNA)
where:
Base-Base interactions energy: -168.782
where: short stacking energy: -79.653
Base-Backbone interact. energy: -0.019
local terms energy: -96.608223
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 2.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 546
Temperature: 1.104750
Total energy: -254.946138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.946138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.236118 (E_RNA)
where:
Base-Base interactions energy: -179.450
where: short stacking energy: -87.269
Base-Backbone interact. energy: -0.145
local terms energy: -77.641017
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 2.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 547
Temperature: 1.104300
Total energy: -245.365903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.365903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.723933 (E_RNA)
where:
Base-Base interactions energy: -171.873
where: short stacking energy: -75.536
Base-Backbone interact. energy: 1.408
local terms energy: -77.259466
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 2.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 548
Temperature: 1.103850
Total energy: -235.414751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.414751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.211022 (E_RNA)
where:
Base-Base interactions energy: -168.096
where: short stacking energy: -72.204
Base-Backbone interact. energy: 0.212
local terms energy: -73.327945
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 5.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 549
Temperature: 1.103400
Total energy: -256.273934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.273934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.686194 (E_RNA)
where:
Base-Base interactions energy: -184.132
where: short stacking energy: -69.470
Base-Backbone interact. energy: 0.400
local terms energy: -75.953694
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 3.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 550
Temperature: 1.102950
Total energy: -231.960991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.960991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.372932 (E_RNA)
where:
Base-Base interactions energy: -159.093
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.135
local terms energy: -76.145188
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 3.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 551
Temperature: 1.102500
Total energy: -230.126546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.126546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.672059 (E_RNA)
where:
Base-Base interactions energy: -165.137
where: short stacking energy: -74.157
Base-Backbone interact. energy: -0.204
local terms energy: -70.331586
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 5.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 552
Temperature: 1.102050
Total energy: -239.810982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.810982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.539075 (E_RNA)
where:
Base-Base interactions energy: -169.841
where: short stacking energy: -67.043
Base-Backbone interact. energy: 0.033
local terms energy: -73.731010
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 3.728 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 553
Temperature: 1.101600
Total energy: -246.946820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.946820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.799990 (E_RNA)
where:
Base-Base interactions energy: -162.096
where: short stacking energy: -65.864
Base-Backbone interact. energy: -2.307
local terms energy: -85.396960
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 2.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 554
Temperature: 1.101150
Total energy: -224.923301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.923301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.508482 (E_RNA)
where:
Base-Base interactions energy: -160.583
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.196
local terms energy: -66.729350
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -3.403
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 2.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 555
Temperature: 1.100700
Total energy: -236.253304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.253304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.211600 (E_RNA)
where:
Base-Base interactions energy: -165.005
where: short stacking energy: -62.745
Base-Backbone interact. energy: -0.210
local terms energy: -74.997125
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 3.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 556
Temperature: 1.100250
Total energy: -247.876472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.876472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.058258 (E_RNA)
where:
Base-Base interactions energy: -170.370
where: short stacking energy: -78.025
Base-Backbone interact. energy: -0.085
local terms energy: -79.603352
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 2.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 557
Temperature: 1.099800
Total energy: -257.643647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.643647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.664425 (E_RNA)
where:
Base-Base interactions energy: -177.045
where: short stacking energy: -72.933
Base-Backbone interact. energy: -1.110
local terms energy: -83.509749
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 4.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 558
Temperature: 1.099350
Total energy: -251.110763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.110763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.850512 (E_RNA)
where:
Base-Base interactions energy: -181.937
where: short stacking energy: -81.396
Base-Backbone interact. energy: 0.756
local terms energy: -72.669835
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 2.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 559
Temperature: 1.098900
Total energy: -240.544459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.544459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.938941 (E_RNA)
where:
Base-Base interactions energy: -173.932
where: short stacking energy: -71.357
Base-Backbone interact. energy: -1.603
local terms energy: -69.403990
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -20.264
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 4.394 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 560
Temperature: 1.098450
Total energy: -266.942585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.942585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.350973 (E_RNA)
where:
Base-Base interactions energy: -188.107
where: short stacking energy: -75.716
Base-Backbone interact. energy: -0.378
local terms energy: -82.866423
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 4.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 561
Temperature: 1.098000
Total energy: -252.282084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.282084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.616242 (E_RNA)
where:
Base-Base interactions energy: -177.244
where: short stacking energy: -76.140
Base-Backbone interact. energy: -1.479
local terms energy: -76.893199
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 3.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 562
Temperature: 1.097550
Total energy: -267.780341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.780341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.010837 (E_RNA)
where:
Base-Base interactions energy: -195.225
where: short stacking energy: -86.156
Base-Backbone interact. energy: -0.477
local terms energy: -76.309655
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 4.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 563
Temperature: 1.097100
Total energy: -265.740421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.740421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.335821 (E_RNA)
where:
Base-Base interactions energy: -186.020
where: short stacking energy: -82.072
Base-Backbone interact. energy: 0.378
local terms energy: -84.693912
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -19.092
Dist. restrs. and SS energy: 4.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 564
Temperature: 1.096650
Total energy: -266.527879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.527879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.943066 (E_RNA)
where:
Base-Base interactions energy: -186.993
where: short stacking energy: -72.358
Base-Backbone interact. energy: -1.312
local terms energy: -80.638538
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 2.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 565
Temperature: 1.096200
Total energy: -263.101270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.101270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.306201 (E_RNA)
where:
Base-Base interactions energy: -189.338
where: short stacking energy: -83.209
Base-Backbone interact. energy: -0.505
local terms energy: -76.463591
where:
bonds (distance) C4'-P energy: -19.850
bonds (distance) P-C4' energy: -8.681
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 3.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 566
Temperature: 1.095750
Total energy: -272.452756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.452756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.794748 (E_RNA)
where:
Base-Base interactions energy: -187.241
where: short stacking energy: -77.852
Base-Backbone interact. energy: -0.773
local terms energy: -86.781156
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 2.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 567
Temperature: 1.095300
Total energy: -272.182831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.182831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.420033 (E_RNA)
where:
Base-Base interactions energy: -188.338
where: short stacking energy: -85.349
Base-Backbone interact. energy: -0.946
local terms energy: -86.135203
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 3.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 568
Temperature: 1.094850
Total energy: -275.865393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.865393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.895906 (E_RNA)
where:
Base-Base interactions energy: -195.416
where: short stacking energy: -86.414
Base-Backbone interact. energy: -2.215
local terms energy: -82.264797
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 4.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 569
Temperature: 1.094400
Total energy: -274.164796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.164796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.423028 (E_RNA)
where:
Base-Base interactions energy: -187.386
where: short stacking energy: -80.281
Base-Backbone interact. energy: -0.158
local terms energy: -88.878836
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 2.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 570
Temperature: 1.093950
Total energy: -272.019254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.019254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.336791 (E_RNA)
where:
Base-Base interactions energy: -189.397
where: short stacking energy: -88.504
Base-Backbone interact. energy: -0.016
local terms energy: -85.923851
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -23.418
Dist. restrs. and SS energy: 3.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 571
Temperature: 1.093500
Total energy: -275.808819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.808819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.318271 (E_RNA)
where:
Base-Base interactions energy: -187.667
where: short stacking energy: -90.700
Base-Backbone interact. energy: -0.005
local terms energy: -90.647031
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -23.033
Dist. restrs. and SS energy: 2.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 572
Temperature: 1.093050
Total energy: -265.257796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.257796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.420276 (E_RNA)
where:
Base-Base interactions energy: -177.425
where: short stacking energy: -77.263
Base-Backbone interact. energy: -0.004
local terms energy: -89.991859
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 2.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 573
Temperature: 1.092600
Total energy: -261.270804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.270804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.918999 (E_RNA)
where:
Base-Base interactions energy: -173.543
where: short stacking energy: -77.319
Base-Backbone interact. energy: -2.179
local terms energy: -87.196922
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 1.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 574
Temperature: 1.092150
Total energy: -261.422649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.422649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.958448 (E_RNA)
where:
Base-Base interactions energy: -178.390
where: short stacking energy: -76.493
Base-Backbone interact. energy: -1.846
local terms energy: -83.723127
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 2.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 575
Temperature: 1.091700
Total energy: -259.626268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.626268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.661664 (E_RNA)
where:
Base-Base interactions energy: -178.164
where: short stacking energy: -82.754
Base-Backbone interact. energy: -0.180
local terms energy: -82.317526
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 576
Temperature: 1.091250
Total energy: -266.627767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.627767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.203028 (E_RNA)
where:
Base-Base interactions energy: -184.579
where: short stacking energy: -93.358
Base-Backbone interact. energy: -1.607
local terms energy: -82.017335
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 1.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 577
Temperature: 1.090800
Total energy: -253.855267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.855267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.296598 (E_RNA)
where:
Base-Base interactions energy: -178.554
where: short stacking energy: -75.369
Base-Backbone interact. energy: 1.139
local terms energy: -77.882401
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 578
Temperature: 1.090350
Total energy: -253.913760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.913760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.769622 (E_RNA)
where:
Base-Base interactions energy: -172.046
where: short stacking energy: -77.186
Base-Backbone interact. energy: -1.409
local terms energy: -82.315118
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 1.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 579
Temperature: 1.089900
Total energy: -267.299451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.299451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.241229 (E_RNA)
where:
Base-Base interactions energy: -185.468
where: short stacking energy: -86.430
Base-Backbone interact. energy: -0.688
local terms energy: -83.084715
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 1.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 580
Temperature: 1.089450
Total energy: -268.701445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.701445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.106789 (E_RNA)
where:
Base-Base interactions energy: -187.297
where: short stacking energy: -91.365
Base-Backbone interact. energy: -1.236
local terms energy: -82.574271
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 2.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 581
Temperature: 1.089000
Total energy: -276.568523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.568523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.387341 (E_RNA)
where:
Base-Base interactions energy: -184.579
where: short stacking energy: -85.889
Base-Backbone interact. energy: -2.842
local terms energy: -90.966351
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -25.781
Dist. restrs. and SS energy: 1.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 582
Temperature: 1.088550
Total energy: -275.965683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.965683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.791979 (E_RNA)
where:
Base-Base interactions energy: -193.189
where: short stacking energy: -91.430
Base-Backbone interact. energy: -0.388
local terms energy: -85.214371
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 2.826 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 583
Temperature: 1.088100
Total energy: -271.638042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.638042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.963631 (E_RNA)
where:
Base-Base interactions energy: -187.383
where: short stacking energy: -82.810
Base-Backbone interact. energy: -0.627
local terms energy: -85.953442
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 2.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 584
Temperature: 1.087650
Total energy: -281.891082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.891082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.577879 (E_RNA)
where:
Base-Base interactions energy: -187.525
where: short stacking energy: -91.896
Base-Backbone interact. energy: -1.080
local terms energy: -94.973186
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -20.461
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 1.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 585
Temperature: 1.087200
Total energy: -271.858112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.858112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.665233 (E_RNA)
where:
Base-Base interactions energy: -183.318
where: short stacking energy: -94.716
Base-Backbone interact. energy: -0.881
local terms energy: -89.465915
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 1.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 586
Temperature: 1.086750
Total energy: -256.877422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.877422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.904203 (E_RNA)
where:
Base-Base interactions energy: -182.798
where: short stacking energy: -78.055
Base-Backbone interact. energy: -1.326
local terms energy: -76.780182
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 4.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 587
Temperature: 1.086300
Total energy: -261.773932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.773932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.834183 (E_RNA)
where:
Base-Base interactions energy: -172.592
where: short stacking energy: -73.623
Base-Backbone interact. energy: -2.056
local terms energy: -90.186344
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 3.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 588
Temperature: 1.085850
Total energy: -256.404754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.404754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.743296 (E_RNA)
where:
Base-Base interactions energy: -168.286
where: short stacking energy: -74.289
Base-Backbone interact. energy: -1.073
local terms energy: -89.384427
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 2.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 589
Temperature: 1.085400
Total energy: -264.436275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.436275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.817558 (E_RNA)
where:
Base-Base interactions energy: -183.297
where: short stacking energy: -83.726
Base-Backbone interact. energy: -0.034
local terms energy: -84.486728
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -26.095
Dist. restrs. and SS energy: 3.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 590
Temperature: 1.084950
Total energy: -263.684325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.684325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.376963 (E_RNA)
where:
Base-Base interactions energy: -173.129
where: short stacking energy: -95.940
Base-Backbone interact. energy: -0.155
local terms energy: -93.093684
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 2.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 591
Temperature: 1.084500
Total energy: -276.265791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.265791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.727927 (E_RNA)
where:
Base-Base interactions energy: -201.984
where: short stacking energy: -95.079
Base-Backbone interact. energy: -0.003
local terms energy: -77.741219
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -26.190
Dist. restrs. and SS energy: 3.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 592
Temperature: 1.084050
Total energy: -278.221917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.221917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.302135 (E_RNA)
where:
Base-Base interactions energy: -190.502
where: short stacking energy: -88.519
Base-Backbone interact. energy: -0.796
local terms energy: -91.004318
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -27.329
Dist. restrs. and SS energy: 4.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 593
Temperature: 1.083600
Total energy: -280.724169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.724169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.777713 (E_RNA)
where:
Base-Base interactions energy: -190.500
where: short stacking energy: -90.289
Base-Backbone interact. energy: 0.112
local terms energy: -93.389098
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 3.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 594
Temperature: 1.083150
Total energy: -286.524193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.524193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.449121 (E_RNA)
where:
Base-Base interactions energy: -187.479
where: short stacking energy: -89.327
Base-Backbone interact. energy: -0.182
local terms energy: -101.788105
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -29.807
Dist. restrs. and SS energy: 2.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 595
Temperature: 1.082700
Total energy: -273.473727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.473727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.256718 (E_RNA)
where:
Base-Base interactions energy: -185.282
where: short stacking energy: -88.350
Base-Backbone interact. energy: -1.040
local terms energy: -89.934846
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -28.378
Dist. restrs. and SS energy: 2.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 596
Temperature: 1.082250
Total energy: -287.613777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.613777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.540798 (E_RNA)
where:
Base-Base interactions energy: -195.210
where: short stacking energy: -98.122
Base-Backbone interact. energy: -0.002
local terms energy: -95.329075
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -15.001
tors. eta vs tors. theta energy: -25.624
Dist. restrs. and SS energy: 2.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 597
Temperature: 1.081800
Total energy: -272.729780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.729780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.631763 (E_RNA)
where:
Base-Base interactions energy: -188.964
where: short stacking energy: -88.413
Base-Backbone interact. energy: -0.191
local terms energy: -86.476360
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -24.592
Dist. restrs. and SS energy: 2.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 598
Temperature: 1.081350
Total energy: -275.228628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.228628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.877746 (E_RNA)
where:
Base-Base interactions energy: -181.343
where: short stacking energy: -94.296
Base-Backbone interact. energy: -0.021
local terms energy: -96.514113
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -21.455
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -27.641
Dist. restrs. and SS energy: 2.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 599
Temperature: 1.080900
Total energy: -277.488785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.488785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.977634 (E_RNA)
where:
Base-Base interactions energy: -188.293
where: short stacking energy: -84.912
Base-Backbone interact. energy: -0.003
local terms energy: -91.681397
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 600
Temperature: 1.080450
Total energy: -295.572670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.572670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.463128 (E_RNA)
where:
Base-Base interactions energy: -200.379
where: short stacking energy: -100.137
Base-Backbone interact. energy: -0.013
local terms energy: -98.070607
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -28.008
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 601
Temperature: 1.080000
Total energy: -278.922312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.922312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.669596 (E_RNA)
where:
Base-Base interactions energy: -192.385
where: short stacking energy: -90.636
Base-Backbone interact. energy: -0.081
local terms energy: -89.203496
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 602
Temperature: 1.079550
Total energy: -281.178809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.178809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.951211 (E_RNA)
where:
Base-Base interactions energy: -188.522
where: short stacking energy: -83.518
Base-Backbone interact. energy: -0.051
local terms energy: -95.378140
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -15.489
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 2.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 603
Temperature: 1.079100
Total energy: -275.755011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.755011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.572594 (E_RNA)
where:
Base-Base interactions energy: -182.147
where: short stacking energy: -92.210
Base-Backbone interact. energy: 0.080
local terms energy: -96.505886
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -24.702
Dist. restrs. and SS energy: 2.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 604
Temperature: 1.078650
Total energy: -283.733202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.733202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.216856 (E_RNA)
where:
Base-Base interactions energy: -199.889
where: short stacking energy: -95.735
Base-Backbone interact. energy: -0.013
local terms energy: -86.314672
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -22.062
Dist. restrs. and SS energy: 2.484 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 605
Temperature: 1.078200
Total energy: -280.970726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.970726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.200650 (E_RNA)
where:
Base-Base interactions energy: -194.321
where: short stacking energy: -83.005
Base-Backbone interact. energy: -0.216
local terms energy: -88.663212
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 606
Temperature: 1.077750
Total energy: -286.583612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.583612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.032521 (E_RNA)
where:
Base-Base interactions energy: -197.806
where: short stacking energy: -88.831
Base-Backbone interact. energy: 0.439
local terms energy: -91.665440
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -24.391
Dist. restrs. and SS energy: 2.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 607
Temperature: 1.077300
Total energy: -279.004560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.004560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.799756 (E_RNA)
where:
Base-Base interactions energy: -186.668
where: short stacking energy: -92.605
Base-Backbone interact. energy: -0.241
local terms energy: -94.890276
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -25.526
Dist. restrs. and SS energy: 2.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 608
Temperature: 1.076850
Total energy: -285.798529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.798529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.798802 (E_RNA)
where:
Base-Base interactions energy: -192.612
where: short stacking energy: -90.595
Base-Backbone interact. energy: -0.297
local terms energy: -94.889286
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 2.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 609
Temperature: 1.076400
Total energy: -271.170211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.170211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.401038 (E_RNA)
where:
Base-Base interactions energy: -184.649
where: short stacking energy: -85.673
Base-Backbone interact. energy: -0.656
local terms energy: -89.095122
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 3.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 610
Temperature: 1.075950
Total energy: -283.540426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.540426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.458316 (E_RNA)
where:
Base-Base interactions energy: -190.879
where: short stacking energy: -87.223
Base-Backbone interact. energy: -0.688
local terms energy: -94.892100
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 2.918 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 611
Temperature: 1.075500
Total energy: -268.698272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.698272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.104497 (E_RNA)
where:
Base-Base interactions energy: -191.755
where: short stacking energy: -84.765
Base-Backbone interact. energy: -0.383
local terms energy: -79.966990
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 3.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 612
Temperature: 1.075050
Total energy: -278.014214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.014214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.837172 (E_RNA)
where:
Base-Base interactions energy: -196.090
where: short stacking energy: -88.459
Base-Backbone interact. energy: -0.250
local terms energy: -84.497709
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 2.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 613
Temperature: 1.074600
Total energy: -282.748014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.748014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.880455 (E_RNA)
where:
Base-Base interactions energy: -194.451
where: short stacking energy: -80.526
Base-Backbone interact. energy: 0.452
local terms energy: -91.882254
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 3.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 614
Temperature: 1.074150
Total energy: -279.802266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.802266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.836386 (E_RNA)
where:
Base-Base interactions energy: -193.589
where: short stacking energy: -82.468
Base-Backbone interact. energy: -0.016
local terms energy: -89.231152
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 3.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 615
Temperature: 1.073700
Total energy: -278.941816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.941816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.749400 (E_RNA)
where:
Base-Base interactions energy: -190.627
where: short stacking energy: -94.691
Base-Backbone interact. energy: 0.520
local terms energy: -91.642637
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -26.907
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 616
Temperature: 1.073250
Total energy: -286.159723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.159723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.375970 (E_RNA)
where:
Base-Base interactions energy: -190.121
where: short stacking energy: -94.158
Base-Backbone interact. energy: -0.005
local terms energy: -99.249747
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -26.708
Dist. restrs. and SS energy: 3.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 617
Temperature: 1.072800
Total energy: -287.557480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.557480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.467488 (E_RNA)
where:
Base-Base interactions energy: -195.028
where: short stacking energy: -96.677
Base-Backbone interact. energy: -0.248
local terms energy: -95.192098
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 2.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 618
Temperature: 1.072350
Total energy: -284.298080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.298080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.786974 (E_RNA)
where:
Base-Base interactions energy: -191.425
where: short stacking energy: -90.423
Base-Backbone interact. energy: -0.075
local terms energy: -95.286719
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -27.570
Dist. restrs. and SS energy: 2.489 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 619
Temperature: 1.071900
Total energy: -277.824924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.824924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.236891 (E_RNA)
where:
Base-Base interactions energy: -191.847
where: short stacking energy: -88.725
Base-Backbone interact. energy: -0.220
local terms energy: -88.170522
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 2.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 620
Temperature: 1.071450
Total energy: -286.621555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.621555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.410099 (E_RNA)
where:
Base-Base interactions energy: -193.601
where: short stacking energy: -98.905
Base-Backbone interact. energy: 0.420
local terms energy: -96.228329
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -25.629
Dist. restrs. and SS energy: 2.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 621
Temperature: 1.071000
Total energy: -287.240969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.240969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.028323 (E_RNA)
where:
Base-Base interactions energy: -192.531
where: short stacking energy: -96.681
Base-Backbone interact. energy: -0.002
local terms energy: -97.496053
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -28.550
Dist. restrs. and SS energy: 2.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 622
Temperature: 1.070550
Total energy: -290.252918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.252918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.964531 (E_RNA)
where:
Base-Base interactions energy: -193.107
where: short stacking energy: -86.843
Base-Backbone interact. energy: -0.137
local terms energy: -99.720307
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -16.089
tors. eta vs tors. theta energy: -26.875
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 623
Temperature: 1.070100
Total energy: -284.651271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.651271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.079361 (E_RNA)
where:
Base-Base interactions energy: -195.010
where: short stacking energy: -88.241
Base-Backbone interact. energy: -0.794
local terms energy: -91.274938
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 2.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 624
Temperature: 1.069650
Total energy: -285.087973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.087973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.281928 (E_RNA)
where:
Base-Base interactions energy: -192.500
where: short stacking energy: -93.754
Base-Backbone interact. energy: -0.008
local terms energy: -94.774329
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -20.925
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 625
Temperature: 1.069200
Total energy: -272.885387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.885387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.678685 (E_RNA)
where:
Base-Base interactions energy: -183.679
where: short stacking energy: -89.821
Base-Backbone interact. energy: -0.034
local terms energy: -91.965271
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 2.793 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 626
Temperature: 1.068750
Total energy: -277.836336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.836336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.552735 (E_RNA)
where:
Base-Base interactions energy: -186.898
where: short stacking energy: -90.499
Base-Backbone interact. energy: -0.214
local terms energy: -93.441200
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -20.788
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -24.869
Dist. restrs. and SS energy: 2.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 627
Temperature: 1.068300
Total energy: -277.324693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.324693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.660760 (E_RNA)
where:
Base-Base interactions energy: -189.803
where: short stacking energy: -91.961
Base-Backbone interact. energy: -0.000
local terms energy: -89.856988
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -23.578
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -27.774
Dist. restrs. and SS energy: 2.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 628
Temperature: 1.067850
Total energy: -280.474012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.474012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.177190 (E_RNA)
where:
Base-Base interactions energy: -194.633
where: short stacking energy: -99.077
Base-Backbone interact. energy: -0.073
local terms energy: -88.470318
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -25.489
Dist. restrs. and SS energy: 2.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 629
Temperature: 1.067400
Total energy: -274.841321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.841321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.865670 (E_RNA)
where:
Base-Base interactions energy: -187.466
where: short stacking energy: -83.237
Base-Backbone interact. energy: -0.028
local terms energy: -90.372142
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 3.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 630
Temperature: 1.066950
Total energy: -267.381496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.381496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.604601 (E_RNA)
where:
Base-Base interactions energy: -189.661
where: short stacking energy: -76.954
Base-Backbone interact. energy: -1.814
local terms energy: -78.129027
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 2.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 631
Temperature: 1.066500
Total energy: -266.925454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.925454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.193447 (E_RNA)
where:
Base-Base interactions energy: -193.867
where: short stacking energy: -73.169
Base-Backbone interact. energy: -0.348
local terms energy: -74.978793
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 2.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 632
Temperature: 1.066050
Total energy: -266.360527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.360527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.804291 (E_RNA)
where:
Base-Base interactions energy: -180.845
where: short stacking energy: -76.080
Base-Backbone interact. energy: -0.684
local terms energy: -87.274566
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 2.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 633
Temperature: 1.065600
Total energy: -246.641378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.641378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.197112 (E_RNA)
where:
Base-Base interactions energy: -176.666
where: short stacking energy: -73.764
Base-Backbone interact. energy: -0.040
local terms energy: -72.491442
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 2.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 634
Temperature: 1.065150
Total energy: -239.879584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.879584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.638258 (E_RNA)
where:
Base-Base interactions energy: -165.843
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.652
local terms energy: -76.142743
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 2.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 635
Temperature: 1.064700
Total energy: -249.101576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.101576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.033683 (E_RNA)
where:
Base-Base interactions energy: -174.989
where: short stacking energy: -69.863
Base-Backbone interact. energy: -0.418
local terms energy: -76.626528
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 2.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 636
Temperature: 1.064250
Total energy: -258.800064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.800064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.130547 (E_RNA)
where:
Base-Base interactions energy: -167.542
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.138
local terms energy: -94.451038
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -23.464
Dist. restrs. and SS energy: 3.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 637
Temperature: 1.063800
Total energy: -263.362578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.362578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.555111 (E_RNA)
where:
Base-Base interactions energy: -173.973
where: short stacking energy: -76.477
Base-Backbone interact. energy: -0.325
local terms energy: -91.256347
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 2.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 638
Temperature: 1.063350
Total energy: -256.522616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.522616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.580479 (E_RNA)
where:
Base-Base interactions energy: -171.163
where: short stacking energy: -78.097
Base-Backbone interact. energy: -0.760
local terms energy: -86.657685
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 639
Temperature: 1.062900
Total energy: -251.660354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.660354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.449413 (E_RNA)
where:
Base-Base interactions energy: -175.752
where: short stacking energy: -73.125
Base-Backbone interact. energy: -0.206
local terms energy: -76.492234
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 640
Temperature: 1.062450
Total energy: -257.540240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.540240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.580684 (E_RNA)
where:
Base-Base interactions energy: -174.501
where: short stacking energy: -77.600
Base-Backbone interact. energy: -0.022
local terms energy: -85.058119
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 2.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 641
Temperature: 1.062000
Total energy: -261.024719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.024719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.594335 (E_RNA)
where:
Base-Base interactions energy: -177.325
where: short stacking energy: -81.511
Base-Backbone interact. energy: -1.464
local terms energy: -83.805198
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 1.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 642
Temperature: 1.061550
Total energy: -264.337269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.337269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.161467 (E_RNA)
where:
Base-Base interactions energy: -178.918
where: short stacking energy: -80.844
Base-Backbone interact. energy: -0.599
local terms energy: -86.644021
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 1.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 643
Temperature: 1.061100
Total energy: -265.670845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.670845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.488847 (E_RNA)
where:
Base-Base interactions energy: -174.046
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.298
local terms energy: -93.145514
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 1.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 644
Temperature: 1.060650
Total energy: -263.524454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.524454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.772438 (E_RNA)
where:
Base-Base interactions energy: -173.700
where: short stacking energy: -86.864
Base-Backbone interact. energy: -0.412
local terms energy: -92.660013
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 3.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 645
Temperature: 1.060200
Total energy: -258.046081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.046081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.932179 (E_RNA)
where:
Base-Base interactions energy: -173.026
where: short stacking energy: -82.575
Base-Backbone interact. energy: -0.307
local terms energy: -87.598889
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -24.704
Dist. restrs. and SS energy: 2.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 646
Temperature: 1.059750
Total energy: -266.889029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.889029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.304461 (E_RNA)
where:
Base-Base interactions energy: -185.205
where: short stacking energy: -88.837
Base-Backbone interact. energy: -0.003
local terms energy: -84.096777
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 2.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 647
Temperature: 1.059300
Total energy: -283.633044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.633044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.536973 (E_RNA)
where:
Base-Base interactions energy: -185.053
where: short stacking energy: -81.663
Base-Backbone interact. energy: -0.007
local terms energy: -100.477144
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -19.501
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -26.849
Dist. restrs. and SS energy: 1.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 648
Temperature: 1.058850
Total energy: -265.165900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.165900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.362818 (E_RNA)
where:
Base-Base interactions energy: -183.161
where: short stacking energy: -87.922
Base-Backbone interact. energy: -0.004
local terms energy: -84.197088
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 2.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 649
Temperature: 1.058400
Total energy: -261.969310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.969310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.160445 (E_RNA)
where:
Base-Base interactions energy: -182.715
where: short stacking energy: -81.741
Base-Backbone interact. energy: -0.022
local terms energy: -81.424182
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 2.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 650
Temperature: 1.057950
Total energy: -275.082193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.082193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.640421 (E_RNA)
where:
Base-Base interactions energy: -180.029
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.075
local terms energy: -97.537184
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -26.188
Dist. restrs. and SS energy: 2.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 651
Temperature: 1.057500
Total energy: -283.904731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.904731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.008864 (E_RNA)
where:
Base-Base interactions energy: -191.237
where: short stacking energy: -90.589
Base-Backbone interact. energy: -0.029
local terms energy: -94.743117
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -26.362
Dist. restrs. and SS energy: 2.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 652
Temperature: 1.057050
Total energy: -271.353528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.353528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.891492 (E_RNA)
where:
Base-Base interactions energy: -182.426
where: short stacking energy: -99.133
Base-Backbone interact. energy: -1.118
local terms energy: -90.347564
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -30.173
Dist. restrs. and SS energy: 2.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 653
Temperature: 1.056600
Total energy: -272.384471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.384471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.712302 (E_RNA)
where:
Base-Base interactions energy: -186.208
where: short stacking energy: -85.258
Base-Backbone interact. energy: -0.002
local terms energy: -89.502109
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 654
Temperature: 1.056150
Total energy: -260.527369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.527369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.349574 (E_RNA)
where:
Base-Base interactions energy: -185.458
where: short stacking energy: -86.022
Base-Backbone interact. energy: -0.326
local terms energy: -76.565100
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -21.171
Dist. restrs. and SS energy: 1.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 655
Temperature: 1.055700
Total energy: -285.042215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.042215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.294236 (E_RNA)
where:
Base-Base interactions energy: -191.723
where: short stacking energy: -93.078
Base-Backbone interact. energy: -0.046
local terms energy: -95.525629
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -20.192
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -28.464
Dist. restrs. and SS energy: 2.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 656
Temperature: 1.055250
Total energy: -279.247450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.247450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.266469 (E_RNA)
where:
Base-Base interactions energy: -185.694
where: short stacking energy: -91.107
Base-Backbone interact. energy: 1.512
local terms energy: -98.084745
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -14.206
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 3.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 657
Temperature: 1.054800
Total energy: -282.088564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.088564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.011264 (E_RNA)
where:
Base-Base interactions energy: -194.518
where: short stacking energy: -86.200
Base-Backbone interact. energy: -0.233
local terms energy: -89.260114
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 658
Temperature: 1.054350
Total energy: -275.896598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.896598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.071580 (E_RNA)
where:
Base-Base interactions energy: -191.935
where: short stacking energy: -76.605
Base-Backbone interact. energy: -1.072
local terms energy: -84.065195
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 1.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 659
Temperature: 1.053900
Total energy: -265.987615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.987615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.285400 (E_RNA)
where:
Base-Base interactions energy: -174.860
where: short stacking energy: -79.134
Base-Backbone interact. energy: -0.602
local terms energy: -92.823181
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 2.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 660
Temperature: 1.053450
Total energy: -268.691639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.691639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.596516 (E_RNA)
where:
Base-Base interactions energy: -184.060
where: short stacking energy: -84.518
Base-Backbone interact. energy: -0.431
local terms energy: -87.105192
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 2.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 661
Temperature: 1.053000
Total energy: -285.083878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.083878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.256409 (E_RNA)
where:
Base-Base interactions energy: -201.439
where: short stacking energy: -98.853
Base-Backbone interact. energy: -0.060
local terms energy: -86.756898
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 3.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 662
Temperature: 1.052550
Total energy: -286.632046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.632046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.638986 (E_RNA)
where:
Base-Base interactions energy: -197.865
where: short stacking energy: -91.925
Base-Backbone interact. energy: -0.005
local terms energy: -91.769427
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -24.280
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 663
Temperature: 1.052100
Total energy: -275.225951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.225951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.751974 (E_RNA)
where:
Base-Base interactions energy: -198.621
where: short stacking energy: -89.792
Base-Backbone interact. energy: -0.649
local terms energy: -78.482228
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 2.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 664
Temperature: 1.051650
Total energy: -270.456822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.456822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.418448 (E_RNA)
where:
Base-Base interactions energy: -181.653
where: short stacking energy: -85.702
Base-Backbone interact. energy: -0.906
local terms energy: -90.859490
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 2.962 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 665
Temperature: 1.051200
Total energy: -264.168505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.168505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.799316 (E_RNA)
where:
Base-Base interactions energy: -179.216
where: short stacking energy: -76.770
Base-Backbone interact. energy: -0.144
local terms energy: -90.438940
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -20.569
Dist. restrs. and SS energy: 5.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 666
Temperature: 1.050750
Total energy: -271.280083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.280083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.076691 (E_RNA)
where:
Base-Base interactions energy: -182.621
where: short stacking energy: -82.501
Base-Backbone interact. energy: -0.147
local terms energy: -90.309074
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 1.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 667
Temperature: 1.050300
Total energy: -265.885465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.885465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.632777 (E_RNA)
where:
Base-Base interactions energy: -172.691
where: short stacking energy: -78.351
Base-Backbone interact. energy: -0.002
local terms energy: -95.940070
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 2.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 668
Temperature: 1.049850
Total energy: -253.653285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.653285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.956320 (E_RNA)
where:
Base-Base interactions energy: -179.035
where: short stacking energy: -75.862
Base-Backbone interact. energy: -0.037
local terms energy: -76.884539
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 2.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 669
Temperature: 1.049400
Total energy: -255.149747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.149747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.835428 (E_RNA)
where:
Base-Base interactions energy: -173.457
where: short stacking energy: -76.068
Base-Backbone interact. energy: -1.050
local terms energy: -82.328246
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 1.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 670
Temperature: 1.048950
Total energy: -256.034134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.034134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.235826 (E_RNA)
where:
Base-Base interactions energy: -179.234
where: short stacking energy: -74.841
Base-Backbone interact. energy: -0.599
local terms energy: -78.403067
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 2.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 671
Temperature: 1.048500
Total energy: -260.801272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.801272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.666727 (E_RNA)
where:
Base-Base interactions energy: -178.376
where: short stacking energy: -77.134
Base-Backbone interact. energy: -0.023
local terms energy: -84.268140
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 1.865 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 672
Temperature: 1.048050
Total energy: -258.997638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.997638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.011171 (E_RNA)
where:
Base-Base interactions energy: -176.147
where: short stacking energy: -83.215
Base-Backbone interact. energy: -1.357
local terms energy: -83.506671
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 673
Temperature: 1.047600
Total energy: -269.664650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.664650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.635805 (E_RNA)
where:
Base-Base interactions energy: -189.336
where: short stacking energy: -83.025
Base-Backbone interact. energy: -1.360
local terms energy: -80.939052
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 1.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 674
Temperature: 1.047150
Total energy: -264.590334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.590334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.581184 (E_RNA)
where:
Base-Base interactions energy: -191.543
where: short stacking energy: -84.141
Base-Backbone interact. energy: -0.669
local terms energy: -74.369590
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 1.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 675
Temperature: 1.046700
Total energy: -269.398571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.398571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.644565 (E_RNA)
where:
Base-Base interactions energy: -193.064
where: short stacking energy: -85.928
Base-Backbone interact. energy: -0.162
local terms energy: -78.418886
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 2.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 676
Temperature: 1.046250
Total energy: -278.966200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.966200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.349376 (E_RNA)
where:
Base-Base interactions energy: -193.445
where: short stacking energy: -85.324
Base-Backbone interact. energy: -1.356
local terms energy: -86.548937
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -27.300
Dist. restrs. and SS energy: 2.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 677
Temperature: 1.045800
Total energy: -276.982483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.982483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.413104 (E_RNA)
where:
Base-Base interactions energy: -190.474
where: short stacking energy: -91.415
Base-Backbone interact. energy: -0.165
local terms energy: -88.774575
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 2.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 678
Temperature: 1.045350
Total energy: -274.300384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.300384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.531497 (E_RNA)
where:
Base-Base interactions energy: -186.792
where: short stacking energy: -77.248
Base-Backbone interact. energy: -0.545
local terms energy: -89.195130
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 2.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 679
Temperature: 1.044900
Total energy: -272.266775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.266775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.500339 (E_RNA)
where:
Base-Base interactions energy: -182.582
where: short stacking energy: -86.511
Base-Backbone interact. energy: -0.486
local terms energy: -91.431542
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 2.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 680
Temperature: 1.044450
Total energy: -278.249244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.249244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.205664 (E_RNA)
where:
Base-Base interactions energy: -186.231
where: short stacking energy: -82.350
Base-Backbone interact. energy: -0.009
local terms energy: -93.965559
where:
bonds (distance) C4'-P energy: -21.538
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 1.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 681
Temperature: 1.044000
Total energy: -278.234484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.234484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.907519 (E_RNA)
where:
Base-Base interactions energy: -187.738
where: short stacking energy: -84.383
Base-Backbone interact. energy: 1.870
local terms energy: -95.040030
where:
bonds (distance) C4'-P energy: -20.678
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 2.673 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 682
Temperature: 1.043550
Total energy: -269.895552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.895552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.200265 (E_RNA)
where:
Base-Base interactions energy: -180.838
where: short stacking energy: -88.920
Base-Backbone interact. energy: 0.390
local terms energy: -92.751931
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 683
Temperature: 1.043100
Total energy: -259.442913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.442913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.460304 (E_RNA)
where:
Base-Base interactions energy: -187.463
where: short stacking energy: -84.689
Base-Backbone interact. energy: 0.108
local terms energy: -77.105653
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 5.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 684
Temperature: 1.042650
Total energy: -261.714775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.714775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.019300 (E_RNA)
where:
Base-Base interactions energy: -173.291
where: short stacking energy: -79.105
Base-Backbone interact. energy: -1.272
local terms energy: -90.456637
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -15.585
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 3.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 685
Temperature: 1.042200
Total energy: -261.144269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.144269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.376584 (E_RNA)
where:
Base-Base interactions energy: -194.320
where: short stacking energy: -85.424
Base-Backbone interact. energy: -0.064
local terms energy: -71.991972
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 5.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 686
Temperature: 1.041750
Total energy: -268.021814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.021814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.551702 (E_RNA)
where:
Base-Base interactions energy: -183.890
where: short stacking energy: -85.664
Base-Backbone interact. energy: 0.894
local terms energy: -89.556143
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 4.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 687
Temperature: 1.041300
Total energy: -263.331358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.331358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.874686 (E_RNA)
where:
Base-Base interactions energy: -175.815
where: short stacking energy: -79.744
Base-Backbone interact. energy: -0.084
local terms energy: -90.976279
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -26.589
Dist. restrs. and SS energy: 3.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 688
Temperature: 1.040850
Total energy: -278.075491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.075491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.857296 (E_RNA)
where:
Base-Base interactions energy: -181.865
where: short stacking energy: -83.665
Base-Backbone interact. energy: 0.672
local terms energy: -102.664144
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -26.857
Dist. restrs. and SS energy: 5.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 689
Temperature: 1.040400
Total energy: -285.271147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.271147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.635052 (E_RNA)
where:
Base-Base interactions energy: -197.549
where: short stacking energy: -84.674
Base-Backbone interact. energy: -0.089
local terms energy: -90.996848
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 3.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 690
Temperature: 1.039950
Total energy: -268.222648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.222648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.860095 (E_RNA)
where:
Base-Base interactions energy: -186.809
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.048
local terms energy: -84.003186
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 2.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 691
Temperature: 1.039500
Total energy: -267.749491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.749491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.003904 (E_RNA)
where:
Base-Base interactions energy: -183.913
where: short stacking energy: -81.588
Base-Backbone interact. energy: -0.166
local terms energy: -87.924129
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 4.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 692
Temperature: 1.039050
Total energy: -265.909748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.909748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.104861 (E_RNA)
where:
Base-Base interactions energy: -181.828
where: short stacking energy: -83.499
Base-Backbone interact. energy: -0.729
local terms energy: -86.547550
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 3.195 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 693
Temperature: 1.038600
Total energy: -258.816623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.816623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.422904 (E_RNA)
where:
Base-Base interactions energy: -173.949
where: short stacking energy: -82.019
Base-Backbone interact. energy: -0.105
local terms energy: -89.368830
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 4.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 694
Temperature: 1.038150
Total energy: -269.797430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.797430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.118964 (E_RNA)
where:
Base-Base interactions energy: -186.435
where: short stacking energy: -88.296
Base-Backbone interact. energy: -0.770
local terms energy: -85.914273
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: 3.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 695
Temperature: 1.037700
Total energy: -277.543139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.543139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.065055 (E_RNA)
where:
Base-Base interactions energy: -192.835
where: short stacking energy: -96.234
Base-Backbone interact. energy: -0.108
local terms energy: -87.121985
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -27.812
Dist. restrs. and SS energy: 2.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 696
Temperature: 1.037250
Total energy: -275.623888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.623888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.204360 (E_RNA)
where:
Base-Base interactions energy: -189.546
where: short stacking energy: -91.735
Base-Backbone interact. energy: -0.006
local terms energy: -88.652032
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 2.580 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 697
Temperature: 1.036800
Total energy: -281.026823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.026823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.741360 (E_RNA)
where:
Base-Base interactions energy: -198.507
where: short stacking energy: -93.202
Base-Backbone interact. energy: -0.019
local terms energy: -85.215409
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 2.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 698
Temperature: 1.036350
Total energy: -265.385254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.385254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.160246 (E_RNA)
where:
Base-Base interactions energy: -184.952
where: short stacking energy: -80.963
Base-Backbone interact. energy: -0.177
local terms energy: -83.031828
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 2.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 699
Temperature: 1.035900
Total energy: -277.426160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.426160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.903421 (E_RNA)
where:
Base-Base interactions energy: -194.001
where: short stacking energy: -94.908
Base-Backbone interact. energy: -0.001
local terms energy: -85.901504
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -27.207
Dist. restrs. and SS energy: 2.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 700
Temperature: 1.035450
Total energy: -286.803343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.803343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.971646 (E_RNA)
where:
Base-Base interactions energy: -197.496
where: short stacking energy: -97.325
Base-Backbone interact. energy: 3.599
local terms energy: -97.074240
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 4.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 701
Temperature: 1.035000
Total energy: -281.307590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.307590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.583895 (E_RNA)
where:
Base-Base interactions energy: -189.624
where: short stacking energy: -90.513
Base-Backbone interact. energy: -1.026
local terms energy: -92.933882
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 2.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 702
Temperature: 1.034550
Total energy: -278.762909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.762909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.175743 (E_RNA)
where:
Base-Base interactions energy: -195.884
where: short stacking energy: -88.369
Base-Backbone interact. energy: -0.001
local terms energy: -85.290153
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 2.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 703
Temperature: 1.034100
Total energy: -280.835536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.835536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.149983 (E_RNA)
where:
Base-Base interactions energy: -189.226
where: short stacking energy: -84.626
Base-Backbone interact. energy: -0.030
local terms energy: -93.894022
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 2.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 704
Temperature: 1.033650
Total energy: -279.824665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.824665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.479224 (E_RNA)
where:
Base-Base interactions energy: -187.181
where: short stacking energy: -87.199
Base-Backbone interact. energy: -0.004
local terms energy: -95.294193
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -24.839
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 705
Temperature: 1.033200
Total energy: -283.632430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.632430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.942110 (E_RNA)
where:
Base-Base interactions energy: -189.979
where: short stacking energy: -97.160
Base-Backbone interact. energy: -1.025
local terms energy: -94.938197
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -27.459
Dist. restrs. and SS energy: 2.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 706
Temperature: 1.032750
Total energy: -297.765587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.765587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.156531 (E_RNA)
where:
Base-Base interactions energy: -202.294
where: short stacking energy: -96.156
Base-Backbone interact. energy: -0.179
local terms energy: -97.683762
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -28.524
Dist. restrs. and SS energy: 2.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 707
Temperature: 1.032300
Total energy: -273.069061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.069061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.548273 (E_RNA)
where:
Base-Base interactions energy: -193.259
where: short stacking energy: -101.476
Base-Backbone interact. energy: -0.006
local terms energy: -82.282649
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -28.162
Dist. restrs. and SS energy: 2.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 708
Temperature: 1.031850
Total energy: -284.936387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.936387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.648667 (E_RNA)
where:
Base-Base interactions energy: -193.877
where: short stacking energy: -97.833
Base-Backbone interact. energy: -0.026
local terms energy: -93.745660
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 709
Temperature: 1.031400
Total energy: -278.609660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.609660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.860322 (E_RNA)
where:
Base-Base interactions energy: -187.085
where: short stacking energy: -90.214
Base-Backbone interact. energy: -0.002
local terms energy: -93.773567
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -27.098
Dist. restrs. and SS energy: 2.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 710
Temperature: 1.030950
Total energy: -296.391491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.391491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.813396 (E_RNA)
where:
Base-Base interactions energy: -201.437
where: short stacking energy: -95.363
Base-Backbone interact. energy: -0.002
local terms energy: -97.374534
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -30.069
Dist. restrs. and SS energy: 2.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 711
Temperature: 1.030500
Total energy: -280.627584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.627584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.149157 (E_RNA)
where:
Base-Base interactions energy: -187.649
where: short stacking energy: -83.988
Base-Backbone interact. energy: -0.631
local terms energy: -95.869431
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -25.203
Dist. restrs. and SS energy: 3.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 712
Temperature: 1.030050
Total energy: -288.281075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.281075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.370415 (E_RNA)
where:
Base-Base interactions energy: -198.350
where: short stacking energy: -95.819
Base-Backbone interact. energy: -0.025
local terms energy: -91.995512
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -24.773
Dist. restrs. and SS energy: 2.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 713
Temperature: 1.029600
Total energy: -288.895534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.895534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.507483 (E_RNA)
where:
Base-Base interactions energy: -197.117
where: short stacking energy: -88.171
Base-Backbone interact. energy: -0.088
local terms energy: -94.303171
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -28.172
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 714
Temperature: 1.029150
Total energy: -274.716959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.716959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.515438 (E_RNA)
where:
Base-Base interactions energy: -183.765
where: short stacking energy: -78.507
Base-Backbone interact. energy: -0.457
local terms energy: -92.293329
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 1.798 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 715
Temperature: 1.028700
Total energy: -275.437114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.437114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.451552 (E_RNA)
where:
Base-Base interactions energy: -189.645
where: short stacking energy: -83.630
Base-Backbone interact. energy: -0.572
local terms energy: -87.234160
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 2.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 716
Temperature: 1.028250
Total energy: -281.354611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.354611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.089546 (E_RNA)
where:
Base-Base interactions energy: -189.224
where: short stacking energy: -84.385
Base-Backbone interact. energy: -0.592
local terms energy: -93.272817
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -24.963
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 717
Temperature: 1.027800
Total energy: -279.669430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.669430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.588161 (E_RNA)
where:
Base-Base interactions energy: -185.091
where: short stacking energy: -90.284
Base-Backbone interact. energy: 0.259
local terms energy: -97.755287
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 2.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 718
Temperature: 1.027350
Total energy: -282.181849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.181849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.267136 (E_RNA)
where:
Base-Base interactions energy: -191.623
where: short stacking energy: -96.508
Base-Backbone interact. energy: -0.007
local terms energy: -93.636990
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -21.096
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -29.906
Dist. restrs. and SS energy: 3.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 719
Temperature: 1.026900
Total energy: -281.248095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.248095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.859935 (E_RNA)
where:
Base-Base interactions energy: -189.925
where: short stacking energy: -89.755
Base-Backbone interact. energy: -0.384
local terms energy: -93.550388
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -26.981
Dist. restrs. and SS energy: 2.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 720
Temperature: 1.026450
Total energy: -278.414281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.414281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.624052 (E_RNA)
where:
Base-Base interactions energy: -192.896
where: short stacking energy: -91.817
Base-Backbone interact. energy: -0.570
local terms energy: -87.158127
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -24.686
Dist. restrs. and SS energy: 2.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 721
Temperature: 1.026000
Total energy: -283.779586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.779586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.169030 (E_RNA)
where:
Base-Base interactions energy: -192.665
where: short stacking energy: -88.975
Base-Backbone interact. energy: -0.343
local terms energy: -93.160236
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -25.799
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 722
Temperature: 1.025550
Total energy: -285.188394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.188394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.248058 (E_RNA)
where:
Base-Base interactions energy: -202.200
where: short stacking energy: -95.616
Base-Backbone interact. energy: -0.254
local terms energy: -84.794008
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 723
Temperature: 1.025100
Total energy: -280.455201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.455201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.620483 (E_RNA)
where:
Base-Base interactions energy: -187.835
where: short stacking energy: -83.343
Base-Backbone interact. energy: -0.015
local terms energy: -95.771000
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 3.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 724
Temperature: 1.024650
Total energy: -286.902876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.902876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.710755 (E_RNA)
where:
Base-Base interactions energy: -189.018
where: short stacking energy: -90.284
Base-Backbone interact. energy: -0.007
local terms energy: -100.685801
where:
bonds (distance) C4'-P energy: -20.549
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -30.362
Dist. restrs. and SS energy: 2.808 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 725
Temperature: 1.024200
Total energy: -292.650803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.650803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.721547 (E_RNA)
where:
Base-Base interactions energy: -187.044
where: short stacking energy: -102.656
Base-Backbone interact. energy: -0.032
local terms energy: -108.646226
where:
bonds (distance) C4'-P energy: -20.489
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -15.453
tors. eta vs tors. theta energy: -28.862
Dist. restrs. and SS energy: 3.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 726
Temperature: 1.023750
Total energy: -272.420829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.420829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.844800 (E_RNA)
where:
Base-Base interactions energy: -179.719
where: short stacking energy: -84.541
Base-Backbone interact. energy: -0.022
local terms energy: -96.103503
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -20.895
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 3.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 727
Temperature: 1.023300
Total energy: -282.134334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.134334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.242387 (E_RNA)
where:
Base-Base interactions energy: -191.077
where: short stacking energy: -95.870
Base-Backbone interact. energy: -0.000
local terms energy: -93.165239
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -28.765
Dist. restrs. and SS energy: 2.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 728
Temperature: 1.022850
Total energy: -273.143566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.143566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.263803 (E_RNA)
where:
Base-Base interactions energy: -188.327
where: short stacking energy: -88.136
Base-Backbone interact. energy: -0.009
local terms energy: -86.928511
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -19.188
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -24.276
Dist. restrs. and SS energy: 2.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 729
Temperature: 1.022400
Total energy: -273.479553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.479553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.486698 (E_RNA)
where:
Base-Base interactions energy: -188.581
where: short stacking energy: -88.924
Base-Backbone interact. energy: -0.421
local terms energy: -86.484772
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 2.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 730
Temperature: 1.021950
Total energy: -277.984180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.984180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.046070 (E_RNA)
where:
Base-Base interactions energy: -184.526
where: short stacking energy: -86.439
Base-Backbone interact. energy: -0.404
local terms energy: -95.115260
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -24.113
Dist. restrs. and SS energy: 2.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 731
Temperature: 1.021500
Total energy: -281.495184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.495184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.624677 (E_RNA)
where:
Base-Base interactions energy: -186.977
where: short stacking energy: -93.915
Base-Backbone interact. energy: -0.714
local terms energy: -95.934513
where:
bonds (distance) C4'-P energy: -21.278
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -26.992
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 732
Temperature: 1.021050
Total energy: -277.196391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.196391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.034102 (E_RNA)
where:
Base-Base interactions energy: -190.566
where: short stacking energy: -88.863
Base-Backbone interact. energy: -0.844
local terms energy: -87.625062
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -25.311
Dist. restrs. and SS energy: 1.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 733
Temperature: 1.020600
Total energy: -276.446618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.446618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.759007 (E_RNA)
where:
Base-Base interactions energy: -181.143
where: short stacking energy: -85.269
Base-Backbone interact. energy: -0.746
local terms energy: -96.869072
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -30.224
Dist. restrs. and SS energy: 2.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 734
Temperature: 1.020150
Total energy: -280.950407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.950407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.130770 (E_RNA)
where:
Base-Base interactions energy: -195.863
where: short stacking energy: -98.979
Base-Backbone interact. energy: -0.016
local terms energy: -87.251012
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 2.180 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 735
Temperature: 1.019700
Total energy: -289.283453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.283453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.814759 (E_RNA)
where:
Base-Base interactions energy: -200.796
where: short stacking energy: -98.557
Base-Backbone interact. energy: -0.001
local terms energy: -91.017562
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 2.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 736
Temperature: 1.019250
Total energy: -284.679437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.679437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.873773 (E_RNA)
where:
Base-Base interactions energy: -195.646
where: short stacking energy: -94.908
Base-Backbone interact. energy: -1.920
local terms energy: -89.308341
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 2.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 737
Temperature: 1.018800
Total energy: -288.741887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.741887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.183875 (E_RNA)
where:
Base-Base interactions energy: -195.121
where: short stacking energy: -88.247
Base-Backbone interact. energy: -0.321
local terms energy: -95.741486
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -27.863
Dist. restrs. and SS energy: 2.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 738
Temperature: 1.018350
Total energy: -287.721565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.721565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.778469 (E_RNA)
where:
Base-Base interactions energy: -199.942
where: short stacking energy: -93.744
Base-Backbone interact. energy: 0.232
local terms energy: -91.068574
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -27.419
Dist. restrs. and SS energy: 3.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 739
Temperature: 1.017900
Total energy: -269.364560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.364560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.127896 (E_RNA)
where:
Base-Base interactions energy: -185.903
where: short stacking energy: -80.274
Base-Backbone interact. energy: -0.555
local terms energy: -85.669279
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 2.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 740
Temperature: 1.017450
Total energy: -283.421394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.421394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.245942 (E_RNA)
where:
Base-Base interactions energy: -194.769
where: short stacking energy: -92.431
Base-Backbone interact. energy: -0.419
local terms energy: -91.058493
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -26.803
Dist. restrs. and SS energy: 2.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 741
Temperature: 1.017000
Total energy: -281.201236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.201236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.853138 (E_RNA)
where:
Base-Base interactions energy: -188.905
where: short stacking energy: -94.337
Base-Backbone interact. energy: -0.013
local terms energy: -93.934531
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -26.788
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 742
Temperature: 1.016550
Total energy: -290.318156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.318156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.811135 (E_RNA)
where:
Base-Base interactions energy: -193.834
where: short stacking energy: -92.324
Base-Backbone interact. energy: -0.406
local terms energy: -98.570705
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 2.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 743
Temperature: 1.016100
Total energy: -299.265369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.265369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.715019 (E_RNA)
where:
Base-Base interactions energy: -200.291
where: short stacking energy: -102.848
Base-Backbone interact. energy: -0.011
local terms energy: -101.413185
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -17.313
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 744
Temperature: 1.015650
Total energy: -281.434347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.434347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.783692 (E_RNA)
where:
Base-Base interactions energy: -190.458
where: short stacking energy: -94.889
Base-Backbone interact. energy: -0.165
local terms energy: -93.161296
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -22.301
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -25.107
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 745
Temperature: 1.015200
Total energy: -279.283558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.283558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.551052 (E_RNA)
where:
Base-Base interactions energy: -190.707
where: short stacking energy: -90.981
Base-Backbone interact. energy: -0.098
local terms energy: -90.745798
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 2.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 746
Temperature: 1.014750
Total energy: -293.919507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.919507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.780128 (E_RNA)
where:
Base-Base interactions energy: -201.549
where: short stacking energy: -97.231
Base-Backbone interact. energy: 0.509
local terms energy: -94.739560
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 1.861 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 747
Temperature: 1.014300
Total energy: -277.944056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.944056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.633984 (E_RNA)
where:
Base-Base interactions energy: -202.619
where: short stacking energy: -103.282
Base-Backbone interact. energy: -0.007
local terms energy: -78.007582
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 2.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 748
Temperature: 1.013850
Total energy: -273.928423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.928423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.191424 (E_RNA)
where:
Base-Base interactions energy: -181.725
where: short stacking energy: -95.108
Base-Backbone interact. energy: -0.741
local terms energy: -93.724541
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 2.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 749
Temperature: 1.013400
Total energy: -263.666536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.666536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.436092 (E_RNA)
where:
Base-Base interactions energy: -179.308
where: short stacking energy: -85.531
Base-Backbone interact. energy: -0.578
local terms energy: -85.550211
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -13.955
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 1.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 750
Temperature: 1.012950
Total energy: -282.037827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.037827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.815982 (E_RNA)
where:
Base-Base interactions energy: -188.663
where: short stacking energy: -88.235
Base-Backbone interact. energy: -0.367
local terms energy: -94.786061
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -16.059
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 1.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 751
Temperature: 1.012500
Total energy: -282.856664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.856664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.302474 (E_RNA)
where:
Base-Base interactions energy: -195.305
where: short stacking energy: -95.409
Base-Backbone interact. energy: 0.884
local terms energy: -90.882049
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -20.261
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -25.703
Dist. restrs. and SS energy: 2.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 752
Temperature: 1.012050
Total energy: -285.561408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.561408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.216412 (E_RNA)
where:
Base-Base interactions energy: -197.715
where: short stacking energy: -98.030
Base-Backbone interact. energy: 0.304
local terms energy: -90.804805
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 2.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 753
Temperature: 1.011600
Total energy: -292.086255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.086255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.935218 (E_RNA)
where:
Base-Base interactions energy: -196.871
where: short stacking energy: -89.573
Base-Backbone interact. energy: -0.006
local terms energy: -98.058569
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -24.182
Dist. restrs. and SS energy: 2.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 754
Temperature: 1.011150
Total energy: -287.023320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.023320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.081325 (E_RNA)
where:
Base-Base interactions energy: -193.662
where: short stacking energy: -103.193
Base-Backbone interact. energy: -0.855
local terms energy: -94.564592
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -26.761
Dist. restrs. and SS energy: 2.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 755
Temperature: 1.010700
Total energy: -292.314194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.314194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.621800 (E_RNA)
where:
Base-Base interactions energy: -197.879
where: short stacking energy: -94.433
Base-Backbone interact. energy: -0.474
local terms energy: -96.268980
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -28.823
Dist. restrs. and SS energy: 2.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 756
Temperature: 1.010250
Total energy: -281.354506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.354506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.714812 (E_RNA)
where:
Base-Base interactions energy: -184.800
where: short stacking energy: -93.174
Base-Backbone interact. energy: -0.093
local terms energy: -98.821309
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -21.408
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -26.572
Dist. restrs. and SS energy: 2.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 757
Temperature: 1.009800
Total energy: -295.807688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.807688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.464368 (E_RNA)
where:
Base-Base interactions energy: -196.043
where: short stacking energy: -95.929
Base-Backbone interact. energy: -0.002
local terms energy: -102.419273
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -16.742
tors. eta vs tors. theta energy: -30.403
Dist. restrs. and SS energy: 2.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 758
Temperature: 1.009350
Total energy: -295.304437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.304437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.978857 (E_RNA)
where:
Base-Base interactions energy: -199.770
where: short stacking energy: -98.823
Base-Backbone interact. energy: -0.029
local terms energy: -98.179604
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 759
Temperature: 1.008900
Total energy: -287.265208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.265208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.782609 (E_RNA)
where:
Base-Base interactions energy: -191.999
where: short stacking energy: -96.622
Base-Backbone interact. energy: -0.009
local terms energy: -97.774516
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -28.225
Dist. restrs. and SS energy: 2.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 760
Temperature: 1.008450
Total energy: -288.435329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.435329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.359299 (E_RNA)
where:
Base-Base interactions energy: -189.444
where: short stacking energy: -89.856
Base-Backbone interact. energy: -0.160
local terms energy: -101.756049
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -28.630
Dist. restrs. and SS energy: 2.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 761
Temperature: 1.008000
Total energy: -278.060309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.060309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.340210 (E_RNA)
where:
Base-Base interactions energy: -180.527
where: short stacking energy: -82.477
Base-Backbone interact. energy: -2.714
local terms energy: -97.099476
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 2.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 762
Temperature: 1.007550
Total energy: -285.124729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.124729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.465197 (E_RNA)
where:
Base-Base interactions energy: -188.129
where: short stacking energy: -87.922
Base-Backbone interact. energy: -0.004
local terms energy: -99.332566
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -23.588
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -29.542
Dist. restrs. and SS energy: 2.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 763
Temperature: 1.007100
Total energy: -283.248760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.248760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.703480 (E_RNA)
where:
Base-Base interactions energy: -186.339
where: short stacking energy: -84.105
Base-Backbone interact. energy: -0.413
local terms energy: -98.951234
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 2.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 764
Temperature: 1.006650
Total energy: -280.388187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.388187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.647114 (E_RNA)
where:
Base-Base interactions energy: -183.887
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.049
local terms energy: -98.711288
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -26.435
Dist. restrs. and SS energy: 2.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 765
Temperature: 1.006200
Total energy: -288.657174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.657174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.288877 (E_RNA)
where:
Base-Base interactions energy: -194.575
where: short stacking energy: -91.790
Base-Backbone interact. energy: -0.002
local terms energy: -96.711655
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -22.872
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -26.293
Dist. restrs. and SS energy: 2.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 766
Temperature: 1.005750
Total energy: -278.763024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.763024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.076970 (E_RNA)
where:
Base-Base interactions energy: -200.576
where: short stacking energy: -87.555
Base-Backbone interact. energy: -0.004
local terms energy: -80.496753
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -25.036
Dist. restrs. and SS energy: 2.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 767
Temperature: 1.005300
Total energy: -294.162934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.162934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.068825 (E_RNA)
where:
Base-Base interactions energy: -201.318
where: short stacking energy: -86.507
Base-Backbone interact. energy: -0.152
local terms energy: -95.598222
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -28.575
Dist. restrs. and SS energy: 2.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 768
Temperature: 1.004850
Total energy: -296.763561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.763561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.054488 (E_RNA)
where:
Base-Base interactions energy: -206.990
where: short stacking energy: -95.699
Base-Backbone interact. energy: -0.646
local terms energy: -91.418782
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: 2.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 769
Temperature: 1.004400
Total energy: -284.238465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.238465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.651277 (E_RNA)
where:
Base-Base interactions energy: -193.969
where: short stacking energy: -90.201
Base-Backbone interact. energy: -0.221
local terms energy: -92.460719
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 2.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 770
Temperature: 1.003950
Total energy: -289.246238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.246238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.613187 (E_RNA)
where:
Base-Base interactions energy: -192.595
where: short stacking energy: -82.307
Base-Backbone interact. energy: -0.001
local terms energy: -99.016767
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 2.367 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 771
Temperature: 1.003500
Total energy: -290.039216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.039216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.692344 (E_RNA)
where:
Base-Base interactions energy: -202.016
where: short stacking energy: -86.445
Base-Backbone interact. energy: -0.001
local terms energy: -91.675377
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -25.208
Dist. restrs. and SS energy: 3.653 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 772
Temperature: 1.003050
Total energy: -291.050623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.050623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.511795 (E_RNA)
where:
Base-Base interactions energy: -200.011
where: short stacking energy: -89.875
Base-Backbone interact. energy: -0.005
local terms energy: -93.495712
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -26.650
Dist. restrs. and SS energy: 2.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 773
Temperature: 1.002600
Total energy: -292.528476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.528476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.235973 (E_RNA)
where:
Base-Base interactions energy: -192.007
where: short stacking energy: -93.284
Base-Backbone interact. energy: -0.220
local terms energy: -103.009813
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -27.976
Dist. restrs. and SS energy: 2.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 774
Temperature: 1.002150
Total energy: -295.253278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.253278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.616781 (E_RNA)
where:
Base-Base interactions energy: -207.849
where: short stacking energy: -101.413
Base-Backbone interact. energy: -0.003
local terms energy: -89.765477
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -30.149
Dist. restrs. and SS energy: 2.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 775
Temperature: 1.001700
Total energy: -287.652146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.652146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.930408 (E_RNA)
where:
Base-Base interactions energy: -198.571
where: short stacking energy: -100.521
Base-Backbone interact. energy: -0.635
local terms energy: -90.724320
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -17.140
tors. eta vs tors. theta energy: -25.601
Dist. restrs. and SS energy: 2.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 776
Temperature: 1.001250
Total energy: -291.556224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.556224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.132696 (E_RNA)
where:
Base-Base interactions energy: -201.188
where: short stacking energy: -97.445
Base-Backbone interact. energy: -0.010
local terms energy: -92.934820
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -23.554
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -22.670
Dist. restrs. and SS energy: 2.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 777
Temperature: 1.000800
Total energy: -282.959982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.959982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.294624 (E_RNA)
where:
Base-Base interactions energy: -188.905
where: short stacking energy: -94.809
Base-Backbone interact. energy: -0.003
local terms energy: -96.387536
where:
bonds (distance) C4'-P energy: -18.065
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 778
Temperature: 1.000350
Total energy: -268.367864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.367864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.941514 (E_RNA)
where:
Base-Base interactions energy: -171.360
where: short stacking energy: -82.287
Base-Backbone interact. energy: -0.581
local terms energy: -99.000470
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 2.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 779
Temperature: 0.999900
Total energy: -287.330006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.330006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.249016 (E_RNA)
where:
Base-Base interactions energy: -192.471
where: short stacking energy: -91.590
Base-Backbone interact. energy: -1.101
local terms energy: -96.677585
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -28.954
Dist. restrs. and SS energy: 2.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 780
Temperature: 0.999450
Total energy: -283.606077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.606077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.220289 (E_RNA)
where:
Base-Base interactions energy: -195.210
where: short stacking energy: -99.248
Base-Backbone interact. energy: -0.041
local terms energy: -90.969633
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -29.801
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 781
Temperature: 0.999000
Total energy: -278.703168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.703168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.703469 (E_RNA)
where:
Base-Base interactions energy: -194.202
where: short stacking energy: -87.349
Base-Backbone interact. energy: -0.721
local terms energy: -85.779982
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 2.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 782
Temperature: 0.998550
Total energy: -283.333864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.333864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.565501 (E_RNA)
where:
Base-Base interactions energy: -189.455
where: short stacking energy: -87.354
Base-Backbone interact. energy: -1.134
local terms energy: -96.976337
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -23.860
Dist. restrs. and SS energy: 4.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 783
Temperature: 0.998100
Total energy: -285.608427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.608427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.819937 (E_RNA)
where:
Base-Base interactions energy: -200.203
where: short stacking energy: -91.767
Base-Backbone interact. energy: -0.091
local terms energy: -88.525620
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 3.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 784
Temperature: 0.997650
Total energy: -285.697299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.697299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.579811 (E_RNA)
where:
Base-Base interactions energy: -192.367
where: short stacking energy: -94.264
Base-Backbone interact. energy: -0.892
local terms energy: -94.321065
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -27.431
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 785
Temperature: 0.997200
Total energy: -291.081253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.081253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.053106 (E_RNA)
where:
Base-Base interactions energy: -200.862
where: short stacking energy: -93.224
Base-Backbone interact. energy: -0.663
local terms energy: -91.528004
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -15.772
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 1.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 786
Temperature: 0.996750
Total energy: -294.187051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.187051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.186230 (E_RNA)
where:
Base-Base interactions energy: -193.312
where: short stacking energy: -91.909
Base-Backbone interact. energy: -1.935
local terms energy: -100.939127
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -27.845
Dist. restrs. and SS energy: 1.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 787
Temperature: 0.996300
Total energy: -281.365606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.365606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.396189 (E_RNA)
where:
Base-Base interactions energy: -196.037
where: short stacking energy: -91.607
Base-Backbone interact. energy: -0.188
local terms energy: -88.171477
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -25.926
Dist. restrs. and SS energy: 3.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 788
Temperature: 0.995850
Total energy: -296.789712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.789712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.423071 (E_RNA)
where:
Base-Base interactions energy: -198.579
where: short stacking energy: -94.000
Base-Backbone interact. energy: -1.014
local terms energy: -99.830573
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -26.940
Dist. restrs. and SS energy: 2.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 789
Temperature: 0.995400
Total energy: -278.130498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.130498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.480052 (E_RNA)
where:
Base-Base interactions energy: -194.680
where: short stacking energy: -86.752
Base-Backbone interact. energy: -0.005
local terms energy: -85.795167
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -20.400
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 790
Temperature: 0.994950
Total energy: -293.197031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.197031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.546322 (E_RNA)
where:
Base-Base interactions energy: -196.368
where: short stacking energy: -94.615
Base-Backbone interact. energy: -2.393
local terms energy: -96.785625
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 2.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 791
Temperature: 0.994500
Total energy: -286.566207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.566207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.286061 (E_RNA)
where:
Base-Base interactions energy: -196.661
where: short stacking energy: -93.564
Base-Backbone interact. energy: -2.246
local terms energy: -89.379161
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 792
Temperature: 0.994050
Total energy: -269.435196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.435196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.084306 (E_RNA)
where:
Base-Base interactions energy: -182.763
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.395
local terms energy: -87.925552
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 793
Temperature: 0.993600
Total energy: -276.278156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.278156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.820197 (E_RNA)
where:
Base-Base interactions energy: -196.060
where: short stacking energy: -86.823
Base-Backbone interact. energy: 0.067
local terms energy: -82.827698
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 2.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 794
Temperature: 0.993150
Total energy: -281.827061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.827061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.977526 (E_RNA)
where:
Base-Base interactions energy: -195.334
where: short stacking energy: -90.135
Base-Backbone interact. energy: -0.003
local terms energy: -88.639839
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 795
Temperature: 0.992700
Total energy: -284.691902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.691902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.819400 (E_RNA)
where:
Base-Base interactions energy: -200.689
where: short stacking energy: -84.434
Base-Backbone interact. energy: -0.524
local terms energy: -85.606318
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -23.401
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 796
Temperature: 0.992250
Total energy: -286.048485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.048485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.354293 (E_RNA)
where:
Base-Base interactions energy: -198.856
where: short stacking energy: -94.366
Base-Backbone interact. energy: -0.770
local terms energy: -88.728529
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -25.251
Dist. restrs. and SS energy: 2.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 797
Temperature: 0.991800
Total energy: -289.373282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.373282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.740850 (E_RNA)
where:
Base-Base interactions energy: -194.662
where: short stacking energy: -88.255
Base-Backbone interact. energy: -0.330
local terms energy: -96.748738
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -26.268
Dist. restrs. and SS energy: 2.368 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 798
Temperature: 0.991350
Total energy: -284.197917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.197917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.348519 (E_RNA)
where:
Base-Base interactions energy: -196.912
where: short stacking energy: -90.860
Base-Backbone interact. energy: -0.844
local terms energy: -88.592561
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -25.120
Dist. restrs. and SS energy: 2.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 799
Temperature: 0.990900
Total energy: -286.726218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.726218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.879827 (E_RNA)
where:
Base-Base interactions energy: -192.479
where: short stacking energy: -83.062
Base-Backbone interact. energy: -1.273
local terms energy: -95.127440
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 800
Temperature: 0.990450
Total energy: -276.924401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.924401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.592174 (E_RNA)
where:
Base-Base interactions energy: -199.914
where: short stacking energy: -95.323
Base-Backbone interact. energy: -0.596
local terms energy: -79.082131
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 2.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 801
Temperature: 0.990000
Total energy: -279.783672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.783672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.386355 (E_RNA)
where:
Base-Base interactions energy: -187.158
where: short stacking energy: -85.646
Base-Backbone interact. energy: -0.192
local terms energy: -95.036208
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -19.497
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -24.120
Dist. restrs. and SS energy: 2.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 802
Temperature: 0.989550
Total energy: -289.021563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.021563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.465450 (E_RNA)
where:
Base-Base interactions energy: -201.875
where: short stacking energy: -92.403
Base-Backbone interact. energy: 0.435
local terms energy: -91.025122
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 3.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 803
Temperature: 0.989100
Total energy: -287.400801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.400801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.247325 (E_RNA)
where:
Base-Base interactions energy: -197.227
where: short stacking energy: -83.616
Base-Backbone interact. energy: 0.566
local terms energy: -94.587163
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -22.997
Dist. restrs. and SS energy: 3.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 804
Temperature: 0.988650
Total energy: -284.624441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.624441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.238040 (E_RNA)
where:
Base-Base interactions energy: -197.586
where: short stacking energy: -85.501
Base-Backbone interact. energy: -0.388
local terms energy: -89.264642
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 2.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 805
Temperature: 0.988200
Total energy: -284.740436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.740436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.463824 (E_RNA)
where:
Base-Base interactions energy: -199.799
where: short stacking energy: -81.455
Base-Backbone interact. energy: -0.294
local terms energy: -87.371667
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -23.460
Dist. restrs. and SS energy: 2.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 806
Temperature: 0.987750
Total energy: -286.109170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.109170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.900333 (E_RNA)
where:
Base-Base interactions energy: -193.400
where: short stacking energy: -84.132
Base-Backbone interact. energy: -0.076
local terms energy: -95.424169
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -25.172
Dist. restrs. and SS energy: 2.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 807
Temperature: 0.987300
Total energy: -291.710063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.710063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.860200 (E_RNA)
where:
Base-Base interactions energy: -199.779
where: short stacking energy: -85.259
Base-Backbone interact. energy: -0.025
local terms energy: -94.056938
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 2.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 808
Temperature: 0.986850
Total energy: -288.762642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.762642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.103254 (E_RNA)
where:
Base-Base interactions energy: -198.405
where: short stacking energy: -94.518
Base-Backbone interact. energy: 1.457
local terms energy: -94.155417
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -24.010
Dist. restrs. and SS energy: 2.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 809
Temperature: 0.986400
Total energy: -293.356791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.356791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.460056 (E_RNA)
where:
Base-Base interactions energy: -207.324
where: short stacking energy: -97.221
Base-Backbone interact. energy: -0.007
local terms energy: -88.129296
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 2.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 810
Temperature: 0.985950
Total energy: -288.430902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.430902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.946960 (E_RNA)
where:
Base-Base interactions energy: -201.583
where: short stacking energy: -96.948
Base-Backbone interact. energy: 1.184
local terms energy: -90.548424
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -26.829
Dist. restrs. and SS energy: 2.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 811
Temperature: 0.985500
Total energy: -287.706373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.706373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.595655 (E_RNA)
where:
Base-Base interactions energy: -194.451
where: short stacking energy: -88.751
Base-Backbone interact. energy: -2.977
local terms energy: -92.167320
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 1.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 812
Temperature: 0.985050
Total energy: -283.254640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.254640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.925292 (E_RNA)
where:
Base-Base interactions energy: -197.228
where: short stacking energy: -90.752
Base-Backbone interact. energy: -0.610
local terms energy: -87.088065
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 813
Temperature: 0.984600
Total energy: -293.874649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.874649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.939411 (E_RNA)
where:
Base-Base interactions energy: -206.935
where: short stacking energy: -94.454
Base-Backbone interact. energy: -0.080
local terms energy: -88.924100
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 2.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 814
Temperature: 0.984150
Total energy: -292.233400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.233400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.927293 (E_RNA)
where:
Base-Base interactions energy: -198.173
where: short stacking energy: -96.746
Base-Backbone interact. energy: -0.040
local terms energy: -96.713964
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -28.915
Dist. restrs. and SS energy: 2.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 815
Temperature: 0.983700
Total energy: -280.879468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.879468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.987877 (E_RNA)
where:
Base-Base interactions energy: -190.848
where: short stacking energy: -90.452
Base-Backbone interact. energy: -0.019
local terms energy: -92.120595
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 2.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 816
Temperature: 0.983250
Total energy: -284.372272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.372272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.354955 (E_RNA)
where:
Base-Base interactions energy: -190.166
where: short stacking energy: -86.902
Base-Backbone interact. energy: -0.267
local terms energy: -97.921990
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -23.850
Dist. restrs. and SS energy: 3.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 817
Temperature: 0.982800
Total energy: -281.241059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.241059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.526336 (E_RNA)
where:
Base-Base interactions energy: -191.604
where: short stacking energy: -84.223
Base-Backbone interact. energy: 0.378
local terms energy: -93.300617
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -25.387
Dist. restrs. and SS energy: 3.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 818
Temperature: 0.982350
Total energy: -284.216043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.216043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.948865 (E_RNA)
where:
Base-Base interactions energy: -192.763
where: short stacking energy: -97.332
Base-Backbone interact. energy: -0.008
local terms energy: -94.177426
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -29.768
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 819
Temperature: 0.981900
Total energy: -292.968042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.968042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.750731 (E_RNA)
where:
Base-Base interactions energy: -189.436
where: short stacking energy: -95.338
Base-Backbone interact. energy: -0.434
local terms energy: -105.880429
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -29.438
Dist. restrs. and SS energy: 2.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 820
Temperature: 0.981450
Total energy: -286.328779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.328779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.025051 (E_RNA)
where:
Base-Base interactions energy: -193.529
where: short stacking energy: -92.353
Base-Backbone interact. energy: -0.255
local terms energy: -95.240372
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -30.441
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 821
Temperature: 0.981000
Total energy: -277.449285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.449285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.684177 (E_RNA)
where:
Base-Base interactions energy: -193.363
where: short stacking energy: -92.921
Base-Backbone interact. energy: -0.005
local terms energy: -86.316201
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -27.882
Dist. restrs. and SS energy: 2.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 822
Temperature: 0.980550
Total energy: -293.132982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.132982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.232489 (E_RNA)
where:
Base-Base interactions energy: -191.249
where: short stacking energy: -92.669
Base-Backbone interact. energy: -0.031
local terms energy: -103.952203
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -16.123
tors. eta vs tors. theta energy: -28.870
Dist. restrs. and SS energy: 2.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 823
Temperature: 0.980100
Total energy: -293.025651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.025651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.118158 (E_RNA)
where:
Base-Base interactions energy: -198.109
where: short stacking energy: -96.737
Base-Backbone interact. energy: -0.008
local terms energy: -97.001703
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -31.395
Dist. restrs. and SS energy: 2.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 824
Temperature: 0.979650
Total energy: -285.891828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.891828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.789886 (E_RNA)
where:
Base-Base interactions energy: -195.644
where: short stacking energy: -102.908
Base-Backbone interact. energy: -0.008
local terms energy: -93.138069
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -28.875
Dist. restrs. and SS energy: 2.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 825
Temperature: 0.979200
Total energy: -292.442718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.442718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.478363 (E_RNA)
where:
Base-Base interactions energy: -196.392
where: short stacking energy: -92.246
Base-Backbone interact. energy: -0.650
local terms energy: -97.435669
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -29.364
Dist. restrs. and SS energy: 2.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 826
Temperature: 0.978750
Total energy: -293.444163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.444163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.598063 (E_RNA)
where:
Base-Base interactions energy: -186.995
where: short stacking energy: -91.431
Base-Backbone interact. energy: -0.292
local terms energy: -108.310773
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -28.293
Dist. restrs. and SS energy: 2.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 827
Temperature: 0.978300
Total energy: -274.898925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.898925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.929303 (E_RNA)
where:
Base-Base interactions energy: -184.990
where: short stacking energy: -84.722
Base-Backbone interact. energy: -0.612
local terms energy: -91.326776
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -26.005
Dist. restrs. and SS energy: 2.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 828
Temperature: 0.977850
Total energy: -287.065676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.065676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.637885 (E_RNA)
where:
Base-Base interactions energy: -190.187
where: short stacking energy: -91.454
Base-Backbone interact. energy: 0.569
local terms energy: -100.019479
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -26.908
Dist. restrs. and SS energy: 2.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 829
Temperature: 0.977400
Total energy: -281.817488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.817488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.780967 (E_RNA)
where:
Base-Base interactions energy: -189.701
where: short stacking energy: -89.729
Base-Backbone interact. energy: -0.126
local terms energy: -93.953938
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 1.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 830
Temperature: 0.976950
Total energy: -297.972422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.972422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.554161 (E_RNA)
where:
Base-Base interactions energy: -195.860
where: short stacking energy: -97.797
Base-Backbone interact. energy: -0.026
local terms energy: -104.667902
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -29.302
Dist. restrs. and SS energy: 2.582 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 831
Temperature: 0.976500
Total energy: -290.052769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.052769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.520239 (E_RNA)
where:
Base-Base interactions energy: -194.181
where: short stacking energy: -96.863
Base-Backbone interact. energy: -0.428
local terms energy: -97.911315
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 2.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 832
Temperature: 0.976050
Total energy: -270.987449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.987449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.765420 (E_RNA)
where:
Base-Base interactions energy: -179.963
where: short stacking energy: -77.811
Base-Backbone interact. energy: -0.490
local terms energy: -92.312114
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -20.856
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -25.474
Dist. restrs. and SS energy: 1.778 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 833
Temperature: 0.975600
Total energy: -274.645791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.645791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.668222 (E_RNA)
where:
Base-Base interactions energy: -188.733
where: short stacking energy: -86.928
Base-Backbone interact. energy: -0.007
local terms energy: -87.928234
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 2.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 834
Temperature: 0.975150
Total energy: -286.165574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.165574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.047118 (E_RNA)
where:
Base-Base interactions energy: -186.304
where: short stacking energy: -97.722
Base-Backbone interact. energy: -0.083
local terms energy: -101.659586
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -16.774
tors. eta vs tors. theta energy: -30.652
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 835
Temperature: 0.974700
Total energy: -281.841959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.841959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.537554 (E_RNA)
where:
Base-Base interactions energy: -183.201
where: short stacking energy: -88.228
Base-Backbone interact. energy: -0.533
local terms energy: -100.804002
where:
bonds (distance) C4'-P energy: -18.884
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -26.837
Dist. restrs. and SS energy: 2.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 836
Temperature: 0.974250
Total energy: -282.327530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.327530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.872928 (E_RNA)
where:
Base-Base interactions energy: -189.989
where: short stacking energy: -93.066
Base-Backbone interact. energy: -0.051
local terms energy: -94.833504
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -26.777
Dist. restrs. and SS energy: 2.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 837
Temperature: 0.973800
Total energy: -281.805031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.805031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.832845 (E_RNA)
where:
Base-Base interactions energy: -188.881
where: short stacking energy: -97.560
Base-Backbone interact. energy: -0.001
local terms energy: -95.951417
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -29.759
Dist. restrs. and SS energy: 3.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 838
Temperature: 0.973350
Total energy: -273.841623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.841623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.679198 (E_RNA)
where:
Base-Base interactions energy: -185.306
where: short stacking energy: -81.444
Base-Backbone interact. energy: -0.002
local terms energy: -93.370611
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 4.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 839
Temperature: 0.972900
Total energy: -287.126593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.126593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.828423 (E_RNA)
where:
Base-Base interactions energy: -199.928
where: short stacking energy: -90.573
Base-Backbone interact. energy: -0.479
local terms energy: -88.421647
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -27.156
Dist. restrs. and SS energy: 1.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 840
Temperature: 0.972450
Total energy: -289.264442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.264442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.103316 (E_RNA)
where:
Base-Base interactions energy: -201.243
where: short stacking energy: -90.269
Base-Backbone interact. energy: -0.003
local terms energy: -89.856842
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -27.273
Dist. restrs. and SS energy: 1.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 841
Temperature: 0.972000
Total energy: -292.491138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.491138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.113108 (E_RNA)
where:
Base-Base interactions energy: -203.291
where: short stacking energy: -82.582
Base-Backbone interact. energy: -0.025
local terms energy: -90.797084
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 1.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 842
Temperature: 0.971550
Total energy: -292.384763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.384763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.216767 (E_RNA)
where:
Base-Base interactions energy: -201.762
where: short stacking energy: -87.115
Base-Backbone interact. energy: -0.017
local terms energy: -92.438309
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -23.993
Dist. restrs. and SS energy: 1.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 843
Temperature: 0.971100
Total energy: -290.628963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.628963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.548096 (E_RNA)
where:
Base-Base interactions energy: -202.119
where: short stacking energy: -90.315
Base-Backbone interact. energy: -0.957
local terms energy: -89.472262
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -21.517
Dist. restrs. and SS energy: 1.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 844
Temperature: 0.970650
Total energy: -292.492336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.492336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.112018 (E_RNA)
where:
Base-Base interactions energy: -205.994
where: short stacking energy: -88.786
Base-Backbone interact. energy: -0.011
local terms energy: -88.106460
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -23.904
Dist. restrs. and SS energy: 1.620 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 845
Temperature: 0.970200
Total energy: -300.499338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.499338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.350049 (E_RNA)
where:
Base-Base interactions energy: -196.243
where: short stacking energy: -89.786
Base-Backbone interact. energy: -1.889
local terms energy: -104.218065
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: 1.851 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 846
Temperature: 0.969750
Total energy: -286.400655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.400655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.941406 (E_RNA)
where:
Base-Base interactions energy: -192.725
where: short stacking energy: -87.403
Base-Backbone interact. energy: -3.080
local terms energy: -92.137243
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -27.057
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 847
Temperature: 0.969300
Total energy: -285.698873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.698873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.790315 (E_RNA)
where:
Base-Base interactions energy: -192.229
where: short stacking energy: -87.469
Base-Backbone interact. energy: -0.094
local terms energy: -95.466866
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -26.280
Dist. restrs. and SS energy: 2.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 848
Temperature: 0.968850
Total energy: -274.149442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.149442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.748793 (E_RNA)
where:
Base-Base interactions energy: -186.851
where: short stacking energy: -81.661
Base-Backbone interact. energy: -0.040
local terms energy: -88.857637
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -24.532
Dist. restrs. and SS energy: 1.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 849
Temperature: 0.968400
Total energy: -282.873585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.873585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.365924 (E_RNA)
where:
Base-Base interactions energy: -195.357
where: short stacking energy: -86.455
Base-Backbone interact. energy: -0.316
local terms energy: -88.692866
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 1.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 850
Temperature: 0.967950
Total energy: -280.271658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.271658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.214505 (E_RNA)
where:
Base-Base interactions energy: -193.303
where: short stacking energy: -85.831
Base-Backbone interact. energy: -0.103
local terms energy: -88.808319
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 1.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 851
Temperature: 0.967500
Total energy: -280.072328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.072328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.957222 (E_RNA)
where:
Base-Base interactions energy: -192.034
where: short stacking energy: -92.994
Base-Backbone interact. energy: -0.305
local terms energy: -89.618650
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -26.696
Dist. restrs. and SS energy: 1.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 852
Temperature: 0.967050
Total energy: -295.886023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.886023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.989039 (E_RNA)
where:
Base-Base interactions energy: -194.898
where: short stacking energy: -97.941
Base-Backbone interact. energy: -0.004
local terms energy: -103.086146
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -27.706
Dist. restrs. and SS energy: 2.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 853
Temperature: 0.966600
Total energy: -298.149982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.149982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.640321 (E_RNA)
where:
Base-Base interactions energy: -201.563
where: short stacking energy: -95.742
Base-Backbone interact. energy: -0.002
local terms energy: -99.074694
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: 2.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 854
Temperature: 0.966150
Total energy: -287.934212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.934212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.971302 (E_RNA)
where:
Base-Base interactions energy: -199.777
where: short stacking energy: -96.114
Base-Backbone interact. energy: -0.602
local terms energy: -89.592926
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -14.909
tors. eta vs tors. theta energy: -25.122
Dist. restrs. and SS energy: 2.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 855
Temperature: 0.965700
Total energy: -288.919947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.919947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.507425 (E_RNA)
where:
Base-Base interactions energy: -197.768
where: short stacking energy: -92.207
Base-Backbone interact. energy: 0.200
local terms energy: -93.939025
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -27.081
Dist. restrs. and SS energy: 2.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 856
Temperature: 0.965250
Total energy: -284.520128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.520128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.109699 (E_RNA)
where:
Base-Base interactions energy: -194.132
where: short stacking energy: -94.131
Base-Backbone interact. energy: -0.582
local terms energy: -92.396268
where:
bonds (distance) C4'-P energy: -19.468
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 2.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 857
Temperature: 0.964800
Total energy: -277.492173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.492173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.361473 (E_RNA)
where:
Base-Base interactions energy: -184.480
where: short stacking energy: -93.209
Base-Backbone interact. energy: -0.891
local terms energy: -94.990726
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 2.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 858
Temperature: 0.964350
Total energy: -293.140375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.140375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.751486 (E_RNA)
where:
Base-Base interactions energy: -203.120
where: short stacking energy: -96.275
Base-Backbone interact. energy: -0.008
local terms energy: -92.623393
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 2.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 859
Temperature: 0.963900
Total energy: -288.693819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.693819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.006988 (E_RNA)
where:
Base-Base interactions energy: -193.351
where: short stacking energy: -94.516
Base-Backbone interact. energy: -0.001
local terms energy: -97.654890
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -21.177
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -16.599
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 2.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 860
Temperature: 0.963450
Total energy: -292.245005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.245005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.614289 (E_RNA)
where:
Base-Base interactions energy: -194.558
where: short stacking energy: -96.585
Base-Backbone interact. energy: -0.001
local terms energy: -100.055287
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -17.582
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 2.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 861
Temperature: 0.963000
Total energy: -293.748318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.748318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.053694 (E_RNA)
where:
Base-Base interactions energy: -196.453
where: short stacking energy: -96.594
Base-Backbone interact. energy: -0.005
local terms energy: -99.595934
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -20.721
flat angles C4'-P-C4' energy: -22.689
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 2.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 862
Temperature: 0.962550
Total energy: -285.175561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.175561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.869477 (E_RNA)
where:
Base-Base interactions energy: -195.031
where: short stacking energy: -95.623
Base-Backbone interact. energy: -0.396
local terms energy: -91.441861
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -24.999
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 863
Temperature: 0.962100
Total energy: -289.332142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.332142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.693338 (E_RNA)
where:
Base-Base interactions energy: -193.336
where: short stacking energy: -90.419
Base-Backbone interact. energy: -0.003
local terms energy: -98.354756
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -25.217
Dist. restrs. and SS energy: 2.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 864
Temperature: 0.961650
Total energy: -286.743893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.743893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.656537 (E_RNA)
where:
Base-Base interactions energy: -201.628
where: short stacking energy: -97.546
Base-Backbone interact. energy: -0.007
local terms energy: -87.020907
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 1.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 865
Temperature: 0.961200
Total energy: -283.642544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.642544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.058246 (E_RNA)
where:
Base-Base interactions energy: -186.290
where: short stacking energy: -88.954
Base-Backbone interact. energy: -0.241
local terms energy: -99.526991
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 2.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 866
Temperature: 0.960750
Total energy: -287.332058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.332058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.674470 (E_RNA)
where:
Base-Base interactions energy: -195.900
where: short stacking energy: -88.390
Base-Backbone interact. energy: -0.926
local terms energy: -92.849059
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -26.992
Dist. restrs. and SS energy: 2.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 867
Temperature: 0.960300
Total energy: -295.827073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.827073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.750379 (E_RNA)
where:
Base-Base interactions energy: -199.866
where: short stacking energy: -94.621
Base-Backbone interact. energy: 0.437
local terms energy: -98.321644
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -20.751
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 1.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 868
Temperature: 0.959850
Total energy: -293.370416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.370416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.469269 (E_RNA)
where:
Base-Base interactions energy: -193.453
where: short stacking energy: -89.584
Base-Backbone interact. energy: -0.697
local terms energy: -101.319566
where:
bonds (distance) C4'-P energy: -21.679
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -29.099
Dist. restrs. and SS energy: 2.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 869
Temperature: 0.959400
Total energy: -284.294817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.294817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.751280 (E_RNA)
where:
Base-Base interactions energy: -188.060
where: short stacking energy: -82.346
Base-Backbone interact. energy: -1.275
local terms energy: -97.416475
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -27.903
Dist. restrs. and SS energy: 2.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 870
Temperature: 0.958950
Total energy: -284.853153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.853153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.971790 (E_RNA)
where:
Base-Base interactions energy: -194.041
where: short stacking energy: -87.909
Base-Backbone interact. energy: -0.001
local terms energy: -92.930333
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 2.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 871
Temperature: 0.958500
Total energy: -293.007423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.007423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.445658 (E_RNA)
where:
Base-Base interactions energy: -202.451
where: short stacking energy: -91.966
Base-Backbone interact. energy: -0.136
local terms energy: -92.858141
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -19.910
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -26.110
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 872
Temperature: 0.958050
Total energy: -287.788518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.788518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.423630 (E_RNA)
where:
Base-Base interactions energy: -194.509
where: short stacking energy: -96.561
Base-Backbone interact. energy: -0.091
local terms energy: -95.823578
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -25.779
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 873
Temperature: 0.957600
Total energy: -293.300932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.300932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.784079 (E_RNA)
where:
Base-Base interactions energy: -197.885
where: short stacking energy: -90.221
Base-Backbone interact. energy: -0.081
local terms energy: -97.818269
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 2.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 874
Temperature: 0.957150
Total energy: -293.767710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.767710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.972239 (E_RNA)
where:
Base-Base interactions energy: -200.721
where: short stacking energy: -92.297
Base-Backbone interact. energy: -0.002
local terms energy: -95.248870
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -21.858
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 2.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 875
Temperature: 0.956700
Total energy: -291.586210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.586210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.715051 (E_RNA)
where:
Base-Base interactions energy: -197.705
where: short stacking energy: -90.773
Base-Backbone interact. energy: -0.002
local terms energy: -96.008008
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 2.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 876
Temperature: 0.956250
Total energy: -297.292947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.292947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.727684 (E_RNA)
where:
Base-Base interactions energy: -194.827
where: short stacking energy: -99.208
Base-Backbone interact. energy: -0.048
local terms energy: -104.852862
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -30.519
Dist. restrs. and SS energy: 2.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 877
Temperature: 0.955800
Total energy: -292.421962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.421962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.067238 (E_RNA)
where:
Base-Base interactions energy: -199.468
where: short stacking energy: -96.082
Base-Backbone interact. energy: -0.002
local terms energy: -95.596664
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -28.882
Dist. restrs. and SS energy: 2.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 878
Temperature: 0.955350
Total energy: -287.724623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.724623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.732113 (E_RNA)
where:
Base-Base interactions energy: -190.406
where: short stacking energy: -94.664
Base-Backbone interact. energy: -0.076
local terms energy: -100.250254
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -28.036
Dist. restrs. and SS energy: 3.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 879
Temperature: 0.954900
Total energy: -297.588735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.588735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.479805 (E_RNA)
where:
Base-Base interactions energy: -200.247
where: short stacking energy: -99.035
Base-Backbone interact. energy: -0.035
local terms energy: -100.197610
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -29.136
Dist. restrs. and SS energy: 2.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 880
Temperature: 0.954450
Total energy: -291.530518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.530518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.495503 (E_RNA)
where:
Base-Base interactions energy: -200.671
where: short stacking energy: -87.782
Base-Backbone interact. energy: -0.030
local terms energy: -92.794112
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 1.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 881
Temperature: 0.954000
Total energy: -292.301425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.301425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.272093 (E_RNA)
where:
Base-Base interactions energy: -195.455
where: short stacking energy: -97.132
Base-Backbone interact. energy: -0.434
local terms energy: -99.383337
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -30.854
Dist. restrs. and SS energy: 2.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 882
Temperature: 0.953550
Total energy: -273.671661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.671661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.121626 (E_RNA)
where:
Base-Base interactions energy: -177.129
where: short stacking energy: -80.754
Base-Backbone interact. energy: -0.052
local terms energy: -98.941221
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -26.812
Dist. restrs. and SS energy: 2.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 883
Temperature: 0.953100
Total energy: -276.246458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.246458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.550244 (E_RNA)
where:
Base-Base interactions energy: -185.818
where: short stacking energy: -89.093
Base-Backbone interact. energy: -1.051
local terms energy: -90.681274
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 1.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 884
Temperature: 0.952650
Total energy: -283.989778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.989778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.596131 (E_RNA)
where:
Base-Base interactions energy: -191.430
where: short stacking energy: -88.153
Base-Backbone interact. energy: -2.768
local terms energy: -91.398375
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -27.461
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 885
Temperature: 0.952200
Total energy: -282.068251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.068251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.933911 (E_RNA)
where:
Base-Base interactions energy: -192.863
where: short stacking energy: -89.204
Base-Backbone interact. energy: -2.958
local terms energy: -88.113250
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -25.488
Dist. restrs. and SS energy: 1.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 886
Temperature: 0.951750
Total energy: -290.173289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.173289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.508340 (E_RNA)
where:
Base-Base interactions energy: -196.293
where: short stacking energy: -89.711
Base-Backbone interact. energy: -2.361
local terms energy: -92.855052
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -26.244
Dist. restrs. and SS energy: 1.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 887
Temperature: 0.951300
Total energy: -290.105902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.105902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.402141 (E_RNA)
where:
Base-Base interactions energy: -190.269
where: short stacking energy: -81.804
Base-Backbone interact. energy: -2.108
local terms energy: -100.024868
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -25.433
Dist. restrs. and SS energy: 2.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 888
Temperature: 0.950850
Total energy: -280.698220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.698220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.173220 (E_RNA)
where:
Base-Base interactions energy: -190.278
where: short stacking energy: -92.017
Base-Backbone interact. energy: -1.688
local terms energy: -90.207065
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 1.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 889
Temperature: 0.950400
Total energy: -280.808480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.808480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.239552 (E_RNA)
where:
Base-Base interactions energy: -189.854
where: short stacking energy: -86.058
Base-Backbone interact. energy: -2.464
local terms energy: -89.921667
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -25.197
Dist. restrs. and SS energy: 1.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 890
Temperature: 0.949950
Total energy: -287.939062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.939062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.317559 (E_RNA)
where:
Base-Base interactions energy: -196.317
where: short stacking energy: -95.305
Base-Backbone interact. energy: 0.706
local terms energy: -93.707159
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 1.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 891
Temperature: 0.949500
Total energy: -280.468134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.468134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.371618 (E_RNA)
where:
Base-Base interactions energy: -192.304
where: short stacking energy: -84.778
Base-Backbone interact. energy: -1.295
local terms energy: -89.772897
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 2.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 892
Temperature: 0.949050
Total energy: -280.995346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.995346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.307476 (E_RNA)
where:
Base-Base interactions energy: -187.044
where: short stacking energy: -82.186
Base-Backbone interact. energy: -2.221
local terms energy: -93.042804
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -27.342
Dist. restrs. and SS energy: 1.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 893
Temperature: 0.948600
Total energy: -276.701728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.701728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.130267 (E_RNA)
where:
Base-Base interactions energy: -190.120
where: short stacking energy: -81.518
Base-Backbone interact. energy: -2.459
local terms energy: -85.551565
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 1.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 894
Temperature: 0.948150
Total energy: -285.529372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.529372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.086034 (E_RNA)
where:
Base-Base interactions energy: -196.128
where: short stacking energy: -94.014
Base-Backbone interact. energy: -1.576
local terms energy: -89.382572
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -25.945
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 895
Temperature: 0.947700
Total energy: -289.469880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.469880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.099023 (E_RNA)
where:
Base-Base interactions energy: -200.253
where: short stacking energy: -99.236
Base-Backbone interact. energy: -3.535
local terms energy: -87.311579
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: 1.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 896
Temperature: 0.947250
Total energy: -304.334191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.334191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.975094 (E_RNA)
where:
Base-Base interactions energy: -202.690
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.698
local terms energy: -102.587343
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -22.885
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 1.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 897
Temperature: 0.946800
Total energy: -290.618339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.618339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.954488 (E_RNA)
where:
Base-Base interactions energy: -193.019
where: short stacking energy: -91.919
Base-Backbone interact. energy: -1.109
local terms energy: -97.826876
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -26.964
Dist. restrs. and SS energy: 1.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 898
Temperature: 0.946350
Total energy: -285.918607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.918607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.389238 (E_RNA)
where:
Base-Base interactions energy: -194.057
where: short stacking energy: -92.811
Base-Backbone interact. energy: -0.011
local terms energy: -94.321309
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -25.920
Dist. restrs. and SS energy: 2.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 899
Temperature: 0.945900
Total energy: -278.112106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.112106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.929568 (E_RNA)
where:
Base-Base interactions energy: -185.943
where: short stacking energy: -92.254
Base-Backbone interact. energy: -1.772
local terms energy: -93.214336
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 2.817 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 900
Temperature: 0.945450
Total energy: -297.249114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.249114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.279930 (E_RNA)
where:
Base-Base interactions energy: -202.033
where: short stacking energy: -99.605
Base-Backbone interact. energy: -0.639
local terms energy: -96.608110
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: -28.878
Dist. restrs. and SS energy: 2.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 901
Temperature: 0.945000
Total energy: -299.623111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.623111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.648062 (E_RNA)
where:
Base-Base interactions energy: -206.436
where: short stacking energy: -102.572
Base-Backbone interact. energy: -0.001
local terms energy: -95.211287
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -29.955
Dist. restrs. and SS energy: 2.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 902
Temperature: 0.944550
Total energy: -296.383237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.383237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.535781 (E_RNA)
where:
Base-Base interactions energy: -202.322
where: short stacking energy: -99.757
Base-Backbone interact. energy: -0.136
local terms energy: -96.077705
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -27.769
Dist. restrs. and SS energy: 2.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 903
Temperature: 0.944100
Total energy: -302.228444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.228444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.918787 (E_RNA)
where:
Base-Base interactions energy: -204.664
where: short stacking energy: -98.219
Base-Backbone interact. energy: -0.006
local terms energy: -100.248564
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -22.779
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 2.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 904
Temperature: 0.943650
Total energy: -294.370489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.370489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.037036 (E_RNA)
where:
Base-Base interactions energy: -198.835
where: short stacking energy: -98.446
Base-Backbone interact. energy: -0.073
local terms energy: -98.128557
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 2.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 905
Temperature: 0.943200
Total energy: -291.012264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.012264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.534022 (E_RNA)
where:
Base-Base interactions energy: -198.078
where: short stacking energy: -94.819
Base-Backbone interact. energy: -0.226
local terms energy: -95.229720
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 2.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 906
Temperature: 0.942750
Total energy: -288.677146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.677146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.630429 (E_RNA)
where:
Base-Base interactions energy: -198.777
where: short stacking energy: -96.385
Base-Backbone interact. energy: -0.237
local terms energy: -92.616788
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 2.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 907
Temperature: 0.942300
Total energy: -284.773344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.773344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.585719 (E_RNA)
where:
Base-Base interactions energy: -191.194
where: short stacking energy: -93.779
Base-Backbone interact. energy: -0.024
local terms energy: -96.368046
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: 2.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 908
Temperature: 0.941850
Total energy: -292.586771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.586771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.260656 (E_RNA)
where:
Base-Base interactions energy: -197.817
where: short stacking energy: -93.713
Base-Backbone interact. energy: 0.346
local terms energy: -97.789896
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -26.682
Dist. restrs. and SS energy: 2.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 909
Temperature: 0.941400
Total energy: -281.047550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.047550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.695367 (E_RNA)
where:
Base-Base interactions energy: -187.265
where: short stacking energy: -94.993
Base-Backbone interact. energy: -0.048
local terms energy: -96.382353
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 2.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 910
Temperature: 0.940950
Total energy: -285.205783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.205783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.585955 (E_RNA)
where:
Base-Base interactions energy: -200.035
where: short stacking energy: -100.154
Base-Backbone interact. energy: -0.042
local terms energy: -87.508527
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: 2.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 911
Temperature: 0.940500
Total energy: -289.378108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.378108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.640580 (E_RNA)
where:
Base-Base interactions energy: -192.635
where: short stacking energy: -91.418
Base-Backbone interact. energy: -0.021
local terms energy: -98.983928
where:
bonds (distance) C4'-P energy: -21.878
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -27.557
Dist. restrs. and SS energy: 2.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 912
Temperature: 0.940050
Total energy: -297.264681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.264681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.558977 (E_RNA)
where:
Base-Base interactions energy: -202.709
where: short stacking energy: -92.584
Base-Backbone interact. energy: -1.377
local terms energy: -95.473372
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -27.053
Dist. restrs. and SS energy: 2.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 913
Temperature: 0.939600
Total energy: -285.642210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.642210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.737315 (E_RNA)
where:
Base-Base interactions energy: -191.316
where: short stacking energy: -89.050
Base-Backbone interact. energy: -0.010
local terms energy: -97.411416
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 3.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 914
Temperature: 0.939150
Total energy: -277.639573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.639573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.735620 (E_RNA)
where:
Base-Base interactions energy: -181.771
where: short stacking energy: -87.900
Base-Backbone interact. energy: -0.094
local terms energy: -97.870823
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -29.547
Dist. restrs. and SS energy: 2.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 915
Temperature: 0.938700
Total energy: -299.108636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.108636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.469949 (E_RNA)
where:
Base-Base interactions energy: -196.248
where: short stacking energy: -94.540
Base-Backbone interact. energy: -0.033
local terms energy: -106.188314
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -27.643
Dist. restrs. and SS energy: 3.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 916
Temperature: 0.938250
Total energy: -291.177547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.177547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.227766 (E_RNA)
where:
Base-Base interactions energy: -193.468
where: short stacking energy: -93.420
Base-Backbone interact. energy: -0.668
local terms energy: -99.092754
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -27.083
Dist. restrs. and SS energy: 2.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 917
Temperature: 0.937800
Total energy: -284.375797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.375797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.875132 (E_RNA)
where:
Base-Base interactions energy: -196.922
where: short stacking energy: -88.299
Base-Backbone interact. energy: -0.007
local terms energy: -88.946308
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -27.591
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 918
Temperature: 0.937350
Total energy: -289.060000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.060000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.541798 (E_RNA)
where:
Base-Base interactions energy: -201.514
where: short stacking energy: -91.890
Base-Backbone interact. energy: -0.007
local terms energy: -89.020446
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 1.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 919
Temperature: 0.936900
Total energy: -289.222043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.222043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.058846 (E_RNA)
where:
Base-Base interactions energy: -193.186
where: short stacking energy: -86.960
Base-Backbone interact. energy: -1.316
local terms energy: -96.556555
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 1.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 920
Temperature: 0.936450
Total energy: -271.405947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.405947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.118192 (E_RNA)
where:
Base-Base interactions energy: -190.682
where: short stacking energy: -87.414
Base-Backbone interact. energy: -0.015
local terms energy: -83.420332
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -21.810
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 2.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 921
Temperature: 0.936000
Total energy: -279.885600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.885600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.229379 (E_RNA)
where:
Base-Base interactions energy: -183.970
where: short stacking energy: -90.132
Base-Backbone interact. energy: -0.651
local terms energy: -97.609152
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -27.092
Dist. restrs. and SS energy: 2.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 922
Temperature: 0.935550
Total energy: -285.086200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.086200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.620189 (E_RNA)
where:
Base-Base interactions energy: -191.658
where: short stacking energy: -92.028
Base-Backbone interact. energy: -0.167
local terms energy: -95.794427
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -26.789
Dist. restrs. and SS energy: 2.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 923
Temperature: 0.935100
Total energy: -289.919341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.919341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.126510 (E_RNA)
where:
Base-Base interactions energy: -195.089
where: short stacking energy: -92.075
Base-Backbone interact. energy: -0.004
local terms energy: -97.033571
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -29.156
Dist. restrs. and SS energy: 2.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 924
Temperature: 0.934650
Total energy: -293.968156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.968156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.092566 (E_RNA)
where:
Base-Base interactions energy: -199.495
where: short stacking energy: -93.440
Base-Backbone interact. energy: -0.004
local terms energy: -96.593869
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -28.615
Dist. restrs. and SS energy: 2.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 925
Temperature: 0.934200
Total energy: -296.773561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.773561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.242148 (E_RNA)
where:
Base-Base interactions energy: -201.685
where: short stacking energy: -90.703
Base-Backbone interact. energy: -0.001
local terms energy: -97.556123
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -21.500
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -24.820
Dist. restrs. and SS energy: 2.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 926
Temperature: 0.933750
Total energy: -290.335649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.335649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.374535 (E_RNA)
where:
Base-Base interactions energy: -194.101
where: short stacking energy: -93.915
Base-Backbone interact. energy: -0.067
local terms energy: -98.206697
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -29.153
Dist. restrs. and SS energy: 2.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 927
Temperature: 0.933300
Total energy: -274.028120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.028120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.774512 (E_RNA)
where:
Base-Base interactions energy: -183.190
where: short stacking energy: -83.932
Base-Backbone interact. energy: -0.000
local terms energy: -92.584550
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -23.009
Dist. restrs. and SS energy: 1.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 928
Temperature: 0.932850
Total energy: -294.394392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.394392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.668726 (E_RNA)
where:
Base-Base interactions energy: -200.960
where: short stacking energy: -94.677
Base-Backbone interact. energy: -0.094
local terms energy: -95.614870
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -28.685
Dist. restrs. and SS energy: 2.274 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 929
Temperature: 0.932400
Total energy: -295.776600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.776600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.023513 (E_RNA)
where:
Base-Base interactions energy: -198.866
where: short stacking energy: -98.689
Base-Backbone interact. energy: -1.047
local terms energy: -98.110403
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.095
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -28.704
Dist. restrs. and SS energy: 2.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 930
Temperature: 0.931950
Total energy: -285.643999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.643999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.901705 (E_RNA)
where:
Base-Base interactions energy: -193.384
where: short stacking energy: -99.563
Base-Backbone interact. energy: -0.006
local terms energy: -94.512308
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -28.314
Dist. restrs. and SS energy: 2.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 931
Temperature: 0.931500
Total energy: -292.130643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.130643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.465457 (E_RNA)
where:
Base-Base interactions energy: -196.859
where: short stacking energy: -97.964
Base-Backbone interact. energy: 1.256
local terms energy: -98.862339
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 932
Temperature: 0.931050
Total energy: -291.829153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.829153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.299734 (E_RNA)
where:
Base-Base interactions energy: -197.760
where: short stacking energy: -98.787
Base-Backbone interact. energy: 1.336
local terms energy: -97.875729
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -28.146
Dist. restrs. and SS energy: 2.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 933
Temperature: 0.930600
Total energy: -288.803520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.803520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.092064 (E_RNA)
where:
Base-Base interactions energy: -190.494
where: short stacking energy: -93.846
Base-Backbone interact. energy: -0.000
local terms energy: -100.597741
where:
bonds (distance) C4'-P energy: -19.907
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -27.447
Dist. restrs. and SS energy: 2.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 934
Temperature: 0.930150
Total energy: -281.302004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.302004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.399665 (E_RNA)
where:
Base-Base interactions energy: -187.720
where: short stacking energy: -86.429
Base-Backbone interact. energy: 0.155
local terms energy: -95.834731
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -27.074
Dist. restrs. and SS energy: 2.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 935
Temperature: 0.929700
Total energy: -285.885254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.885254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.963531 (E_RNA)
where:
Base-Base interactions energy: -189.621
where: short stacking energy: -88.985
Base-Backbone interact. energy: -0.090
local terms energy: -98.252429
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -27.930
Dist. restrs. and SS energy: 2.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 936
Temperature: 0.929250
Total energy: -293.322884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.322884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.233226 (E_RNA)
where:
Base-Base interactions energy: -196.410
where: short stacking energy: -99.871
Base-Backbone interact. energy: -0.004
local terms energy: -98.819594
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -29.205
Dist. restrs. and SS energy: 1.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 937
Temperature: 0.928800
Total energy: -287.528987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.528987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.674958 (E_RNA)
where:
Base-Base interactions energy: -191.213
where: short stacking energy: -84.660
Base-Backbone interact. energy: -0.663
local terms energy: -97.798875
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 2.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 938
Temperature: 0.928350
Total energy: -296.872111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.872111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.933583 (E_RNA)
where:
Base-Base interactions energy: -204.271
where: short stacking energy: -96.509
Base-Backbone interact. energy: -0.004
local terms energy: -94.658406
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -28.234
Dist. restrs. and SS energy: 2.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 939
Temperature: 0.927900
Total energy: -286.077696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.077696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.712300 (E_RNA)
where:
Base-Base interactions energy: -193.000
where: short stacking energy: -98.509
Base-Backbone interact. energy: -0.049
local terms energy: -95.663260
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -27.563
Dist. restrs. and SS energy: 2.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 940
Temperature: 0.927450
Total energy: -293.864506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.864506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.266907 (E_RNA)
where:
Base-Base interactions energy: -195.784
where: short stacking energy: -99.171
Base-Backbone interact. energy: -0.003
local terms energy: -100.480423
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -28.665
Dist. restrs. and SS energy: 2.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 941
Temperature: 0.927000
Total energy: -288.657139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.657139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.986668 (E_RNA)
where:
Base-Base interactions energy: -190.766
where: short stacking energy: -96.739
Base-Backbone interact. energy: -0.640
local terms energy: -99.580825
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -30.048
Dist. restrs. and SS energy: 2.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 942
Temperature: 0.926550
Total energy: -290.643949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.643949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.727427 (E_RNA)
where:
Base-Base interactions energy: -188.444
where: short stacking energy: -91.532
Base-Backbone interact. energy: -0.874
local terms energy: -103.409815
where:
bonds (distance) C4'-P energy: -17.863
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -28.810
Dist. restrs. and SS energy: 2.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 943
Temperature: 0.926100
Total energy: -295.625430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.625430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.648365 (E_RNA)
where:
Base-Base interactions energy: -200.091
where: short stacking energy: -100.770
Base-Backbone interact. energy: -0.124
local terms energy: -97.432961
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -29.088
Dist. restrs. and SS energy: 2.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 944
Temperature: 0.925650
Total energy: -300.718526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.718526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.543757 (E_RNA)
where:
Base-Base interactions energy: -208.272
where: short stacking energy: -97.675
Base-Backbone interact. energy: -0.413
local terms energy: -94.859733
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -30.630
Dist. restrs. and SS energy: 2.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 945
Temperature: 0.925200
Total energy: -301.604686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.604686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.646759 (E_RNA)
where:
Base-Base interactions energy: -206.373
where: short stacking energy: -100.941
Base-Backbone interact. energy: -0.000
local terms energy: -98.273433
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -21.802
flat angles C4'-P-C4' energy: -20.556
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -29.133
Dist. restrs. and SS energy: 3.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 946
Temperature: 0.924750
Total energy: -296.921478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.921478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.325676 (E_RNA)
where:
Base-Base interactions energy: -203.219
where: short stacking energy: -91.277
Base-Backbone interact. energy: -0.450
local terms energy: -95.656852
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -26.045
Dist. restrs. and SS energy: 2.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 947
Temperature: 0.924300
Total energy: -288.681881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.681881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.093542 (E_RNA)
where:
Base-Base interactions energy: -191.357
where: short stacking energy: -94.335
Base-Backbone interact. energy: -1.679
local terms energy: -98.058516
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -27.329
Dist. restrs. and SS energy: 2.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 948
Temperature: 0.923850
Total energy: -285.994342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.994342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.749236 (E_RNA)
where:
Base-Base interactions energy: -196.177
where: short stacking energy: -91.721
Base-Backbone interact. energy: 0.847
local terms energy: -93.419742
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 2.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 949
Temperature: 0.923400
Total energy: -289.796058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.796058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.959928 (E_RNA)
where:
Base-Base interactions energy: -196.890
where: short stacking energy: -90.315
Base-Backbone interact. energy: -0.371
local terms energy: -94.698412
where:
bonds (distance) C4'-P energy: -18.550
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -28.676
Dist. restrs. and SS energy: 2.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 950
Temperature: 0.922950
Total energy: -291.304267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.304267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.359047 (E_RNA)
where:
Base-Base interactions energy: -195.691
where: short stacking energy: -93.831
Base-Backbone interact. energy: -0.047
local terms energy: -97.621347
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -15.163
tors. eta vs tors. theta energy: -26.512
Dist. restrs. and SS energy: 2.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 951
Temperature: 0.922500
Total energy: -296.189006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.189006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.359735 (E_RNA)
where:
Base-Base interactions energy: -198.301
where: short stacking energy: -102.518
Base-Backbone interact. energy: -0.003
local terms energy: -100.055504
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -29.901
Dist. restrs. and SS energy: 2.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 952
Temperature: 0.922050
Total energy: -289.967663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.967663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.011856 (E_RNA)
where:
Base-Base interactions energy: -196.840
where: short stacking energy: -98.120
Base-Backbone interact. energy: -0.022
local terms energy: -95.149426
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 2.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 953
Temperature: 0.921600
Total energy: -290.722113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.722113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.373774 (E_RNA)
where:
Base-Base interactions energy: -190.064
where: short stacking energy: -93.474
Base-Backbone interact. energy: -0.002
local terms energy: -102.307488
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -27.501
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 954
Temperature: 0.921150
Total energy: -293.385497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.385497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.330544 (E_RNA)
where:
Base-Base interactions energy: -197.654
where: short stacking energy: -98.451
Base-Backbone interact. energy: -0.387
local terms energy: -97.290186
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -23.104
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -27.208
Dist. restrs. and SS energy: 1.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 955
Temperature: 0.920700
Total energy: -300.172139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.172139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.043287 (E_RNA)
where:
Base-Base interactions energy: -196.435
where: short stacking energy: -92.172
Base-Backbone interact. energy: -0.005
local terms energy: -105.602751
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 956
Temperature: 0.920250
Total energy: -282.133858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.133858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.977947 (E_RNA)
where:
Base-Base interactions energy: -189.009
where: short stacking energy: -92.475
Base-Backbone interact. energy: -0.013
local terms energy: -94.956083
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -26.786
Dist. restrs. and SS energy: 1.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 957
Temperature: 0.919800
Total energy: -285.008389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.008389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.035803 (E_RNA)
where:
Base-Base interactions energy: -192.408
where: short stacking energy: -82.723
Base-Backbone interact. energy: -1.612
local terms energy: -92.016377
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -25.221
Dist. restrs. and SS energy: 1.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 958
Temperature: 0.919350
Total energy: -286.621625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.621625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.873401 (E_RNA)
where:
Base-Base interactions energy: -193.623
where: short stacking energy: -88.854
Base-Backbone interact. energy: -0.009
local terms energy: -95.241299
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -27.058
Dist. restrs. and SS energy: 2.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 959
Temperature: 0.918900
Total energy: -280.206847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.206847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.279441 (E_RNA)
where:
Base-Base interactions energy: -183.268
where: short stacking energy: -88.729
Base-Backbone interact. energy: 0.672
local terms energy: -98.683420
where:
bonds (distance) C4'-P energy: -21.513
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -28.812
Dist. restrs. and SS energy: 1.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 960
Temperature: 0.918450
Total energy: -277.605263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.605263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.849542 (E_RNA)
where:
Base-Base interactions energy: -183.101
where: short stacking energy: -90.107
Base-Backbone interact. energy: -0.836
local terms energy: -94.912487
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -25.917
Dist. restrs. and SS energy: 1.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 961
Temperature: 0.918000
Total energy: -272.689755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.689755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.696913 (E_RNA)
where:
Base-Base interactions energy: -183.998
where: short stacking energy: -79.694
Base-Backbone interact. energy: -0.154
local terms energy: -89.545140
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 1.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 962
Temperature: 0.917550
Total energy: -270.689632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.689632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.995478 (E_RNA)
where:
Base-Base interactions energy: -187.221
where: short stacking energy: -78.636
Base-Backbone interact. energy: -0.296
local terms energy: -84.478615
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 1.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 963
Temperature: 0.917100
Total energy: -269.734186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.734186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.111011 (E_RNA)
where:
Base-Base interactions energy: -180.150
where: short stacking energy: -86.675
Base-Backbone interact. energy: -0.612
local terms energy: -90.349500
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -19.768
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 1.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 964
Temperature: 0.916650
Total energy: -274.267452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.267452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.378297 (E_RNA)
where:
Base-Base interactions energy: -189.359
where: short stacking energy: -86.844
Base-Backbone interact. energy: -0.057
local terms energy: -87.962558
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 3.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 965
Temperature: 0.916200
Total energy: -273.181367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.181367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.464000 (E_RNA)
where:
Base-Base interactions energy: -180.663
where: short stacking energy: -82.916
Base-Backbone interact. energy: -0.442
local terms energy: -93.358112
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 1.283 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 966
Temperature: 0.915750
Total energy: -265.426711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.426711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.837598 (E_RNA)
where:
Base-Base interactions energy: -172.754
where: short stacking energy: -85.739
Base-Backbone interact. energy: -0.046
local terms energy: -95.037403
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 2.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 967
Temperature: 0.915300
Total energy: -264.759959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.759959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.198897 (E_RNA)
where:
Base-Base interactions energy: -181.914
where: short stacking energy: -87.604
Base-Backbone interact. energy: -0.016
local terms energy: -85.268887
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 2.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 968
Temperature: 0.914850
Total energy: -259.035755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.035755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.759537 (E_RNA)
where:
Base-Base interactions energy: -177.921
where: short stacking energy: -88.950
Base-Backbone interact. energy: -0.813
local terms energy: -82.025681
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -8.168
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 1.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 969
Temperature: 0.914400
Total energy: -264.980942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.980942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.981773 (E_RNA)
where:
Base-Base interactions energy: -178.720
where: short stacking energy: -84.878
Base-Backbone interact. energy: -0.266
local terms energy: -86.995251
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 1.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 970
Temperature: 0.913950
Total energy: -268.972292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.972292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.603039 (E_RNA)
where:
Base-Base interactions energy: -177.274
where: short stacking energy: -87.538
Base-Backbone interact. energy: -0.492
local terms energy: -92.837005
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -22.009
Dist. restrs. and SS energy: 1.631 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 971
Temperature: 0.913500
Total energy: -263.625400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.625400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.780078 (E_RNA)
where:
Base-Base interactions energy: -177.106
where: short stacking energy: -81.417
Base-Backbone interact. energy: -0.366
local terms energy: -87.307911
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -19.061
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 1.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 972
Temperature: 0.913050
Total energy: -256.675867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.675867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.574834 (E_RNA)
where:
Base-Base interactions energy: -170.304
where: short stacking energy: -76.555
Base-Backbone interact. energy: -1.550
local terms energy: -86.721105
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 1.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 973
Temperature: 0.912600
Total energy: -262.317648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.317648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.349584 (E_RNA)
where:
Base-Base interactions energy: -179.456
where: short stacking energy: -92.773
Base-Backbone interact. energy: -0.051
local terms energy: -83.842663
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -22.880
Dist. restrs. and SS energy: 1.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 974
Temperature: 0.912150
Total energy: -258.886180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.886180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.281218 (E_RNA)
where:
Base-Base interactions energy: -164.074
where: short stacking energy: -78.963
Base-Backbone interact. energy: -0.240
local terms energy: -95.967898
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -25.593
Dist. restrs. and SS energy: 1.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 975
Temperature: 0.911700
Total energy: -262.581637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.581637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.165530 (E_RNA)
where:
Base-Base interactions energy: -165.994
where: short stacking energy: -80.896
Base-Backbone interact. energy: -0.006
local terms energy: -98.165558
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -27.138
Dist. restrs. and SS energy: 1.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 976
Temperature: 0.911250
Total energy: -273.442190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.442190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.483867 (E_RNA)
where:
Base-Base interactions energy: -176.884
where: short stacking energy: -88.828
Base-Backbone interact. energy: -0.951
local terms energy: -97.648539
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -26.798
Dist. restrs. and SS energy: 2.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 977
Temperature: 0.910800
Total energy: -272.868199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.868199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.265067 (E_RNA)
where:
Base-Base interactions energy: -182.863
where: short stacking energy: -94.156
Base-Backbone interact. energy: -0.721
local terms energy: -90.681043
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -21.827
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -26.259
Dist. restrs. and SS energy: 1.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 978
Temperature: 0.910350
Total energy: -272.620208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.620208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.365426 (E_RNA)
where:
Base-Base interactions energy: -186.125
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.410
local terms energy: -86.830277
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -26.456
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 979
Temperature: 0.909900
Total energy: -279.091601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.091601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.868191 (E_RNA)
where:
Base-Base interactions energy: -180.201
where: short stacking energy: -84.592
Base-Backbone interact. energy: -1.265
local terms energy: -99.402308
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -20.586
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 980
Temperature: 0.909450
Total energy: -273.722797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.722797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.608545 (E_RNA)
where:
Base-Base interactions energy: -179.456
where: short stacking energy: -77.904
Base-Backbone interact. energy: -0.784
local terms energy: -94.368195
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -25.891
Dist. restrs. and SS energy: 0.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 981
Temperature: 0.909000
Total energy: -276.868644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.868644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.670796 (E_RNA)
where:
Base-Base interactions energy: -179.017
where: short stacking energy: -81.067
Base-Backbone interact. energy: -2.489
local terms energy: -97.164636
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: 1.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 982
Temperature: 0.908550
Total energy: -269.094815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.094815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.959161 (E_RNA)
where:
Base-Base interactions energy: -178.957
where: short stacking energy: -84.017
Base-Backbone interact. energy: -0.291
local terms energy: -91.711433
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -19.786
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 1.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 983
Temperature: 0.908100
Total energy: -256.656037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.656037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.646355 (E_RNA)
where:
Base-Base interactions energy: -176.532
where: short stacking energy: -72.536
Base-Backbone interact. energy: -0.757
local terms energy: -80.357645
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -21.700
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 984
Temperature: 0.907650
Total energy: -263.600324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.600324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.144867 (E_RNA)
where:
Base-Base interactions energy: -183.411
where: short stacking energy: -77.520
Base-Backbone interact. energy: 2.073
local terms energy: -83.806675
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 1.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 985
Temperature: 0.907200
Total energy: -273.636224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.636224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.629380 (E_RNA)
where:
Base-Base interactions energy: -191.068
where: short stacking energy: -78.973
Base-Backbone interact. energy: -0.525
local terms energy: -83.036296
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 986
Temperature: 0.906750
Total energy: -275.875451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.875451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.675039 (E_RNA)
where:
Base-Base interactions energy: -187.190
where: short stacking energy: -84.736
Base-Backbone interact. energy: -1.668
local terms energy: -88.816925
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 1.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 987
Temperature: 0.906300
Total energy: -270.504796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.504796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.935828 (E_RNA)
where:
Base-Base interactions energy: -190.285
where: short stacking energy: -81.160
Base-Backbone interact. energy: -0.551
local terms energy: -81.100196
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 1.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 988
Temperature: 0.905850
Total energy: -275.551160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.551160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.016219 (E_RNA)
where:
Base-Base interactions energy: -194.392
where: short stacking energy: -88.594
Base-Backbone interact. energy: -0.007
local terms energy: -82.617478
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 1.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 989
Temperature: 0.905400
Total energy: -269.947104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.947104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.333776 (E_RNA)
where:
Base-Base interactions energy: -189.575
where: short stacking energy: -88.223
Base-Backbone interact. energy: -1.515
local terms energy: -80.244582
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 990
Temperature: 0.904950
Total energy: -275.111839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.111839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.152638 (E_RNA)
where:
Base-Base interactions energy: -186.706
where: short stacking energy: -92.255
Base-Backbone interact. energy: -0.571
local terms energy: -89.876094
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -17.937
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -24.533
Dist. restrs. and SS energy: 2.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 991
Temperature: 0.904500
Total energy: -267.751307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.751307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.525282 (E_RNA)
where:
Base-Base interactions energy: -173.717
where: short stacking energy: -77.660
Base-Backbone interact. energy: -0.590
local terms energy: -95.217988
where:
bonds (distance) C4'-P energy: -21.654
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 992
Temperature: 0.904050
Total energy: -267.602083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.602083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.473327 (E_RNA)
where:
Base-Base interactions energy: -181.116
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.020
local terms energy: -88.336943
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 993
Temperature: 0.903600
Total energy: -259.436423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.436423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.108460 (E_RNA)
where:
Base-Base interactions energy: -176.139
where: short stacking energy: -67.297
Base-Backbone interact. energy: -0.076
local terms energy: -84.893464
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 1.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 994
Temperature: 0.903150
Total energy: -257.076235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.076235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.607159 (E_RNA)
where:
Base-Base interactions energy: -175.433
where: short stacking energy: -80.173
Base-Backbone interact. energy: -0.192
local terms energy: -84.981691
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 3.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 995
Temperature: 0.902700
Total energy: -277.718609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.718609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.678376 (E_RNA)
where:
Base-Base interactions energy: -179.242
where: short stacking energy: -79.492
Base-Backbone interact. energy: -2.518
local terms energy: -97.918994
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 1.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 996
Temperature: 0.902250
Total energy: -287.119488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.119488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.860529 (E_RNA)
where:
Base-Base interactions energy: -202.268
where: short stacking energy: -86.914
Base-Backbone interact. energy: -0.089
local terms energy: -87.503544
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 2.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 997
Temperature: 0.901800
Total energy: -281.601783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.601783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.929749 (E_RNA)
where:
Base-Base interactions energy: -201.441
where: short stacking energy: -82.997
Base-Backbone interact. energy: -0.024
local terms energy: -83.463873
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 3.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 998
Temperature: 0.901350
Total energy: -276.039492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.039492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.962401 (E_RNA)
where:
Base-Base interactions energy: -186.737
where: short stacking energy: -84.441
Base-Backbone interact. energy: -0.162
local terms energy: -92.063682
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 2.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 999
Temperature: 0.900900
Total energy: -280.752045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.752045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.662832 (E_RNA)
where:
Base-Base interactions energy: -189.243
where: short stacking energy: -84.302
Base-Backbone interact. energy: -0.459
local terms energy: -92.960600
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 1.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 1000
Temperature: 0.900450
Total energy: -280.419999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.419999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.757065 (E_RNA)
where:
Base-Base interactions energy: -191.202
where: short stacking energy: -87.354
Base-Backbone interact. energy: -0.131
local terms energy: -90.423697
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 1.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
=====================================
Write number: 1001
Temperature: 0.900000
Total energy: -280.407867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.407867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.959350 (E_RNA)
where:
Base-Base interactions energy: -196.212
where: short stacking energy: -84.769
Base-Backbone interact. energy: -0.129
local terms energy: -85.618305
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -22.182
Dist. restrs. and SS energy: 1.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
.writing output
current total energy: -266.653776
recalc. total energy: -265.711682
numberOfNucleotides: 27
initial temperature kT: 1.350000
moves confirmed at first: 2980114
moves confirmed later: 3128833
all moves confirmed: 6108947
percent of confirmed moves: 3.818092
nucl1: 0, chain1: A, <---> nucl2: 26, chain2: A type of interaction: GC_WWc
nucl1: 1, chain1: A, <---> nucl2: 25, chain2: A type of interaction: CG_WWc
nucl1: 2, chain1: A, <---> nucl2: 24, chain2: A type of interaction: CG_WWc
nucl1: 8, chain1: A, <---> nucl2: 19, chain2: A type of interaction: GC_WWc
nucl1: 9, chain1: A, <---> nucl2: 18, chain2: A type of interaction: UG_WWc
nucl1: 10, chain1: A, <---> nucl2: 17, chain2: A type of interaction: GC_WWc
nucl1: 3, chain1: A, <---> nucl2: 23, chain2: A type of interaction: GA_SHt
nucl1: 4, chain1: A, <---> nucl2: 22, chain2: A type of interaction: AA_HHt
nucl1: 5, chain1: A, <---> nucl2: 6, chain2: A type of interaction: GU_SHc
nucl1: 6, chain1: A, <---> nucl2: 21, chain2: A type of interaction: UA_WHt
nucl1: 7, chain1: A, <---> nucl2: 20, chain2: A type of interaction: AG_HSt
nucl1: 11, chain1: A, <---> nucl2: 15, chain2: A type of interaction: UG_WWt
Stiffness is set
Stiffness is set
Stiffness is set
Stiffness is set
Stiffness is set
Stiffness is set
Time of doing 1600000 iterations: 369.993 seconds
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Naeim @ IIMCB Genesilico group | magnus @ Harvard
Naeim @ IIMCB Genesilico group | magnus @ Harvard