SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Snord17-c8d1ea5b/inputs/seq.fa: 1
curr_seq: _GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUGAAAUGAUGAUUCUGUUUAUCCAUUCGCUGAGUACGCUGCUCUGACCUUCUUCCCAGUCUCGGUUCCUGUUCUGGGAGCUUGGGGCUGAGUAGCCACCAGCCCUGCUCUCUGCAGUGUUCUAUUGUGGAUUGCUUGUGUGCUGGCAGGCUACUACUGGUAAGAAUGGCUAGUGUCAGCAGGGAUGGCUCCUCUCUGGGUUCCAUCUCACCAAGAUGAGUGGUGCAAAUCUGAUCAC
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 238 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
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1195
n_atoms_counter: 1195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 238.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -958.189895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.189895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.189895 (E_RNA)
where:
Base-Base interactions energy: -31.921
where: short stacking energy: -31.921
Base-Backbone interact. energy: -0.000
local terms energy: -926.268383
where:
bonds (distance) C4'-P energy: -231.236
bonds (distance) P-C4' energy: -213.822
flat angles C4'-P-C4' energy: -174.746
flat angles P-C4'-P energy: -199.890
tors. eta vs tors. theta energy: -106.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1208.863330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.863330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.863330 (E_RNA)
where:
Base-Base interactions energy: -500.984
where: short stacking energy: -498.486
Base-Backbone interact. energy: -0.048
local terms energy: -707.831943
where:
bonds (distance) C4'-P energy: -158.121
bonds (distance) P-C4' energy: -158.341
flat angles C4'-P-C4' energy: -163.357
flat angles P-C4'-P energy: -94.814
tors. eta vs tors. theta energy: -133.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1086.234550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.234550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.234550 (E_RNA)
where:
Base-Base interactions energy: -431.386
where: short stacking energy: -428.313
Base-Backbone interact. energy: -0.552
local terms energy: -654.296198
where:
bonds (distance) C4'-P energy: -142.149
bonds (distance) P-C4' energy: -152.712
flat angles C4'-P-C4' energy: -156.555
flat angles P-C4'-P energy: -97.695
tors. eta vs tors. theta energy: -105.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1030.337080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.337080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.337080 (E_RNA)
where:
Base-Base interactions energy: -393.385
where: short stacking energy: -388.226
Base-Backbone interact. energy: -0.179
local terms energy: -636.772962
where:
bonds (distance) C4'-P energy: -147.983
bonds (distance) P-C4' energy: -142.023
flat angles C4'-P-C4' energy: -136.309
flat angles P-C4'-P energy: -95.583
tors. eta vs tors. theta energy: -114.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -968.679239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.679239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.679239 (E_RNA)
where:
Base-Base interactions energy: -83.905
where: short stacking energy: -83.905
Base-Backbone interact. energy: -0.000
local terms energy: -884.773669
where:
bonds (distance) C4'-P energy: -208.795
bonds (distance) P-C4' energy: -186.562
flat angles C4'-P-C4' energy: -180.383
flat angles P-C4'-P energy: -193.720
tors. eta vs tors. theta energy: -115.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -958.731150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.731150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.731150 (E_RNA)
where:
Base-Base interactions energy: -32.803
where: short stacking energy: -32.803
Base-Backbone interact. energy: -0.000
local terms energy: -925.928227
where:
bonds (distance) C4'-P energy: -231.120
bonds (distance) P-C4' energy: -213.815
flat angles C4'-P-C4' energy: -174.449
flat angles P-C4'-P energy: -199.816
tors. eta vs tors. theta energy: -106.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -957.188645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.188645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.188645 (E_RNA)
where:
Base-Base interactions energy: -34.859
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.000
local terms energy: -922.329210
where:
bonds (distance) C4'-P energy: -230.266
bonds (distance) P-C4' energy: -211.073
flat angles C4'-P-C4' energy: -174.507
flat angles P-C4'-P energy: -199.505
tors. eta vs tors. theta energy: -106.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -960.224788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.224788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.224788 (E_RNA)
where:
Base-Base interactions energy: -95.648
where: short stacking energy: -95.648
Base-Backbone interact. energy: -0.000
local terms energy: -864.576915
where:
bonds (distance) C4'-P energy: -197.244
bonds (distance) P-C4' energy: -179.071
flat angles C4'-P-C4' energy: -183.380
flat angles P-C4'-P energy: -190.259
tors. eta vs tors. theta energy: -114.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -956.684300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.684300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.684300 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -36.369
Base-Backbone interact. energy: -0.000
local terms energy: -920.314847
where:
bonds (distance) C4'-P energy: -229.178
bonds (distance) P-C4' energy: -210.818
flat angles C4'-P-C4' energy: -173.881
flat angles P-C4'-P energy: -199.457
tors. eta vs tors. theta energy: -106.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -957.088875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.088875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.088875 (E_RNA)
where:
Base-Base interactions energy: -36.880
where: short stacking energy: -36.880
Base-Backbone interact. energy: -0.000
local terms energy: -920.208645
where:
bonds (distance) C4'-P energy: -228.946
bonds (distance) P-C4' energy: -210.579
flat angles C4'-P-C4' energy: -173.686
flat angles P-C4'-P energy: -199.412
tors. eta vs tors. theta energy: -107.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -956.512388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.512388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.512388 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.000
local terms energy: -919.262804
where:
bonds (distance) C4'-P energy: -229.062
bonds (distance) P-C4' energy: -210.812
flat angles C4'-P-C4' energy: -172.812
flat angles P-C4'-P energy: -199.420
tors. eta vs tors. theta energy: -107.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1207.305823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.305823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.305823 (E_RNA)
where:
Base-Base interactions energy: -508.643
where: short stacking energy: -502.540
Base-Backbone interact. energy: 0.102
local terms energy: -698.764777
where:
bonds (distance) C4'-P energy: -159.426
bonds (distance) P-C4' energy: -155.750
flat angles C4'-P-C4' energy: -149.722
flat angles P-C4'-P energy: -101.867
tors. eta vs tors. theta energy: -132.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1187.120208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.120208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.120208 (E_RNA)
where:
Base-Base interactions energy: -517.874
where: short stacking energy: -515.044
Base-Backbone interact. energy: 1.003
local terms energy: -670.249633
where:
bonds (distance) C4'-P energy: -145.497
bonds (distance) P-C4' energy: -137.726
flat angles C4'-P-C4' energy: -157.745
flat angles P-C4'-P energy: -97.185
tors. eta vs tors. theta energy: -132.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1049.950969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.950969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.950969 (E_RNA)
where:
Base-Base interactions energy: -453.563
where: short stacking energy: -429.377
Base-Backbone interact. energy: 1.163
local terms energy: -597.550271
where:
bonds (distance) C4'-P energy: -148.511
bonds (distance) P-C4' energy: -140.187
flat angles C4'-P-C4' energy: -145.566
flat angles P-C4'-P energy: -84.929
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -980.137974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.137974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.137974 (E_RNA)
where:
Base-Base interactions energy: -396.382
where: short stacking energy: -394.153
Base-Backbone interact. energy: 3.259
local terms energy: -587.015238
where:
bonds (distance) C4'-P energy: -135.486
bonds (distance) P-C4' energy: -142.141
flat angles C4'-P-C4' energy: -135.788
flat angles P-C4'-P energy: -94.559
tors. eta vs tors. theta energy: -79.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -874.627988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.627988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.627988 (E_RNA)
where:
Base-Base interactions energy: -362.285
where: short stacking energy: -330.471
Base-Backbone interact. energy: 0.354
local terms energy: -512.697057
where:
bonds (distance) C4'-P energy: -132.911
bonds (distance) P-C4' energy: -148.391
flat angles C4'-P-C4' energy: -112.405
flat angles P-C4'-P energy: -78.919
tors. eta vs tors. theta energy: -40.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -807.879325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.879325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.879325 (E_RNA)
where:
Base-Base interactions energy: -282.431
where: short stacking energy: -280.931
Base-Backbone interact. energy: -1.056
local terms energy: -524.392019
where:
bonds (distance) C4'-P energy: -139.482
bonds (distance) P-C4' energy: -127.732
flat angles C4'-P-C4' energy: -135.230
flat angles P-C4'-P energy: -82.873
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -721.752211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.752211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.752211 (E_RNA)
where:
Base-Base interactions energy: -236.193
where: short stacking energy: -231.124
Base-Backbone interact. energy: -1.606
local terms energy: -483.952242
where:
bonds (distance) C4'-P energy: -121.606
bonds (distance) P-C4' energy: -137.952
flat angles C4'-P-C4' energy: -124.754
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -23.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -683.687935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.687935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.687935 (E_RNA)
where:
Base-Base interactions energy: -236.819
where: short stacking energy: -223.332
Base-Backbone interact. energy: -2.111
local terms energy: -444.758645
where:
bonds (distance) C4'-P energy: -119.577
bonds (distance) P-C4' energy: -136.948
flat angles C4'-P-C4' energy: -102.118
flat angles P-C4'-P energy: -70.086
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -632.689409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.689409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.689409 (E_RNA)
where:
Base-Base interactions energy: -241.616
where: short stacking energy: -217.056
Base-Backbone interact. energy: 3.875
local terms energy: -394.948201
where:
bonds (distance) C4'-P energy: -109.497
bonds (distance) P-C4' energy: -108.097
flat angles C4'-P-C4' energy: -103.603
flat angles P-C4'-P energy: -69.775
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -570.508752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.508752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.508752 (E_RNA)
where:
Base-Base interactions energy: -192.131
where: short stacking energy: -174.023
Base-Backbone interact. energy: 1.358
local terms energy: -379.736339
where:
bonds (distance) C4'-P energy: -119.890
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -49.824
tors. eta vs tors. theta energy: 16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1202.221519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.221519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.221519 (E_RNA)
where:
Base-Base interactions energy: -533.573
where: short stacking energy: -523.525
Base-Backbone interact. energy: -1.108
local terms energy: -667.540075
where:
bonds (distance) C4'-P energy: -142.153
bonds (distance) P-C4' energy: -151.627
flat angles C4'-P-C4' energy: -160.725
flat angles P-C4'-P energy: -83.024
tors. eta vs tors. theta energy: -130.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1139.892055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.892055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.892055 (E_RNA)
where:
Base-Base interactions energy: -477.488
where: short stacking energy: -468.964
Base-Backbone interact. energy: 1.545
local terms energy: -663.948970
where:
bonds (distance) C4'-P energy: -144.273
bonds (distance) P-C4' energy: -161.105
flat angles C4'-P-C4' energy: -141.839
flat angles P-C4'-P energy: -96.619
tors. eta vs tors. theta energy: -120.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1024.106278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.106278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.106278 (E_RNA)
where:
Base-Base interactions energy: -426.865
where: short stacking energy: -403.664
Base-Backbone interact. energy: -1.681
local terms energy: -595.560236
where:
bonds (distance) C4'-P energy: -148.959
bonds (distance) P-C4' energy: -137.734
flat angles C4'-P-C4' energy: -140.300
flat angles P-C4'-P energy: -92.289
tors. eta vs tors. theta energy: -76.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -978.173702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.173702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.173702 (E_RNA)
where:
Base-Base interactions energy: -407.872
where: short stacking energy: -376.491
Base-Backbone interact. energy: 0.530
local terms energy: -570.831671
where:
bonds (distance) C4'-P energy: -140.126
bonds (distance) P-C4' energy: -134.958
flat angles C4'-P-C4' energy: -135.205
flat angles P-C4'-P energy: -86.350
tors. eta vs tors. theta energy: -74.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -943.710869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.710869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.710869 (E_RNA)
where:
Base-Base interactions energy: -423.048
where: short stacking energy: -302.539
Base-Backbone interact. energy: -1.118
local terms energy: -519.544860
where:
bonds (distance) C4'-P energy: -136.828
bonds (distance) P-C4' energy: -141.424
flat angles C4'-P-C4' energy: -115.117
flat angles P-C4'-P energy: -86.161
tors. eta vs tors. theta energy: -40.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -799.832329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.832329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.832329 (E_RNA)
where:
Base-Base interactions energy: -291.140
where: short stacking energy: -253.922
Base-Backbone interact. energy: -1.442
local terms energy: -507.249658
where:
bonds (distance) C4'-P energy: -129.876
bonds (distance) P-C4' energy: -137.064
flat angles C4'-P-C4' energy: -126.510
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -34.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -726.075932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.075932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.075932 (E_RNA)
where:
Base-Base interactions energy: -259.083
where: short stacking energy: -251.884
Base-Backbone interact. energy: -1.256
local terms energy: -465.737135
where:
bonds (distance) C4'-P energy: -126.713
bonds (distance) P-C4' energy: -145.201
flat angles C4'-P-C4' energy: -126.451
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -671.950323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.950323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.950323 (E_RNA)
where:
Base-Base interactions energy: -239.946
where: short stacking energy: -203.034
Base-Backbone interact. energy: -0.417
local terms energy: -431.587396
where:
bonds (distance) C4'-P energy: -125.147
bonds (distance) P-C4' energy: -125.368
flat angles C4'-P-C4' energy: -115.352
flat angles P-C4'-P energy: -56.004
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -640.860320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.860320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.860320 (E_RNA)
where:
Base-Base interactions energy: -235.427
where: short stacking energy: -218.242
Base-Backbone interact. energy: -1.807
local terms energy: -403.625953
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -134.753
flat angles C4'-P-C4' energy: -112.767
flat angles P-C4'-P energy: -69.011
tors. eta vs tors. theta energy: 8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -553.799927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.799927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.799927 (E_RNA)
where:
Base-Base interactions energy: -196.683
where: short stacking energy: -181.943
Base-Backbone interact. energy: 3.135
local terms energy: -360.252199
where:
bonds (distance) C4'-P energy: -116.773
bonds (distance) P-C4' energy: -142.037
flat angles C4'-P-C4' energy: -84.844
flat angles P-C4'-P energy: -27.575
tors. eta vs tors. theta energy: 10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1263.200856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.200856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.200856 (E_RNA)
where:
Base-Base interactions energy: -564.000
where: short stacking energy: -552.908
Base-Backbone interact. energy: -0.153
local terms energy: -699.048100
where:
bonds (distance) C4'-P energy: -143.751
bonds (distance) P-C4' energy: -138.859
flat angles C4'-P-C4' energy: -157.464
flat angles P-C4'-P energy: -122.060
tors. eta vs tors. theta energy: -136.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1179.975123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.975123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.975123 (E_RNA)
where:
Base-Base interactions energy: -499.363
where: short stacking energy: -481.423
Base-Backbone interact. energy: -1.121
local terms energy: -679.490639
where:
bonds (distance) C4'-P energy: -147.303
bonds (distance) P-C4' energy: -152.454
flat angles C4'-P-C4' energy: -163.813
flat angles P-C4'-P energy: -91.137
tors. eta vs tors. theta energy: -124.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1080.267129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.267129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.267129 (E_RNA)
where:
Base-Base interactions energy: -516.766
where: short stacking energy: -422.984
Base-Backbone interact. energy: -2.368
local terms energy: -561.133309
where:
bonds (distance) C4'-P energy: -125.164
bonds (distance) P-C4' energy: -134.121
flat angles C4'-P-C4' energy: -140.137
flat angles P-C4'-P energy: -89.544
tors. eta vs tors. theta energy: -72.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -987.138133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.138133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.138133 (E_RNA)
where:
Base-Base interactions energy: -449.967
where: short stacking energy: -423.416
Base-Backbone interact. energy: -1.178
local terms energy: -535.993225
where:
bonds (distance) C4'-P energy: -135.888
bonds (distance) P-C4' energy: -133.643
flat angles C4'-P-C4' energy: -122.856
flat angles P-C4'-P energy: -77.667
tors. eta vs tors. theta energy: -65.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1002.260316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.260316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.260316 (E_RNA)
where:
Base-Base interactions energy: -483.667
where: short stacking energy: -357.669
Base-Backbone interact. energy: -2.514
local terms energy: -516.079615
where:
bonds (distance) C4'-P energy: -129.359
bonds (distance) P-C4' energy: -118.268
flat angles C4'-P-C4' energy: -123.738
flat angles P-C4'-P energy: -79.494
tors. eta vs tors. theta energy: -65.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -837.079726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.079726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.079726 (E_RNA)
where:
Base-Base interactions energy: -322.592
where: short stacking energy: -283.798
Base-Backbone interact. energy: -2.224
local terms energy: -512.263846
where:
bonds (distance) C4'-P energy: -144.278
bonds (distance) P-C4' energy: -147.302
flat angles C4'-P-C4' energy: -127.415
flat angles P-C4'-P energy: -68.301
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -746.834972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.834972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.834972 (E_RNA)
where:
Base-Base interactions energy: -296.504
where: short stacking energy: -231.987
Base-Backbone interact. energy: 1.036
local terms energy: -451.367830
where:
bonds (distance) C4'-P energy: -124.789
bonds (distance) P-C4' energy: -137.393
flat angles C4'-P-C4' energy: -116.714
flat angles P-C4'-P energy: -66.586
tors. eta vs tors. theta energy: -5.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -678.178527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.178527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.178527 (E_RNA)
where:
Base-Base interactions energy: -241.435
where: short stacking energy: -197.343
Base-Backbone interact. energy: 4.753
local terms energy: -441.496974
where:
bonds (distance) C4'-P energy: -122.325
bonds (distance) P-C4' energy: -130.782
flat angles C4'-P-C4' energy: -120.298
flat angles P-C4'-P energy: -73.607
tors. eta vs tors. theta energy: 5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -621.958267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.958267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.958267 (E_RNA)
where:
Base-Base interactions energy: -214.425
where: short stacking energy: -172.392
Base-Backbone interact. energy: 6.734
local terms energy: -414.267007
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -138.539
flat angles C4'-P-C4' energy: -118.706
flat angles P-C4'-P energy: -54.734
tors. eta vs tors. theta energy: 4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -611.844015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.844015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.844015 (E_RNA)
where:
Base-Base interactions energy: -222.421
where: short stacking energy: -182.952
Base-Backbone interact. energy: -3.133
local terms energy: -386.289278
where:
bonds (distance) C4'-P energy: -126.693
bonds (distance) P-C4' energy: -127.436
flat angles C4'-P-C4' energy: -101.472
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: 8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1319.601827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.601827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.601827 (E_RNA)
where:
Base-Base interactions energy: -617.145
where: short stacking energy: -570.740
Base-Backbone interact. energy: -1.294
local terms energy: -701.162533
where:
bonds (distance) C4'-P energy: -154.836
bonds (distance) P-C4' energy: -150.825
flat angles C4'-P-C4' energy: -148.627
flat angles P-C4'-P energy: -95.312
tors. eta vs tors. theta energy: -151.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1216.912550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.912550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.912550 (E_RNA)
where:
Base-Base interactions energy: -570.899
where: short stacking energy: -498.450
Base-Backbone interact. energy: 3.555
local terms energy: -649.568610
where:
bonds (distance) C4'-P energy: -148.401
bonds (distance) P-C4' energy: -149.725
flat angles C4'-P-C4' energy: -153.510
flat angles P-C4'-P energy: -80.270
tors. eta vs tors. theta energy: -117.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1132.557337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.557337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.557337 (E_RNA)
where:
Base-Base interactions energy: -518.916
where: short stacking energy: -401.525
Base-Backbone interact. energy: -1.863
local terms energy: -611.777971
where:
bonds (distance) C4'-P energy: -150.629
bonds (distance) P-C4' energy: -141.109
flat angles C4'-P-C4' energy: -139.437
flat angles P-C4'-P energy: -94.561
tors. eta vs tors. theta energy: -86.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1017.085925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.085925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.085925 (E_RNA)
where:
Base-Base interactions energy: -429.844
where: short stacking energy: -367.356
Base-Backbone interact. energy: -0.327
local terms energy: -586.915687
where:
bonds (distance) C4'-P energy: -129.303
bonds (distance) P-C4' energy: -152.512
flat angles C4'-P-C4' energy: -128.344
flat angles P-C4'-P energy: -109.979
tors. eta vs tors. theta energy: -66.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1157.850486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.850486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.850486 (E_RNA)
where:
Base-Base interactions energy: -617.394
where: short stacking energy: -369.819
Base-Backbone interact. energy: 3.418
local terms energy: -543.874391
where:
bonds (distance) C4'-P energy: -143.475
bonds (distance) P-C4' energy: -147.450
flat angles C4'-P-C4' energy: -114.396
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -68.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -847.498043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.498043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.498043 (E_RNA)
where:
Base-Base interactions energy: -363.609
where: short stacking energy: -288.621
Base-Backbone interact. energy: -3.127
local terms energy: -480.761798
where:
bonds (distance) C4'-P energy: -132.576
bonds (distance) P-C4' energy: -132.538
flat angles C4'-P-C4' energy: -124.210
flat angles P-C4'-P energy: -51.879
tors. eta vs tors. theta energy: -39.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -778.557466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.557466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.557466 (E_RNA)
where:
Base-Base interactions energy: -324.744
where: short stacking energy: -243.770
Base-Backbone interact. energy: -0.049
local terms energy: -453.765062
where:
bonds (distance) C4'-P energy: -132.569
bonds (distance) P-C4' energy: -128.019
flat angles C4'-P-C4' energy: -112.522
flat angles P-C4'-P energy: -70.184
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -667.236925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.236925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.236925 (E_RNA)
where:
Base-Base interactions energy: -254.571
where: short stacking energy: -225.071
Base-Backbone interact. energy: -2.601
local terms energy: -410.064205
where:
bonds (distance) C4'-P energy: -109.963
bonds (distance) P-C4' energy: -129.699
flat angles C4'-P-C4' energy: -111.136
flat angles P-C4'-P energy: -58.276
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -685.471659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.471659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.471659 (E_RNA)
where:
Base-Base interactions energy: -258.746
where: short stacking energy: -184.205
Base-Backbone interact. energy: 0.357
local terms energy: -427.082195
where:
bonds (distance) C4'-P energy: -128.515
bonds (distance) P-C4' energy: -119.211
flat angles C4'-P-C4' energy: -111.648
flat angles P-C4'-P energy: -70.834
tors. eta vs tors. theta energy: 3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -558.334984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.334984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.334984 (E_RNA)
where:
Base-Base interactions energy: -161.589
where: short stacking energy: -153.082
Base-Backbone interact. energy: -0.843
local terms energy: -395.903089
where:
bonds (distance) C4'-P energy: -124.032
bonds (distance) P-C4' energy: -126.424
flat angles C4'-P-C4' energy: -107.230
flat angles P-C4'-P energy: -66.923
tors. eta vs tors. theta energy: 28.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1332.182188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.182188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.182188 (E_RNA)
where:
Base-Base interactions energy: -635.157
where: short stacking energy: -553.054
Base-Backbone interact. energy: 0.146
local terms energy: -697.171693
where:
bonds (distance) C4'-P energy: -138.620
bonds (distance) P-C4' energy: -159.720
flat angles C4'-P-C4' energy: -155.464
flat angles P-C4'-P energy: -104.864
tors. eta vs tors. theta energy: -138.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1254.880817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.880817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.880817 (E_RNA)
where:
Base-Base interactions energy: -592.035
where: short stacking energy: -518.902
Base-Backbone interact. energy: -0.418
local terms energy: -662.427604
where:
bonds (distance) C4'-P energy: -140.076
bonds (distance) P-C4' energy: -137.654
flat angles C4'-P-C4' energy: -146.602
flat angles P-C4'-P energy: -94.541
tors. eta vs tors. theta energy: -143.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1186.759636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.759636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.759636 (E_RNA)
where:
Base-Base interactions energy: -538.101
where: short stacking energy: -422.490
Base-Backbone interact. energy: 0.380
local terms energy: -649.038555
where:
bonds (distance) C4'-P energy: -139.455
bonds (distance) P-C4' energy: -150.958
flat angles C4'-P-C4' energy: -157.127
flat angles P-C4'-P energy: -96.629
tors. eta vs tors. theta energy: -104.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1270.223021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.223021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.223021 (E_RNA)
where:
Base-Base interactions energy: -701.963
where: short stacking energy: -409.384
Base-Backbone interact. energy: -2.270
local terms energy: -565.989924
where:
bonds (distance) C4'-P energy: -133.801
bonds (distance) P-C4' energy: -126.354
flat angles C4'-P-C4' energy: -141.494
flat angles P-C4'-P energy: -81.074
tors. eta vs tors. theta energy: -83.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -972.674880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.674880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.674880 (E_RNA)
where:
Base-Base interactions energy: -430.824
where: short stacking energy: -344.148
Base-Backbone interact. energy: -2.189
local terms energy: -539.661792
where:
bonds (distance) C4'-P energy: -127.271
bonds (distance) P-C4' energy: -149.047
flat angles C4'-P-C4' energy: -125.715
flat angles P-C4'-P energy: -81.918
tors. eta vs tors. theta energy: -55.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -874.448975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.448975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.448975 (E_RNA)
where:
Base-Base interactions energy: -362.888
where: short stacking energy: -278.554
Base-Backbone interact. energy: 0.571
local terms energy: -512.132220
where:
bonds (distance) C4'-P energy: -137.301
bonds (distance) P-C4' energy: -143.297
flat angles C4'-P-C4' energy: -134.105
flat angles P-C4'-P energy: -74.944
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -866.059172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.059172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.059172 (E_RNA)
where:
Base-Base interactions energy: -389.714
where: short stacking energy: -244.704
Base-Backbone interact. energy: -3.237
local terms energy: -473.107839
where:
bonds (distance) C4'-P energy: -139.582
bonds (distance) P-C4' energy: -124.873
flat angles C4'-P-C4' energy: -132.848
flat angles P-C4'-P energy: -72.010
tors. eta vs tors. theta energy: -3.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -681.950259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.950259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.950259 (E_RNA)
where:
Base-Base interactions energy: -270.719
where: short stacking energy: -216.832
Base-Backbone interact. energy: -1.623
local terms energy: -409.608210
where:
bonds (distance) C4'-P energy: -118.475
bonds (distance) P-C4' energy: -121.141
flat angles C4'-P-C4' energy: -105.488
flat angles P-C4'-P energy: -70.532
tors. eta vs tors. theta energy: 6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -660.732260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.732260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.732260 (E_RNA)
where:
Base-Base interactions energy: -266.576
where: short stacking energy: -181.359
Base-Backbone interact. energy: 0.249
local terms energy: -394.405126
where:
bonds (distance) C4'-P energy: -125.440
bonds (distance) P-C4' energy: -135.967
flat angles C4'-P-C4' energy: -110.396
flat angles P-C4'-P energy: -42.914
tors. eta vs tors. theta energy: 20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -551.660236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.660236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.660236 (E_RNA)
where:
Base-Base interactions energy: -202.137
where: short stacking energy: -186.509
Base-Backbone interact. energy: -3.382
local terms energy: -346.140970
where:
bonds (distance) C4'-P energy: -107.431
bonds (distance) P-C4' energy: -121.992
flat angles C4'-P-C4' energy: -91.281
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: 17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1366.084334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.084334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.084334 (E_RNA)
where:
Base-Base interactions energy: -676.123
where: short stacking energy: -513.048
Base-Backbone interact. energy: -1.424
local terms energy: -688.536509
where:
bonds (distance) C4'-P energy: -139.644
bonds (distance) P-C4' energy: -161.542
flat angles C4'-P-C4' energy: -147.646
flat angles P-C4'-P energy: -109.376
tors. eta vs tors. theta energy: -130.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1334.750656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.750656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.750656 (E_RNA)
where:
Base-Base interactions energy: -694.835
where: short stacking energy: -483.725
Base-Backbone interact. energy: -0.348
local terms energy: -639.568304
where:
bonds (distance) C4'-P energy: -157.343
bonds (distance) P-C4' energy: -138.823
flat angles C4'-P-C4' energy: -139.989
flat angles P-C4'-P energy: -95.791
tors. eta vs tors. theta energy: -107.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1434.601085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.601085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.601085 (E_RNA)
where:
Base-Base interactions energy: -780.823
where: short stacking energy: -499.662
Base-Backbone interact. energy: -0.878
local terms energy: -652.899173
where:
bonds (distance) C4'-P energy: -147.159
bonds (distance) P-C4' energy: -144.300
flat angles C4'-P-C4' energy: -134.209
flat angles P-C4'-P energy: -104.958
tors. eta vs tors. theta energy: -122.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1144.309467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.309467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.309467 (E_RNA)
where:
Base-Base interactions energy: -577.290
where: short stacking energy: -389.642
Base-Backbone interact. energy: 1.544
local terms energy: -568.563702
where:
bonds (distance) C4'-P energy: -141.338
bonds (distance) P-C4' energy: -136.549
flat angles C4'-P-C4' energy: -142.183
flat angles P-C4'-P energy: -73.878
tors. eta vs tors. theta energy: -74.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -934.599343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.599343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.599343 (E_RNA)
where:
Base-Base interactions energy: -380.142
where: short stacking energy: -296.932
Base-Backbone interact. energy: -4.069
local terms energy: -550.387697
where:
bonds (distance) C4'-P energy: -135.968
bonds (distance) P-C4' energy: -137.674
flat angles C4'-P-C4' energy: -134.035
flat angles P-C4'-P energy: -90.818
tors. eta vs tors. theta energy: -51.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -909.794552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.794552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.794552 (E_RNA)
where:
Base-Base interactions energy: -444.457
where: short stacking energy: -306.794
Base-Backbone interact. energy: -2.384
local terms energy: -462.953170
where:
bonds (distance) C4'-P energy: -132.367
bonds (distance) P-C4' energy: -116.668
flat angles C4'-P-C4' energy: -110.590
flat angles P-C4'-P energy: -72.838
tors. eta vs tors. theta energy: -30.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -787.167426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.167426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.167426 (E_RNA)
where:
Base-Base interactions energy: -332.942
where: short stacking energy: -269.188
Base-Backbone interact. energy: -1.875
local terms energy: -452.350061
where:
bonds (distance) C4'-P energy: -122.740
bonds (distance) P-C4' energy: -121.820
flat angles C4'-P-C4' energy: -126.355
flat angles P-C4'-P energy: -55.423
tors. eta vs tors. theta energy: -26.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -788.853117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.853117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.853117 (E_RNA)
where:
Base-Base interactions energy: -334.800
where: short stacking energy: -202.327
Base-Backbone interact. energy: 0.521
local terms energy: -454.573849
where:
bonds (distance) C4'-P energy: -127.115
bonds (distance) P-C4' energy: -142.877
flat angles C4'-P-C4' energy: -120.224
flat angles P-C4'-P energy: -56.867
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -606.331891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.331891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.331891 (E_RNA)
where:
Base-Base interactions energy: -211.609
where: short stacking energy: -180.091
Base-Backbone interact. energy: -1.095
local terms energy: -393.627936
where:
bonds (distance) C4'-P energy: -141.793
bonds (distance) P-C4' energy: -125.565
flat angles C4'-P-C4' energy: -101.499
flat angles P-C4'-P energy: -50.805
tors. eta vs tors. theta energy: 26.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -546.956036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.956036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.956036 (E_RNA)
where:
Base-Base interactions energy: -167.243
where: short stacking energy: -154.989
Base-Backbone interact. energy: 0.076
local terms energy: -379.789484
where:
bonds (distance) C4'-P energy: -122.355
bonds (distance) P-C4' energy: -120.234
flat angles C4'-P-C4' energy: -119.381
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: 22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1485.038856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.038856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.038856 (E_RNA)
where:
Base-Base interactions energy: -799.999
where: short stacking energy: -590.446
Base-Backbone interact. energy: 2.102
local terms energy: -687.141653
where:
bonds (distance) C4'-P energy: -153.007
bonds (distance) P-C4' energy: -156.498
flat angles C4'-P-C4' energy: -151.443
flat angles P-C4'-P energy: -96.579
tors. eta vs tors. theta energy: -129.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1541.514803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.514803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.514803 (E_RNA)
where:
Base-Base interactions energy: -903.654
where: short stacking energy: -523.527
Base-Backbone interact. energy: -4.831
local terms energy: -633.030401
where:
bonds (distance) C4'-P energy: -136.158
bonds (distance) P-C4' energy: -128.929
flat angles C4'-P-C4' energy: -160.576
flat angles P-C4'-P energy: -94.292
tors. eta vs tors. theta energy: -113.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1283.405553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.405553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.405553 (E_RNA)
where:
Base-Base interactions energy: -655.554
where: short stacking energy: -442.713
Base-Backbone interact. energy: -3.772
local terms energy: -624.079454
where:
bonds (distance) C4'-P energy: -128.380
bonds (distance) P-C4' energy: -141.512
flat angles C4'-P-C4' energy: -153.669
flat angles P-C4'-P energy: -86.507
tors. eta vs tors. theta energy: -114.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1201.341925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.341925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.341925 (E_RNA)
where:
Base-Base interactions energy: -630.744
where: short stacking energy: -403.739
Base-Backbone interact. energy: 0.403
local terms energy: -571.001299
where:
bonds (distance) C4'-P energy: -133.509
bonds (distance) P-C4' energy: -148.951
flat angles C4'-P-C4' energy: -135.382
flat angles P-C4'-P energy: -75.707
tors. eta vs tors. theta energy: -77.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -908.014496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.014496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.014496 (E_RNA)
where:
Base-Base interactions energy: -424.053
where: short stacking energy: -296.681
Base-Backbone interact. energy: 2.984
local terms energy: -486.944958
where:
bonds (distance) C4'-P energy: -127.077
bonds (distance) P-C4' energy: -126.325
flat angles C4'-P-C4' energy: -110.607
flat angles P-C4'-P energy: -86.195
tors. eta vs tors. theta energy: -36.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -935.316980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.316980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.316980 (E_RNA)
where:
Base-Base interactions energy: -478.101
where: short stacking energy: -314.712
Base-Backbone interact. energy: -1.030
local terms energy: -456.185879
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -124.539
flat angles C4'-P-C4' energy: -125.782
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -30.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -719.279639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.279639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.279639 (E_RNA)
where:
Base-Base interactions energy: -272.772
where: short stacking energy: -221.205
Base-Backbone interact. energy: -3.174
local terms energy: -443.332875
where:
bonds (distance) C4'-P energy: -128.242
bonds (distance) P-C4' energy: -126.643
flat angles C4'-P-C4' energy: -109.561
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -832.840701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.840701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.840701 (E_RNA)
where:
Base-Base interactions energy: -355.595
where: short stacking energy: -234.906
Base-Backbone interact. energy: -1.125
local terms energy: -476.120868
where:
bonds (distance) C4'-P energy: -127.894
bonds (distance) P-C4' energy: -138.549
flat angles C4'-P-C4' energy: -131.916
flat angles P-C4'-P energy: -66.735
tors. eta vs tors. theta energy: -11.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -620.144287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.144287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.144287 (E_RNA)
where:
Base-Base interactions energy: -246.125
where: short stacking energy: -166.565
Base-Backbone interact. energy: 6.144
local terms energy: -380.164077
where:
bonds (distance) C4'-P energy: -123.560
bonds (distance) P-C4' energy: -132.258
flat angles C4'-P-C4' energy: -107.768
flat angles P-C4'-P energy: -52.350
tors. eta vs tors. theta energy: 35.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -641.319823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.319823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.319823 (E_RNA)
where:
Base-Base interactions energy: -276.368
where: short stacking energy: -190.957
Base-Backbone interact. energy: -3.281
local terms energy: -361.670723
where:
bonds (distance) C4'-P energy: -99.402
bonds (distance) P-C4' energy: -124.345
flat angles C4'-P-C4' energy: -97.921
flat angles P-C4'-P energy: -60.794
tors. eta vs tors. theta energy: 20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1643.866639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.866639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.866639 (E_RNA)
where:
Base-Base interactions energy: -961.747
where: short stacking energy: -567.660
Base-Backbone interact. energy: 2.241
local terms energy: -684.359930
where:
bonds (distance) C4'-P energy: -128.012
bonds (distance) P-C4' energy: -148.352
flat angles C4'-P-C4' energy: -171.868
flat angles P-C4'-P energy: -102.596
tors. eta vs tors. theta energy: -133.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1334.227151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.227151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.227151 (E_RNA)
where:
Base-Base interactions energy: -648.238
where: short stacking energy: -521.071
Base-Backbone interact. energy: -0.746
local terms energy: -685.243774
where:
bonds (distance) C4'-P energy: -140.309
bonds (distance) P-C4' energy: -158.702
flat angles C4'-P-C4' energy: -149.291
flat angles P-C4'-P energy: -91.123
tors. eta vs tors. theta energy: -145.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1292.254373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.254373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.254373 (E_RNA)
where:
Base-Base interactions energy: -672.511
where: short stacking energy: -495.845
Base-Backbone interact. energy: -0.691
local terms energy: -619.052953
where:
bonds (distance) C4'-P energy: -132.568
bonds (distance) P-C4' energy: -136.974
flat angles C4'-P-C4' energy: -148.047
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -108.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1235.420990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.420990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.420990 (E_RNA)
where:
Base-Base interactions energy: -676.136
where: short stacking energy: -402.562
Base-Backbone interact. energy: -3.144
local terms energy: -556.140321
where:
bonds (distance) C4'-P energy: -119.862
bonds (distance) P-C4' energy: -151.096
flat angles C4'-P-C4' energy: -135.586
flat angles P-C4'-P energy: -78.330
tors. eta vs tors. theta energy: -71.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1066.914370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.914370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.914370 (E_RNA)
where:
Base-Base interactions energy: -542.941
where: short stacking energy: -347.679
Base-Backbone interact. energy: 2.808
local terms energy: -526.782026
where:
bonds (distance) C4'-P energy: -139.553
bonds (distance) P-C4' energy: -131.705
flat angles C4'-P-C4' energy: -124.630
flat angles P-C4'-P energy: -80.917
tors. eta vs tors. theta energy: -49.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -905.067386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.067386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.067386 (E_RNA)
where:
Base-Base interactions energy: -415.284
where: short stacking energy: -313.889
Base-Backbone interact. energy: -1.370
local terms energy: -488.413190
where:
bonds (distance) C4'-P energy: -121.819
bonds (distance) P-C4' energy: -129.659
flat angles C4'-P-C4' energy: -122.596
flat angles P-C4'-P energy: -79.850
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -920.468754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.468754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.468754 (E_RNA)
where:
Base-Base interactions energy: -453.481
where: short stacking energy: -309.881
Base-Backbone interact. energy: 2.373
local terms energy: -469.360679
where:
bonds (distance) C4'-P energy: -111.847
bonds (distance) P-C4' energy: -118.319
flat angles C4'-P-C4' energy: -125.513
flat angles P-C4'-P energy: -83.534
tors. eta vs tors. theta energy: -30.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -657.069052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.069052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.069052 (E_RNA)
where:
Base-Base interactions energy: -226.394
where: short stacking energy: -197.949
Base-Backbone interact. energy: -5.636
local terms energy: -425.038847
where:
bonds (distance) C4'-P energy: -123.419
bonds (distance) P-C4' energy: -140.578
flat angles C4'-P-C4' energy: -103.634
flat angles P-C4'-P energy: -50.325
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -686.165162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.165162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.165162 (E_RNA)
where:
Base-Base interactions energy: -276.241
where: short stacking energy: -177.679
Base-Backbone interact. energy: 1.551
local terms energy: -411.475779
where:
bonds (distance) C4'-P energy: -105.363
bonds (distance) P-C4' energy: -128.828
flat angles C4'-P-C4' energy: -104.199
flat angles P-C4'-P energy: -85.860
tors. eta vs tors. theta energy: 12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -595.953745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.953745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.953745 (E_RNA)
where:
Base-Base interactions energy: -235.580
where: short stacking energy: -182.119
Base-Backbone interact. energy: -1.548
local terms energy: -358.826017
where:
bonds (distance) C4'-P energy: -76.442
bonds (distance) P-C4' energy: -133.966
flat angles C4'-P-C4' energy: -103.825
flat angles P-C4'-P energy: -65.939
tors. eta vs tors. theta energy: 21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1724.892210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.892210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.892210 (E_RNA)
where:
Base-Base interactions energy: -1032.420
where: short stacking energy: -588.609
Base-Backbone interact. energy: -0.511
local terms energy: -691.960737
where:
bonds (distance) C4'-P energy: -138.115
bonds (distance) P-C4' energy: -139.544
flat angles C4'-P-C4' energy: -167.986
flat angles P-C4'-P energy: -101.851
tors. eta vs tors. theta energy: -144.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1357.701910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.701910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.701910 (E_RNA)
where:
Base-Base interactions energy: -703.595
where: short stacking energy: -521.628
Base-Backbone interact. energy: -1.907
local terms energy: -652.200244
where:
bonds (distance) C4'-P energy: -144.358
bonds (distance) P-C4' energy: -139.232
flat angles C4'-P-C4' energy: -149.038
flat angles P-C4'-P energy: -94.668
tors. eta vs tors. theta energy: -124.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1314.985006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.985006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.985006 (E_RNA)
where:
Base-Base interactions energy: -706.798
where: short stacking energy: -457.001
Base-Backbone interact. energy: 0.973
local terms energy: -609.159821
where:
bonds (distance) C4'-P energy: -146.954
bonds (distance) P-C4' energy: -150.002
flat angles C4'-P-C4' energy: -127.287
flat angles P-C4'-P energy: -93.007
tors. eta vs tors. theta energy: -91.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1302.538518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.538518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.538518 (E_RNA)
where:
Base-Base interactions energy: -747.366
where: short stacking energy: -407.978
Base-Backbone interact. energy: 1.335
local terms energy: -556.507259
where:
bonds (distance) C4'-P energy: -128.407
bonds (distance) P-C4' energy: -132.812
flat angles C4'-P-C4' energy: -146.737
flat angles P-C4'-P energy: -77.679
tors. eta vs tors. theta energy: -70.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1166.291610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.291610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.291610 (E_RNA)
where:
Base-Base interactions energy: -633.028
where: short stacking energy: -348.590
Base-Backbone interact. energy: 3.481
local terms energy: -536.744107
where:
bonds (distance) C4'-P energy: -127.867
bonds (distance) P-C4' energy: -129.636
flat angles C4'-P-C4' energy: -135.237
flat angles P-C4'-P energy: -84.436
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -886.619953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.619953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.619953 (E_RNA)
where:
Base-Base interactions energy: -390.733
where: short stacking energy: -293.422
Base-Backbone interact. energy: 1.332
local terms energy: -497.219198
where:
bonds (distance) C4'-P energy: -130.268
bonds (distance) P-C4' energy: -139.663
flat angles C4'-P-C4' energy: -113.367
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -48.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -892.473374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.473374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.473374 (E_RNA)
where:
Base-Base interactions energy: -432.115
where: short stacking energy: -280.557
Base-Backbone interact. energy: 2.364
local terms energy: -462.722863
where:
bonds (distance) C4'-P energy: -119.830
bonds (distance) P-C4' energy: -124.695
flat angles C4'-P-C4' energy: -129.423
flat angles P-C4'-P energy: -71.606
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -954.972172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.972172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.972172 (E_RNA)
where:
Base-Base interactions energy: -489.038
where: short stacking energy: -293.941
Base-Backbone interact. energy: -0.816
local terms energy: -465.118821
where:
bonds (distance) C4'-P energy: -120.712
bonds (distance) P-C4' energy: -117.959
flat angles C4'-P-C4' energy: -123.432
flat angles P-C4'-P energy: -64.309
tors. eta vs tors. theta energy: -38.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -651.833603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.833603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.833603 (E_RNA)
where:
Base-Base interactions energy: -263.147
where: short stacking energy: -230.975
Base-Backbone interact. energy: -6.594
local terms energy: -382.092813
where:
bonds (distance) C4'-P energy: -112.283
bonds (distance) P-C4' energy: -122.475
flat angles C4'-P-C4' energy: -90.600
flat angles P-C4'-P energy: -59.035
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -593.539794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.539794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.539794 (E_RNA)
where:
Base-Base interactions energy: -234.254
where: short stacking energy: -179.440
Base-Backbone interact. energy: -3.872
local terms energy: -355.414053
where:
bonds (distance) C4'-P energy: -127.604
bonds (distance) P-C4' energy: -103.821
flat angles C4'-P-C4' energy: -81.582
flat angles P-C4'-P energy: -66.653
tors. eta vs tors. theta energy: 24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1831.320773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.320773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.320773 (E_RNA)
where:
Base-Base interactions energy: -1122.242
where: short stacking energy: -628.851
Base-Backbone interact. energy: -1.036
local terms energy: -708.042986
where:
bonds (distance) C4'-P energy: -147.325
bonds (distance) P-C4' energy: -139.794
flat angles C4'-P-C4' energy: -152.323
flat angles P-C4'-P energy: -101.046
tors. eta vs tors. theta energy: -167.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1416.282740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.282740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.282740 (E_RNA)
where:
Base-Base interactions energy: -746.880
where: short stacking energy: -480.526
Base-Backbone interact. energy: -3.158
local terms energy: -666.244748
where:
bonds (distance) C4'-P energy: -152.902
bonds (distance) P-C4' energy: -139.596
flat angles C4'-P-C4' energy: -151.985
flat angles P-C4'-P energy: -97.405
tors. eta vs tors. theta energy: -124.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1353.932422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.932422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.932422 (E_RNA)
where:
Base-Base interactions energy: -751.948
where: short stacking energy: -419.670
Base-Backbone interact. energy: -2.152
local terms energy: -599.832341
where:
bonds (distance) C4'-P energy: -134.592
bonds (distance) P-C4' energy: -151.207
flat angles C4'-P-C4' energy: -143.463
flat angles P-C4'-P energy: -85.286
tors. eta vs tors. theta energy: -85.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1315.905671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.905671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.905671 (E_RNA)
where:
Base-Base interactions energy: -741.890
where: short stacking energy: -437.381
Base-Backbone interact. energy: -2.461
local terms energy: -571.555230
where:
bonds (distance) C4'-P energy: -107.927
bonds (distance) P-C4' energy: -139.150
flat angles C4'-P-C4' energy: -139.957
flat angles P-C4'-P energy: -88.598
tors. eta vs tors. theta energy: -95.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1220.780320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.780320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.780320 (E_RNA)
where:
Base-Base interactions energy: -668.790
where: short stacking energy: -364.196
Base-Backbone interact. energy: -4.446
local terms energy: -547.544917
where:
bonds (distance) C4'-P energy: -132.031
bonds (distance) P-C4' energy: -140.408
flat angles C4'-P-C4' energy: -142.998
flat angles P-C4'-P energy: -77.450
tors. eta vs tors. theta energy: -54.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1013.981099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.981099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.981099 (E_RNA)
where:
Base-Base interactions energy: -496.481
where: short stacking energy: -309.630
Base-Backbone interact. energy: -1.802
local terms energy: -515.697699
where:
bonds (distance) C4'-P energy: -128.407
bonds (distance) P-C4' energy: -133.708
flat angles C4'-P-C4' energy: -130.323
flat angles P-C4'-P energy: -80.526
tors. eta vs tors. theta energy: -42.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1045.001539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.001539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.001539 (E_RNA)
where:
Base-Base interactions energy: -581.756
where: short stacking energy: -345.910
Base-Backbone interact. energy: -2.344
local terms energy: -460.901483
where:
bonds (distance) C4'-P energy: -119.788
bonds (distance) P-C4' energy: -132.025
flat angles C4'-P-C4' energy: -94.032
flat angles P-C4'-P energy: -67.581
tors. eta vs tors. theta energy: -47.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -837.118868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.118868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.118868 (E_RNA)
where:
Base-Base interactions energy: -409.035
where: short stacking energy: -259.019
Base-Backbone interact. energy: -0.569
local terms energy: -427.515557
where:
bonds (distance) C4'-P energy: -113.290
bonds (distance) P-C4' energy: -140.368
flat angles C4'-P-C4' energy: -111.793
flat angles P-C4'-P energy: -64.315
tors. eta vs tors. theta energy: 2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -734.211679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.211679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.211679 (E_RNA)
where:
Base-Base interactions energy: -333.795
where: short stacking energy: -217.991
Base-Backbone interact. energy: -1.675
local terms energy: -398.741658
where:
bonds (distance) C4'-P energy: -108.564
bonds (distance) P-C4' energy: -125.007
flat angles C4'-P-C4' energy: -94.746
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -3.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -603.665164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.665164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.665164 (E_RNA)
where:
Base-Base interactions energy: -252.468
where: short stacking energy: -165.320
Base-Backbone interact. energy: 3.398
local terms energy: -354.595222
where:
bonds (distance) C4'-P energy: -114.828
bonds (distance) P-C4' energy: -120.116
flat angles C4'-P-C4' energy: -94.044
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: 25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1842.385146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.385146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.385146 (E_RNA)
where:
Base-Base interactions energy: -1118.988
where: short stacking energy: -624.694
Base-Backbone interact. energy: -1.034
local terms energy: -722.363600
where:
bonds (distance) C4'-P energy: -140.456
bonds (distance) P-C4' energy: -143.368
flat angles C4'-P-C4' energy: -164.566
flat angles P-C4'-P energy: -107.718
tors. eta vs tors. theta energy: -166.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1480.724124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.724124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.724124 (E_RNA)
where:
Base-Base interactions energy: -817.981
where: short stacking energy: -520.992
Base-Backbone interact. energy: -2.335
local terms energy: -660.408265
where:
bonds (distance) C4'-P energy: -153.330
bonds (distance) P-C4' energy: -127.951
flat angles C4'-P-C4' energy: -153.004
flat angles P-C4'-P energy: -98.501
tors. eta vs tors. theta energy: -127.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1354.399382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.399382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.399382 (E_RNA)
where:
Base-Base interactions energy: -754.443
where: short stacking energy: -462.450
Base-Backbone interact. energy: -0.745
local terms energy: -599.212005
where:
bonds (distance) C4'-P energy: -130.709
bonds (distance) P-C4' energy: -146.764
flat angles C4'-P-C4' energy: -142.660
flat angles P-C4'-P energy: -84.261
tors. eta vs tors. theta energy: -94.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1381.863097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.863097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.863097 (E_RNA)
where:
Base-Base interactions energy: -776.754
where: short stacking energy: -447.721
Base-Backbone interact. energy: 4.506
local terms energy: -609.615859
where:
bonds (distance) C4'-P energy: -122.565
bonds (distance) P-C4' energy: -149.518
flat angles C4'-P-C4' energy: -139.215
flat angles P-C4'-P energy: -93.088
tors. eta vs tors. theta energy: -105.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1233.834839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.834839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.834839 (E_RNA)
where:
Base-Base interactions energy: -708.889
where: short stacking energy: -392.383
Base-Backbone interact. energy: 3.800
local terms energy: -528.745478
where:
bonds (distance) C4'-P energy: -142.770
bonds (distance) P-C4' energy: -129.673
flat angles C4'-P-C4' energy: -117.817
flat angles P-C4'-P energy: -61.107
tors. eta vs tors. theta energy: -77.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1168.813041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.813041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.813041 (E_RNA)
where:
Base-Base interactions energy: -666.058
where: short stacking energy: -372.944
Base-Backbone interact. energy: 1.359
local terms energy: -504.113855
where:
bonds (distance) C4'-P energy: -140.172
bonds (distance) P-C4' energy: -122.661
flat angles C4'-P-C4' energy: -115.522
flat angles P-C4'-P energy: -66.791
tors. eta vs tors. theta energy: -58.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -937.603413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.603413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.603413 (E_RNA)
where:
Base-Base interactions energy: -477.571
where: short stacking energy: -291.889
Base-Backbone interact. energy: -2.528
local terms energy: -457.504567
where:
bonds (distance) C4'-P energy: -105.941
bonds (distance) P-C4' energy: -116.924
flat angles C4'-P-C4' energy: -122.192
flat angles P-C4'-P energy: -75.813
tors. eta vs tors. theta energy: -36.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -862.063468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.063468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.063468 (E_RNA)
where:
Base-Base interactions energy: -406.903
where: short stacking energy: -276.901
Base-Backbone interact. energy: -0.258
local terms energy: -454.902212
where:
bonds (distance) C4'-P energy: -108.208
bonds (distance) P-C4' energy: -136.078
flat angles C4'-P-C4' energy: -117.855
flat angles P-C4'-P energy: -84.729
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -706.120893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.120893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.120893 (E_RNA)
where:
Base-Base interactions energy: -268.283
where: short stacking energy: -177.542
Base-Backbone interact. energy: -1.070
local terms energy: -436.767810
where:
bonds (distance) C4'-P energy: -126.344
bonds (distance) P-C4' energy: -137.884
flat angles C4'-P-C4' energy: -101.141
flat angles P-C4'-P energy: -64.549
tors. eta vs tors. theta energy: -6.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -659.488516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.488516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.488516 (E_RNA)
where:
Base-Base interactions energy: -290.902
where: short stacking energy: -207.505
Base-Backbone interact. energy: 1.535
local terms energy: -370.121706
where:
bonds (distance) C4'-P energy: -118.661
bonds (distance) P-C4' energy: -126.253
flat angles C4'-P-C4' energy: -85.912
flat angles P-C4'-P energy: -47.144
tors. eta vs tors. theta energy: 7.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1852.055607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.055607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.055607 (E_RNA)
where:
Base-Base interactions energy: -1150.916
where: short stacking energy: -629.871
Base-Backbone interact. energy: -1.474
local terms energy: -699.665244
where:
bonds (distance) C4'-P energy: -150.885
bonds (distance) P-C4' energy: -135.482
flat angles C4'-P-C4' energy: -146.564
flat angles P-C4'-P energy: -107.660
tors. eta vs tors. theta energy: -159.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1412.455407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.455407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.455407 (E_RNA)
where:
Base-Base interactions energy: -774.436
where: short stacking energy: -470.189
Base-Backbone interact. energy: -4.410
local terms energy: -633.609498
where:
bonds (distance) C4'-P energy: -144.051
bonds (distance) P-C4' energy: -141.042
flat angles C4'-P-C4' energy: -149.396
flat angles P-C4'-P energy: -95.713
tors. eta vs tors. theta energy: -103.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1501.474513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.474513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.474513 (E_RNA)
where:
Base-Base interactions energy: -876.327
where: short stacking energy: -522.732
Base-Backbone interact. energy: 0.776
local terms energy: -625.923780
where:
bonds (distance) C4'-P energy: -135.218
bonds (distance) P-C4' energy: -156.441
flat angles C4'-P-C4' energy: -137.469
flat angles P-C4'-P energy: -79.274
tors. eta vs tors. theta energy: -117.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1312.275636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.275636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.275636 (E_RNA)
where:
Base-Base interactions energy: -707.110
where: short stacking energy: -401.990
Base-Backbone interact. energy: -2.961
local terms energy: -602.205175
where:
bonds (distance) C4'-P energy: -144.657
bonds (distance) P-C4' energy: -156.870
flat angles C4'-P-C4' energy: -124.471
flat angles P-C4'-P energy: -104.118
tors. eta vs tors. theta energy: -72.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1254.032395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.032395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.032395 (E_RNA)
where:
Base-Base interactions energy: -709.777
where: short stacking energy: -368.394
Base-Backbone interact. energy: -1.621
local terms energy: -542.634362
where:
bonds (distance) C4'-P energy: -130.801
bonds (distance) P-C4' energy: -138.570
flat angles C4'-P-C4' energy: -144.743
flat angles P-C4'-P energy: -73.836
tors. eta vs tors. theta energy: -54.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1271.070140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.070140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.070140 (E_RNA)
where:
Base-Base interactions energy: -729.393
where: short stacking energy: -353.387
Base-Backbone interact. energy: -2.528
local terms energy: -539.149696
where:
bonds (distance) C4'-P energy: -123.391
bonds (distance) P-C4' energy: -140.422
flat angles C4'-P-C4' energy: -119.732
flat angles P-C4'-P energy: -88.712
tors. eta vs tors. theta energy: -66.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -982.264573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.264573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.264573 (E_RNA)
where:
Base-Base interactions energy: -491.184
where: short stacking energy: -319.185
Base-Backbone interact. energy: -2.066
local terms energy: -489.014724
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -112.205
flat angles C4'-P-C4' energy: -117.691
flat angles P-C4'-P energy: -73.170
tors. eta vs tors. theta energy: -55.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -822.038987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.038987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.038987 (E_RNA)
where:
Base-Base interactions energy: -394.313
where: short stacking energy: -262.296
Base-Backbone interact. energy: -0.454
local terms energy: -427.271865
where:
bonds (distance) C4'-P energy: -113.925
bonds (distance) P-C4' energy: -132.060
flat angles C4'-P-C4' energy: -96.250
flat angles P-C4'-P energy: -74.201
tors. eta vs tors. theta energy: -10.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -740.382353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.382353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.382353 (E_RNA)
where:
Base-Base interactions energy: -372.207
where: short stacking energy: -230.254
Base-Backbone interact. energy: -0.469
local terms energy: -367.706305
where:
bonds (distance) C4'-P energy: -104.273
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -100.042
flat angles P-C4'-P energy: -54.010
tors. eta vs tors. theta energy: 3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -668.497377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.497377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.497377 (E_RNA)
where:
Base-Base interactions energy: -289.665
where: short stacking energy: -163.552
Base-Backbone interact. energy: -0.188
local terms energy: -378.644436
where:
bonds (distance) C4'-P energy: -116.573
bonds (distance) P-C4' energy: -142.985
flat angles C4'-P-C4' energy: -94.322
flat angles P-C4'-P energy: -56.829
tors. eta vs tors. theta energy: 32.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1861.535216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.535216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.535216 (E_RNA)
where:
Base-Base interactions energy: -1165.955
where: short stacking energy: -625.800
Base-Backbone interact. energy: -4.083
local terms energy: -691.497953
where:
bonds (distance) C4'-P energy: -138.787
bonds (distance) P-C4' energy: -158.122
flat angles C4'-P-C4' energy: -146.506
flat angles P-C4'-P energy: -89.465
tors. eta vs tors. theta energy: -158.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1640.186197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.186197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.186197 (E_RNA)
where:
Base-Base interactions energy: -983.369
where: short stacking energy: -531.638
Base-Backbone interact. energy: -2.598
local terms energy: -654.219847
where:
bonds (distance) C4'-P energy: -149.705
bonds (distance) P-C4' energy: -144.950
flat angles C4'-P-C4' energy: -142.671
flat angles P-C4'-P energy: -95.615
tors. eta vs tors. theta energy: -121.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1424.263304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.263304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.263304 (E_RNA)
where:
Base-Base interactions energy: -774.524
where: short stacking energy: -503.894
Base-Backbone interact. energy: 3.943
local terms energy: -653.682672
where:
bonds (distance) C4'-P energy: -126.869
bonds (distance) P-C4' energy: -143.876
flat angles C4'-P-C4' energy: -151.283
flat angles P-C4'-P energy: -96.708
tors. eta vs tors. theta energy: -134.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1423.197414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.197414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.197414 (E_RNA)
where:
Base-Base interactions energy: -829.057
where: short stacking energy: -455.030
Base-Backbone interact. energy: 1.413
local terms energy: -595.553471
where:
bonds (distance) C4'-P energy: -127.403
bonds (distance) P-C4' energy: -144.845
flat angles C4'-P-C4' energy: -124.083
flat angles P-C4'-P energy: -80.991
tors. eta vs tors. theta energy: -118.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1237.514095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.514095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.514095 (E_RNA)
where:
Base-Base interactions energy: -679.709
where: short stacking energy: -371.817
Base-Backbone interact. energy: -1.744
local terms energy: -556.060472
where:
bonds (distance) C4'-P energy: -124.412
bonds (distance) P-C4' energy: -145.998
flat angles C4'-P-C4' energy: -139.035
flat angles P-C4'-P energy: -67.784
tors. eta vs tors. theta energy: -78.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1272.048859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.048859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.048859 (E_RNA)
where:
Base-Base interactions energy: -731.718
where: short stacking energy: -388.636
Base-Backbone interact. energy: 1.445
local terms energy: -541.775646
where:
bonds (distance) C4'-P energy: -132.538
bonds (distance) P-C4' energy: -133.420
flat angles C4'-P-C4' energy: -122.992
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -74.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -992.960070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.960070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.960070 (E_RNA)
where:
Base-Base interactions energy: -522.844
where: short stacking energy: -309.052
Base-Backbone interact. energy: 1.147
local terms energy: -471.262958
where:
bonds (distance) C4'-P energy: -131.477
bonds (distance) P-C4' energy: -113.943
flat angles C4'-P-C4' energy: -118.723
flat angles P-C4'-P energy: -72.637
tors. eta vs tors. theta energy: -34.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -884.904711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.904711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.904711 (E_RNA)
where:
Base-Base interactions energy: -448.678
where: short stacking energy: -271.586
Base-Backbone interact. energy: -0.599
local terms energy: -435.627871
where:
bonds (distance) C4'-P energy: -125.499
bonds (distance) P-C4' energy: -129.497
flat angles C4'-P-C4' energy: -115.319
flat angles P-C4'-P energy: -65.451
tors. eta vs tors. theta energy: 0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -782.629555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.629555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.629555 (E_RNA)
where:
Base-Base interactions energy: -347.194
where: short stacking energy: -212.503
Base-Backbone interact. energy: -0.639
local terms energy: -434.796617
where:
bonds (distance) C4'-P energy: -126.402
bonds (distance) P-C4' energy: -130.762
flat angles C4'-P-C4' energy: -114.472
flat angles P-C4'-P energy: -47.790
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -673.694134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.694134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.694134 (E_RNA)
where:
Base-Base interactions energy: -292.152
where: short stacking energy: -175.323
Base-Backbone interact. energy: 5.222
local terms energy: -386.763843
where:
bonds (distance) C4'-P energy: -103.462
bonds (distance) P-C4' energy: -115.685
flat angles C4'-P-C4' energy: -95.569
flat angles P-C4'-P energy: -71.903
tors. eta vs tors. theta energy: -0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1884.939156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.939156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.939156 (E_RNA)
where:
Base-Base interactions energy: -1167.222
where: short stacking energy: -585.720
Base-Backbone interact. energy: -2.856
local terms energy: -714.861762
where:
bonds (distance) C4'-P energy: -157.340
bonds (distance) P-C4' energy: -157.236
flat angles C4'-P-C4' energy: -155.112
flat angles P-C4'-P energy: -95.017
tors. eta vs tors. theta energy: -150.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1749.159325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.159325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.159325 (E_RNA)
where:
Base-Base interactions energy: -1056.200
where: short stacking energy: -602.762
Base-Backbone interact. energy: 0.692
local terms energy: -693.650833
where:
bonds (distance) C4'-P energy: -139.451
bonds (distance) P-C4' energy: -138.360
flat angles C4'-P-C4' energy: -157.371
flat angles P-C4'-P energy: -97.710
tors. eta vs tors. theta energy: -160.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1603.579463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.579463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.579463 (E_RNA)
where:
Base-Base interactions energy: -926.497
where: short stacking energy: -529.606
Base-Backbone interact. energy: 7.575
local terms energy: -684.657477
where:
bonds (distance) C4'-P energy: -131.546
bonds (distance) P-C4' energy: -145.503
flat angles C4'-P-C4' energy: -146.226
flat angles P-C4'-P energy: -110.536
tors. eta vs tors. theta energy: -150.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1271.982570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.982570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.982570 (E_RNA)
where:
Base-Base interactions energy: -665.404
where: short stacking energy: -417.485
Base-Backbone interact. energy: -0.840
local terms energy: -605.738180
where:
bonds (distance) C4'-P energy: -144.879
bonds (distance) P-C4' energy: -158.815
flat angles C4'-P-C4' energy: -135.535
flat angles P-C4'-P energy: -85.041
tors. eta vs tors. theta energy: -81.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1432.618843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.618843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.618843 (E_RNA)
where:
Base-Base interactions energy: -878.316
where: short stacking energy: -442.154
Base-Backbone interact. energy: -5.000
local terms energy: -549.303340
where:
bonds (distance) C4'-P energy: -105.920
bonds (distance) P-C4' energy: -137.246
flat angles C4'-P-C4' energy: -126.689
flat angles P-C4'-P energy: -82.068
tors. eta vs tors. theta energy: -97.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1188.988518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.988518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.988518 (E_RNA)
where:
Base-Base interactions energy: -647.092
where: short stacking energy: -366.204
Base-Backbone interact. energy: -2.447
local terms energy: -539.449262
where:
bonds (distance) C4'-P energy: -128.602
bonds (distance) P-C4' energy: -143.978
flat angles C4'-P-C4' energy: -123.090
flat angles P-C4'-P energy: -80.946
tors. eta vs tors. theta energy: -62.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -997.511636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.511636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.511636 (E_RNA)
where:
Base-Base interactions energy: -531.972
where: short stacking energy: -304.282
Base-Backbone interact. energy: 1.772
local terms energy: -467.312116
where:
bonds (distance) C4'-P energy: -132.729
bonds (distance) P-C4' energy: -123.475
flat angles C4'-P-C4' energy: -116.409
flat angles P-C4'-P energy: -58.643
tors. eta vs tors. theta energy: -36.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -884.389524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.389524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.389524 (E_RNA)
where:
Base-Base interactions energy: -438.462
where: short stacking energy: -265.268
Base-Backbone interact. energy: -3.790
local terms energy: -442.137984
where:
bonds (distance) C4'-P energy: -124.950
bonds (distance) P-C4' energy: -110.609
flat angles C4'-P-C4' energy: -119.821
flat angles P-C4'-P energy: -62.725
tors. eta vs tors. theta energy: -24.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -768.520503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.520503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.520503 (E_RNA)
where:
Base-Base interactions energy: -350.209
where: short stacking energy: -234.025
Base-Backbone interact. energy: 1.991
local terms energy: -420.302640
where:
bonds (distance) C4'-P energy: -97.029
bonds (distance) P-C4' energy: -125.471
flat angles C4'-P-C4' energy: -105.124
flat angles P-C4'-P energy: -80.493
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -763.513540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.513540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.513540 (E_RNA)
where:
Base-Base interactions energy: -418.598
where: short stacking energy: -222.801
Base-Backbone interact. energy: -0.162
local terms energy: -344.753071
where:
bonds (distance) C4'-P energy: -96.638
bonds (distance) P-C4' energy: -119.592
flat angles C4'-P-C4' energy: -101.409
flat angles P-C4'-P energy: -50.598
tors. eta vs tors. theta energy: 23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1858.657224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.657224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.657224 (E_RNA)
where:
Base-Base interactions energy: -1134.232
where: short stacking energy: -590.656
Base-Backbone interact. energy: -2.340
local terms energy: -722.085164
where:
bonds (distance) C4'-P energy: -152.675
bonds (distance) P-C4' energy: -153.799
flat angles C4'-P-C4' energy: -158.925
flat angles P-C4'-P energy: -105.241
tors. eta vs tors. theta energy: -151.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1792.915811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.915811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.915811 (E_RNA)
where:
Base-Base interactions energy: -1072.428
where: short stacking energy: -593.859
Base-Backbone interact. energy: -0.060
local terms energy: -720.427681
where:
bonds (distance) C4'-P energy: -145.232
bonds (distance) P-C4' energy: -149.374
flat angles C4'-P-C4' energy: -162.322
flat angles P-C4'-P energy: -101.263
tors. eta vs tors. theta energy: -162.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1639.285054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.285054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.285054 (E_RNA)
where:
Base-Base interactions energy: -969.881
where: short stacking energy: -562.892
Base-Backbone interact. energy: -1.084
local terms energy: -668.319719
where:
bonds (distance) C4'-P energy: -124.827
bonds (distance) P-C4' energy: -153.019
flat angles C4'-P-C4' energy: -155.567
flat angles P-C4'-P energy: -88.300
tors. eta vs tors. theta energy: -146.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1597.687035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.687035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.687035 (E_RNA)
where:
Base-Base interactions energy: -964.482
where: short stacking energy: -505.156
Base-Backbone interact. energy: -1.166
local terms energy: -632.039418
where:
bonds (distance) C4'-P energy: -138.560
bonds (distance) P-C4' energy: -128.099
flat angles C4'-P-C4' energy: -153.693
flat angles P-C4'-P energy: -99.756
tors. eta vs tors. theta energy: -111.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1142.194230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.194230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.194230 (E_RNA)
where:
Base-Base interactions energy: -583.264
where: short stacking energy: -394.067
Base-Backbone interact. energy: -1.699
local terms energy: -557.231173
where:
bonds (distance) C4'-P energy: -123.931
bonds (distance) P-C4' energy: -141.008
flat angles C4'-P-C4' energy: -133.461
flat angles P-C4'-P energy: -87.429
tors. eta vs tors. theta energy: -71.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1242.129535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.129535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.129535 (E_RNA)
where:
Base-Base interactions energy: -715.800
where: short stacking energy: -378.116
Base-Backbone interact. energy: -1.699
local terms energy: -524.630569
where:
bonds (distance) C4'-P energy: -121.127
bonds (distance) P-C4' energy: -142.106
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -57.859
tors. eta vs tors. theta energy: -83.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1043.407318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.407318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.407318 (E_RNA)
where:
Base-Base interactions energy: -575.967
where: short stacking energy: -308.418
Base-Backbone interact. energy: 3.902
local terms energy: -471.342303
where:
bonds (distance) C4'-P energy: -113.630
bonds (distance) P-C4' energy: -127.745
flat angles C4'-P-C4' energy: -121.703
flat angles P-C4'-P energy: -66.725
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -887.024499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.024499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.024499 (E_RNA)
where:
Base-Base interactions energy: -463.568
where: short stacking energy: -263.563
Base-Backbone interact. energy: -0.048
local terms energy: -423.407845
where:
bonds (distance) C4'-P energy: -114.578
bonds (distance) P-C4' energy: -102.387
flat angles C4'-P-C4' energy: -122.456
flat angles P-C4'-P energy: -75.859
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -799.217399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.217399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.217399 (E_RNA)
where:
Base-Base interactions energy: -361.724
where: short stacking energy: -230.808
Base-Backbone interact. energy: -2.324
local terms energy: -435.169672
where:
bonds (distance) C4'-P energy: -120.275
bonds (distance) P-C4' energy: -146.063
flat angles C4'-P-C4' energy: -97.620
flat angles P-C4'-P energy: -68.939
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -819.368053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.368053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.368053 (E_RNA)
where:
Base-Base interactions energy: -429.718
where: short stacking energy: -251.179
Base-Backbone interact. energy: -1.000
local terms energy: -388.650224
where:
bonds (distance) C4'-P energy: -129.141
bonds (distance) P-C4' energy: -95.457
flat angles C4'-P-C4' energy: -102.531
flat angles P-C4'-P energy: -60.095
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1855.730478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.730478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.730478 (E_RNA)
where:
Base-Base interactions energy: -1163.719
where: short stacking energy: -582.713
Base-Backbone interact. energy: -3.833
local terms energy: -688.178276
where:
bonds (distance) C4'-P energy: -136.874
bonds (distance) P-C4' energy: -148.780
flat angles C4'-P-C4' energy: -153.450
flat angles P-C4'-P energy: -104.709
tors. eta vs tors. theta energy: -144.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1722.779979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.779979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.779979 (E_RNA)
where:
Base-Base interactions energy: -1054.866
where: short stacking energy: -542.651
Base-Backbone interact. energy: 3.992
local terms energy: -671.905561
where:
bonds (distance) C4'-P energy: -153.644
bonds (distance) P-C4' energy: -147.853
flat angles C4'-P-C4' energy: -145.360
flat angles P-C4'-P energy: -87.322
tors. eta vs tors. theta energy: -137.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1606.640764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.640764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.640764 (E_RNA)
where:
Base-Base interactions energy: -979.502
where: short stacking energy: -525.054
Base-Backbone interact. energy: -1.461
local terms energy: -625.677852
where:
bonds (distance) C4'-P energy: -138.254
bonds (distance) P-C4' energy: -120.088
flat angles C4'-P-C4' energy: -141.750
flat angles P-C4'-P energy: -91.932
tors. eta vs tors. theta energy: -133.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1619.097321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.097321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.097321 (E_RNA)
where:
Base-Base interactions energy: -1011.326
where: short stacking energy: -490.715
Base-Backbone interact. energy: -2.601
local terms energy: -605.169749
where:
bonds (distance) C4'-P energy: -121.184
bonds (distance) P-C4' energy: -131.783
flat angles C4'-P-C4' energy: -147.374
flat angles P-C4'-P energy: -93.534
tors. eta vs tors. theta energy: -111.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1342.494576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.494576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.494576 (E_RNA)
where:
Base-Base interactions energy: -759.214
where: short stacking energy: -424.338
Base-Backbone interact. energy: 1.057
local terms energy: -584.337538
where:
bonds (distance) C4'-P energy: -153.957
bonds (distance) P-C4' energy: -137.226
flat angles C4'-P-C4' energy: -121.190
flat angles P-C4'-P energy: -78.739
tors. eta vs tors. theta energy: -93.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1091.555213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.555213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.555213 (E_RNA)
where:
Base-Base interactions energy: -540.818
where: short stacking energy: -374.977
Base-Backbone interact. energy: 0.730
local terms energy: -551.467330
where:
bonds (distance) C4'-P energy: -136.196
bonds (distance) P-C4' energy: -123.186
flat angles C4'-P-C4' energy: -135.699
flat angles P-C4'-P energy: -81.916
tors. eta vs tors. theta energy: -74.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1054.743675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.743675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.743675 (E_RNA)
where:
Base-Base interactions energy: -602.015
where: short stacking energy: -331.282
Base-Backbone interact. energy: -2.067
local terms energy: -450.661375
where:
bonds (distance) C4'-P energy: -112.093
bonds (distance) P-C4' energy: -122.894
flat angles C4'-P-C4' energy: -127.405
flat angles P-C4'-P energy: -49.995
tors. eta vs tors. theta energy: -38.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -932.894158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.894158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.894158 (E_RNA)
where:
Base-Base interactions energy: -482.745
where: short stacking energy: -281.212
Base-Backbone interact. energy: -1.395
local terms energy: -448.754043
where:
bonds (distance) C4'-P energy: -137.327
bonds (distance) P-C4' energy: -130.711
flat angles C4'-P-C4' energy: -110.783
flat angles P-C4'-P energy: -62.735
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -819.854924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.854924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.854924 (E_RNA)
where:
Base-Base interactions energy: -393.032
where: short stacking energy: -257.462
Base-Backbone interact. energy: -0.733
local terms energy: -426.090344
where:
bonds (distance) C4'-P energy: -117.407
bonds (distance) P-C4' energy: -121.617
flat angles C4'-P-C4' energy: -115.626
flat angles P-C4'-P energy: -53.226
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -796.078755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.078755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.078755 (E_RNA)
where:
Base-Base interactions energy: -366.167
where: short stacking energy: -243.570
Base-Backbone interact. energy: 7.460
local terms energy: -437.371043
where:
bonds (distance) C4'-P energy: -129.666
bonds (distance) P-C4' energy: -125.798
flat angles C4'-P-C4' energy: -99.201
flat angles P-C4'-P energy: -66.170
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1911.065031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.065031 (E_RNA)
where:
Base-Base interactions energy: -1226.538
where: short stacking energy: -625.142
Base-Backbone interact. energy: -3.085
local terms energy: -681.441508
where:
bonds (distance) C4'-P energy: -110.242
bonds (distance) P-C4' energy: -154.689
flat angles C4'-P-C4' energy: -159.587
flat angles P-C4'-P energy: -99.502
tors. eta vs tors. theta energy: -157.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1758.053608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.053608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.053608 (E_RNA)
where:
Base-Base interactions energy: -1093.517
where: short stacking energy: -601.284
Base-Backbone interact. energy: 3.246
local terms energy: -667.782824
where:
bonds (distance) C4'-P energy: -140.486
bonds (distance) P-C4' energy: -136.679
flat angles C4'-P-C4' energy: -151.804
flat angles P-C4'-P energy: -91.171
tors. eta vs tors. theta energy: -147.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1614.576176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.576176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.576176 (E_RNA)
where:
Base-Base interactions energy: -972.848
where: short stacking energy: -529.378
Base-Backbone interact. energy: -1.865
local terms energy: -639.862709
where:
bonds (distance) C4'-P energy: -138.786
bonds (distance) P-C4' energy: -146.223
flat angles C4'-P-C4' energy: -143.534
flat angles P-C4'-P energy: -94.399
tors. eta vs tors. theta energy: -116.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1625.039209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.039209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.039209 (E_RNA)
where:
Base-Base interactions energy: -1012.216
where: short stacking energy: -491.706
Base-Backbone interact. energy: -0.749
local terms energy: -612.074617
where:
bonds (distance) C4'-P energy: -141.319
bonds (distance) P-C4' energy: -125.985
flat angles C4'-P-C4' energy: -138.673
flat angles P-C4'-P energy: -88.369
tors. eta vs tors. theta energy: -117.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1293.608735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.608735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.608735 (E_RNA)
where:
Base-Base interactions energy: -722.300
where: short stacking energy: -400.018
Base-Backbone interact. energy: -0.571
local terms energy: -570.737529
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -127.372
flat angles C4'-P-C4' energy: -128.426
flat angles P-C4'-P energy: -86.756
tors. eta vs tors. theta energy: -93.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1169.218824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.218824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.218824 (E_RNA)
where:
Base-Base interactions energy: -660.849
where: short stacking energy: -309.852
Base-Backbone interact. energy: -2.514
local terms energy: -505.855427
where:
bonds (distance) C4'-P energy: -135.336
bonds (distance) P-C4' energy: -134.619
flat angles C4'-P-C4' energy: -114.818
flat angles P-C4'-P energy: -82.940
tors. eta vs tors. theta energy: -38.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -972.626530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.626530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.626530 (E_RNA)
where:
Base-Base interactions energy: -538.323
where: short stacking energy: -330.867
Base-Backbone interact. energy: 0.706
local terms energy: -435.009306
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -124.287
flat angles C4'-P-C4' energy: -125.401
flat angles P-C4'-P energy: -62.872
tors. eta vs tors. theta energy: -33.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1004.737826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.737826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.737826 (E_RNA)
where:
Base-Base interactions energy: -573.911
where: short stacking energy: -321.716
Base-Backbone interact. energy: 1.525
local terms energy: -432.351788
where:
bonds (distance) C4'-P energy: -109.224
bonds (distance) P-C4' energy: -122.331
flat angles C4'-P-C4' energy: -100.268
flat angles P-C4'-P energy: -61.981
tors. eta vs tors. theta energy: -38.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -883.508120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.508120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.508120 (E_RNA)
where:
Base-Base interactions energy: -439.079
where: short stacking energy: -227.893
Base-Backbone interact. energy: -5.129
local terms energy: -439.300666
where:
bonds (distance) C4'-P energy: -125.022
bonds (distance) P-C4' energy: -123.497
flat angles C4'-P-C4' energy: -107.236
flat angles P-C4'-P energy: -90.606
tors. eta vs tors. theta energy: 7.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -724.981298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.981298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.981298 (E_RNA)
where:
Base-Base interactions energy: -348.672
where: short stacking energy: -212.240
Base-Backbone interact. energy: 0.302
local terms energy: -376.611171
where:
bonds (distance) C4'-P energy: -108.752
bonds (distance) P-C4' energy: -110.811
flat angles C4'-P-C4' energy: -101.300
flat angles P-C4'-P energy: -65.206
tors. eta vs tors. theta energy: 9.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1972.777861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.777861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.777861 (E_RNA)
where:
Base-Base interactions energy: -1247.188
where: short stacking energy: -645.207
Base-Backbone interact. energy: -2.946
local terms energy: -722.643820
where:
bonds (distance) C4'-P energy: -143.429
bonds (distance) P-C4' energy: -146.826
flat angles C4'-P-C4' energy: -168.749
flat angles P-C4'-P energy: -99.616
tors. eta vs tors. theta energy: -164.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1758.172327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.172327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.172327 (E_RNA)
where:
Base-Base interactions energy: -1068.066
where: short stacking energy: -577.440
Base-Backbone interact. energy: -0.844
local terms energy: -689.262720
where:
bonds (distance) C4'-P energy: -135.840
bonds (distance) P-C4' energy: -150.594
flat angles C4'-P-C4' energy: -150.370
flat angles P-C4'-P energy: -98.568
tors. eta vs tors. theta energy: -153.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1765.012439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.012439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.012439 (E_RNA)
where:
Base-Base interactions energy: -1130.823
where: short stacking energy: -535.357
Base-Backbone interact. energy: -2.129
local terms energy: -632.061250
where:
bonds (distance) C4'-P energy: -129.548
bonds (distance) P-C4' energy: -133.606
flat angles C4'-P-C4' energy: -145.411
flat angles P-C4'-P energy: -75.789
tors. eta vs tors. theta energy: -147.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1611.959175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.959175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.959175 (E_RNA)
where:
Base-Base interactions energy: -973.351
where: short stacking energy: -488.465
Base-Backbone interact. energy: -1.963
local terms energy: -636.644517
where:
bonds (distance) C4'-P energy: -134.435
bonds (distance) P-C4' energy: -146.739
flat angles C4'-P-C4' energy: -133.853
flat angles P-C4'-P energy: -89.694
tors. eta vs tors. theta energy: -131.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1335.225847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.225847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.225847 (E_RNA)
where:
Base-Base interactions energy: -766.273
where: short stacking energy: -417.735
Base-Backbone interact. energy: -1.372
local terms energy: -567.581411
where:
bonds (distance) C4'-P energy: -123.010
bonds (distance) P-C4' energy: -122.836
flat angles C4'-P-C4' energy: -137.933
flat angles P-C4'-P energy: -90.408
tors. eta vs tors. theta energy: -93.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1169.829608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.829608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.829608 (E_RNA)
where:
Base-Base interactions energy: -680.566
where: short stacking energy: -395.427
Base-Backbone interact. energy: -1.228
local terms energy: -488.035118
where:
bonds (distance) C4'-P energy: -114.563
bonds (distance) P-C4' energy: -111.945
flat angles C4'-P-C4' energy: -134.879
flat angles P-C4'-P energy: -66.124
tors. eta vs tors. theta energy: -60.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1091.268083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.268083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.268083 (E_RNA)
where:
Base-Base interactions energy: -590.846
where: short stacking energy: -306.544
Base-Backbone interact. energy: 3.593
local terms energy: -504.015003
where:
bonds (distance) C4'-P energy: -135.811
bonds (distance) P-C4' energy: -133.323
flat angles C4'-P-C4' energy: -123.792
flat angles P-C4'-P energy: -78.732
tors. eta vs tors. theta energy: -32.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -874.368162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.368162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.368162 (E_RNA)
where:
Base-Base interactions energy: -430.315
where: short stacking energy: -257.904
Base-Backbone interact. energy: -1.498
local terms energy: -442.555362
where:
bonds (distance) C4'-P energy: -129.656
bonds (distance) P-C4' energy: -119.431
flat angles C4'-P-C4' energy: -98.713
flat angles P-C4'-P energy: -79.941
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -969.341348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.341348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.341348 (E_RNA)
where:
Base-Base interactions energy: -544.394
where: short stacking energy: -285.714
Base-Backbone interact. energy: 1.976
local terms energy: -426.923883
where:
bonds (distance) C4'-P energy: -106.101
bonds (distance) P-C4' energy: -122.168
flat angles C4'-P-C4' energy: -130.139
flat angles P-C4'-P energy: -58.924
tors. eta vs tors. theta energy: -9.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -730.518478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.518478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.518478 (E_RNA)
where:
Base-Base interactions energy: -345.858
where: short stacking energy: -186.791
Base-Backbone interact. energy: 1.230
local terms energy: -385.890550
where:
bonds (distance) C4'-P energy: -116.007
bonds (distance) P-C4' energy: -128.767
flat angles C4'-P-C4' energy: -103.774
flat angles P-C4'-P energy: -48.888
tors. eta vs tors. theta energy: 11.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1980.681748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.681748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.681748 (E_RNA)
where:
Base-Base interactions energy: -1216.790
where: short stacking energy: -657.430
Base-Backbone interact. energy: -1.669
local terms energy: -762.223114
where:
bonds (distance) C4'-P energy: -144.483
bonds (distance) P-C4' energy: -160.633
flat angles C4'-P-C4' energy: -166.050
flat angles P-C4'-P energy: -114.654
tors. eta vs tors. theta energy: -176.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1886.736912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.736912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.736912 (E_RNA)
where:
Base-Base interactions energy: -1193.834
where: short stacking energy: -572.575
Base-Backbone interact. energy: -0.681
local terms energy: -692.222347
where:
bonds (distance) C4'-P energy: -149.173
bonds (distance) P-C4' energy: -148.058
flat angles C4'-P-C4' energy: -158.642
flat angles P-C4'-P energy: -89.919
tors. eta vs tors. theta energy: -146.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1739.566884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.566884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.566884 (E_RNA)
where:
Base-Base interactions energy: -1078.290
where: short stacking energy: -537.725
Base-Backbone interact. energy: 0.150
local terms energy: -661.426711
where:
bonds (distance) C4'-P energy: -136.167
bonds (distance) P-C4' energy: -143.091
flat angles C4'-P-C4' energy: -141.559
flat angles P-C4'-P energy: -98.780
tors. eta vs tors. theta energy: -141.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1686.146555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.146555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.146555 (E_RNA)
where:
Base-Base interactions energy: -1019.923
where: short stacking energy: -518.516
Base-Backbone interact. energy: -2.723
local terms energy: -663.500308
where:
bonds (distance) C4'-P energy: -150.110
bonds (distance) P-C4' energy: -134.469
flat angles C4'-P-C4' energy: -152.418
flat angles P-C4'-P energy: -92.872
tors. eta vs tors. theta energy: -133.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1316.488573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.488573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.488573 (E_RNA)
where:
Base-Base interactions energy: -733.307
where: short stacking energy: -382.562
Base-Backbone interact. energy: -0.322
local terms energy: -582.860003
where:
bonds (distance) C4'-P energy: -142.942
bonds (distance) P-C4' energy: -123.290
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -96.538
tors. eta vs tors. theta energy: -88.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1310.023351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.023351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.023351 (E_RNA)
where:
Base-Base interactions energy: -762.151
where: short stacking energy: -430.848
Base-Backbone interact. energy: -0.863
local terms energy: -547.009464
where:
bonds (distance) C4'-P energy: -119.193
bonds (distance) P-C4' energy: -131.514
flat angles C4'-P-C4' energy: -122.225
flat angles P-C4'-P energy: -72.630
tors. eta vs tors. theta energy: -101.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1140.321483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.321483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.321483 (E_RNA)
where:
Base-Base interactions energy: -625.072
where: short stacking energy: -350.196
Base-Backbone interact. energy: -0.954
local terms energy: -514.295376
where:
bonds (distance) C4'-P energy: -134.791
bonds (distance) P-C4' energy: -136.192
flat angles C4'-P-C4' energy: -116.677
flat angles P-C4'-P energy: -72.041
tors. eta vs tors. theta energy: -54.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -985.409229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.409229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.409229 (E_RNA)
where:
Base-Base interactions energy: -556.798
where: short stacking energy: -259.295
Base-Backbone interact. energy: 2.596
local terms energy: -431.207366
where:
bonds (distance) C4'-P energy: -119.120
bonds (distance) P-C4' energy: -115.766
flat angles C4'-P-C4' energy: -115.228
flat angles P-C4'-P energy: -64.059
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -844.139453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.139453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.139453 (E_RNA)
where:
Base-Base interactions energy: -440.914
where: short stacking energy: -238.361
Base-Backbone interact. energy: 1.438
local terms energy: -404.663676
where:
bonds (distance) C4'-P energy: -127.591
bonds (distance) P-C4' energy: -100.780
flat angles C4'-P-C4' energy: -103.291
flat angles P-C4'-P energy: -63.793
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -669.733840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.733840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.733840 (E_RNA)
where:
Base-Base interactions energy: -303.848
where: short stacking energy: -193.371
Base-Backbone interact. energy: 3.656
local terms energy: -369.541676
where:
bonds (distance) C4'-P energy: -116.189
bonds (distance) P-C4' energy: -122.459
flat angles C4'-P-C4' energy: -105.651
flat angles P-C4'-P energy: -52.413
tors. eta vs tors. theta energy: 27.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2053.762391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.762391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.762391 (E_RNA)
where:
Base-Base interactions energy: -1322.176
where: short stacking energy: -639.218
Base-Backbone interact. energy: -1.135
local terms energy: -730.451193
where:
bonds (distance) C4'-P energy: -150.966
bonds (distance) P-C4' energy: -151.739
flat angles C4'-P-C4' energy: -156.027
flat angles P-C4'-P energy: -96.785
tors. eta vs tors. theta energy: -174.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1902.748847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.748847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.748847 (E_RNA)
where:
Base-Base interactions energy: -1225.579
where: short stacking energy: -605.323
Base-Backbone interact. energy: -5.119
local terms energy: -672.051238
where:
bonds (distance) C4'-P energy: -140.918
bonds (distance) P-C4' energy: -132.382
flat angles C4'-P-C4' energy: -161.848
flat angles P-C4'-P energy: -89.218
tors. eta vs tors. theta energy: -147.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1745.991729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.991729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.991729 (E_RNA)
where:
Base-Base interactions energy: -1077.571
where: short stacking energy: -566.427
Base-Backbone interact. energy: 2.310
local terms energy: -670.730781
where:
bonds (distance) C4'-P energy: -127.698
bonds (distance) P-C4' energy: -140.998
flat angles C4'-P-C4' energy: -151.059
flat angles P-C4'-P energy: -102.605
tors. eta vs tors. theta energy: -148.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1684.419120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.419120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.419120 (E_RNA)
where:
Base-Base interactions energy: -1045.488
where: short stacking energy: -504.538
Base-Backbone interact. energy: -1.319
local terms energy: -637.611192
where:
bonds (distance) C4'-P energy: -138.697
bonds (distance) P-C4' energy: -148.290
flat angles C4'-P-C4' energy: -158.816
flat angles P-C4'-P energy: -70.024
tors. eta vs tors. theta energy: -121.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1314.077463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.077463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.077463 (E_RNA)
where:
Base-Base interactions energy: -741.393
where: short stacking energy: -401.225
Base-Backbone interact. energy: 1.156
local terms energy: -573.840483
where:
bonds (distance) C4'-P energy: -133.195
bonds (distance) P-C4' energy: -140.364
flat angles C4'-P-C4' energy: -138.353
flat angles P-C4'-P energy: -77.109
tors. eta vs tors. theta energy: -84.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1198.365747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.365747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.365747 (E_RNA)
where:
Base-Base interactions energy: -656.068
where: short stacking energy: -361.798
Base-Backbone interact. energy: 2.856
local terms energy: -545.154175
where:
bonds (distance) C4'-P energy: -124.669
bonds (distance) P-C4' energy: -145.727
flat angles C4'-P-C4' energy: -121.584
flat angles P-C4'-P energy: -81.827
tors. eta vs tors. theta energy: -71.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1182.465977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.465977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.465977 (E_RNA)
where:
Base-Base interactions energy: -694.119
where: short stacking energy: -358.420
Base-Backbone interact. energy: -2.296
local terms energy: -486.051421
where:
bonds (distance) C4'-P energy: -123.773
bonds (distance) P-C4' energy: -128.278
flat angles C4'-P-C4' energy: -109.875
flat angles P-C4'-P energy: -64.514
tors. eta vs tors. theta energy: -59.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -960.927152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.927152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.927152 (E_RNA)
where:
Base-Base interactions energy: -491.007
where: short stacking energy: -273.366
Base-Backbone interact. energy: -0.769
local terms energy: -469.151502
where:
bonds (distance) C4'-P energy: -123.178
bonds (distance) P-C4' energy: -124.736
flat angles C4'-P-C4' energy: -115.555
flat angles P-C4'-P energy: -85.427
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -771.618425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.618425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.618425 (E_RNA)
where:
Base-Base interactions energy: -361.381
where: short stacking energy: -238.428
Base-Backbone interact. energy: 1.861
local terms energy: -412.098546
where:
bonds (distance) C4'-P energy: -119.035
bonds (distance) P-C4' energy: -118.877
flat angles C4'-P-C4' energy: -99.500
flat angles P-C4'-P energy: -68.896
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -628.831050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.831050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.831050 (E_RNA)
where:
Base-Base interactions energy: -252.818
where: short stacking energy: -192.205
Base-Backbone interact. energy: 2.954
local terms energy: -378.967441
where:
bonds (distance) C4'-P energy: -102.427
bonds (distance) P-C4' energy: -126.470
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -52.260
tors. eta vs tors. theta energy: 1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2096.134312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.134312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.134312 (E_RNA)
where:
Base-Base interactions energy: -1346.618
where: short stacking energy: -659.231
Base-Backbone interact. energy: -3.940
local terms energy: -745.576070
where:
bonds (distance) C4'-P energy: -147.401
bonds (distance) P-C4' energy: -137.809
flat angles C4'-P-C4' energy: -172.915
flat angles P-C4'-P energy: -112.729
tors. eta vs tors. theta energy: -174.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1934.571185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.571185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.571185 (E_RNA)
where:
Base-Base interactions energy: -1234.335
where: short stacking energy: -637.291
Base-Backbone interact. energy: -4.031
local terms energy: -696.204443
where:
bonds (distance) C4'-P energy: -131.806
bonds (distance) P-C4' energy: -138.726
flat angles C4'-P-C4' energy: -142.257
flat angles P-C4'-P energy: -114.424
tors. eta vs tors. theta energy: -168.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1768.020777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.020777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.020777 (E_RNA)
where:
Base-Base interactions energy: -1111.267
where: short stacking energy: -570.018
Base-Backbone interact. energy: 1.160
local terms energy: -657.913994
where:
bonds (distance) C4'-P energy: -132.087
bonds (distance) P-C4' energy: -144.340
flat angles C4'-P-C4' energy: -146.569
flat angles P-C4'-P energy: -99.677
tors. eta vs tors. theta energy: -135.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1634.197137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.197137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.197137 (E_RNA)
where:
Base-Base interactions energy: -1033.067
where: short stacking energy: -515.514
Base-Backbone interact. energy: -1.020
local terms energy: -600.109870
where:
bonds (distance) C4'-P energy: -134.131
bonds (distance) P-C4' energy: -133.360
flat angles C4'-P-C4' energy: -133.067
flat angles P-C4'-P energy: -76.758
tors. eta vs tors. theta energy: -122.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1339.257583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.257583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.257583 (E_RNA)
where:
Base-Base interactions energy: -772.299
where: short stacking energy: -445.414
Base-Backbone interact. energy: -1.784
local terms energy: -565.174639
where:
bonds (distance) C4'-P energy: -124.217
bonds (distance) P-C4' energy: -140.052
flat angles C4'-P-C4' energy: -126.577
flat angles P-C4'-P energy: -64.487
tors. eta vs tors. theta energy: -109.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1214.913634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.913634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.913634 (E_RNA)
where:
Base-Base interactions energy: -715.733
where: short stacking energy: -391.739
Base-Backbone interact. energy: 1.990
local terms energy: -501.170524
where:
bonds (distance) C4'-P energy: -112.941
bonds (distance) P-C4' energy: -125.386
flat angles C4'-P-C4' energy: -111.786
flat angles P-C4'-P energy: -90.680
tors. eta vs tors. theta energy: -60.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1151.129327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.129327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.129327 (E_RNA)
where:
Base-Base interactions energy: -665.735
where: short stacking energy: -370.186
Base-Backbone interact. energy: -2.222
local terms energy: -483.171965
where:
bonds (distance) C4'-P energy: -119.945
bonds (distance) P-C4' energy: -102.520
flat angles C4'-P-C4' energy: -142.141
flat angles P-C4'-P energy: -61.337
tors. eta vs tors. theta energy: -57.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -953.266052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.266052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.266052 (E_RNA)
where:
Base-Base interactions energy: -516.412
where: short stacking energy: -269.190
Base-Backbone interact. energy: -0.396
local terms energy: -436.458548
where:
bonds (distance) C4'-P energy: -110.956
bonds (distance) P-C4' energy: -128.987
flat angles C4'-P-C4' energy: -128.624
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: -31.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -781.975328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.975328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.975328 (E_RNA)
where:
Base-Base interactions energy: -312.436
where: short stacking energy: -215.438
Base-Backbone interact. energy: 4.022
local terms energy: -473.561628
where:
bonds (distance) C4'-P energy: -137.801
bonds (distance) P-C4' energy: -153.952
flat angles C4'-P-C4' energy: -110.746
flat angles P-C4'-P energy: -73.443
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -668.544809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.544809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.544809 (E_RNA)
where:
Base-Base interactions energy: -245.924
where: short stacking energy: -183.348
Base-Backbone interact. energy: -0.058
local terms energy: -422.562595
where:
bonds (distance) C4'-P energy: -109.860
bonds (distance) P-C4' energy: -143.903
flat angles C4'-P-C4' energy: -126.426
flat angles P-C4'-P energy: -57.336
tors. eta vs tors. theta energy: 14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2087.615907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.615907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.615907 (E_RNA)
where:
Base-Base interactions energy: -1369.812
where: short stacking energy: -669.144
Base-Backbone interact. energy: -1.171
local terms energy: -716.632646
where:
bonds (distance) C4'-P energy: -144.495
bonds (distance) P-C4' energy: -138.086
flat angles C4'-P-C4' energy: -152.085
flat angles P-C4'-P energy: -109.163
tors. eta vs tors. theta energy: -172.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1877.986129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.986129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.986129 (E_RNA)
where:
Base-Base interactions energy: -1197.128
where: short stacking energy: -584.181
Base-Backbone interact. energy: 0.491
local terms energy: -681.349073
where:
bonds (distance) C4'-P energy: -134.179
bonds (distance) P-C4' energy: -138.382
flat angles C4'-P-C4' energy: -155.643
flat angles P-C4'-P energy: -100.363
tors. eta vs tors. theta energy: -152.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1790.632849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.632849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.632849 (E_RNA)
where:
Base-Base interactions energy: -1125.893
where: short stacking energy: -541.658
Base-Backbone interact. energy: -0.860
local terms energy: -663.879614
where:
bonds (distance) C4'-P energy: -136.017
bonds (distance) P-C4' energy: -123.839
flat angles C4'-P-C4' energy: -156.198
flat angles P-C4'-P energy: -112.464
tors. eta vs tors. theta energy: -135.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1799.980815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.980815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.980815 (E_RNA)
where:
Base-Base interactions energy: -1168.276
where: short stacking energy: -569.948
Base-Backbone interact. energy: -3.338
local terms energy: -628.366260
where:
bonds (distance) C4'-P energy: -137.294
bonds (distance) P-C4' energy: -128.973
flat angles C4'-P-C4' energy: -144.158
flat angles P-C4'-P energy: -81.014
tors. eta vs tors. theta energy: -136.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1311.957300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.957300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.957300 (E_RNA)
where:
Base-Base interactions energy: -761.358
where: short stacking energy: -428.965
Base-Backbone interact. energy: -1.542
local terms energy: -549.057149
where:
bonds (distance) C4'-P energy: -114.651
bonds (distance) P-C4' energy: -129.634
flat angles C4'-P-C4' energy: -122.968
flat angles P-C4'-P energy: -94.097
tors. eta vs tors. theta energy: -87.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1308.444743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.444743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.444743 (E_RNA)
where:
Base-Base interactions energy: -766.671
where: short stacking energy: -434.452
Base-Backbone interact. energy: -1.020
local terms energy: -540.754580
where:
bonds (distance) C4'-P energy: -120.816
bonds (distance) P-C4' energy: -130.018
flat angles C4'-P-C4' energy: -120.085
flat angles P-C4'-P energy: -76.148
tors. eta vs tors. theta energy: -93.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1189.542257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.542257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.542257 (E_RNA)
where:
Base-Base interactions energy: -690.920
where: short stacking energy: -369.269
Base-Backbone interact. energy: -4.764
local terms energy: -493.857774
where:
bonds (distance) C4'-P energy: -112.989
bonds (distance) P-C4' energy: -129.018
flat angles C4'-P-C4' energy: -123.639
flat angles P-C4'-P energy: -73.257
tors. eta vs tors. theta energy: -54.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -928.410117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.410117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.410117 (E_RNA)
where:
Base-Base interactions energy: -515.067
where: short stacking energy: -273.063
Base-Backbone interact. energy: -1.207
local terms energy: -412.135955
where:
bonds (distance) C4'-P energy: -93.617
bonds (distance) P-C4' energy: -111.509
flat angles C4'-P-C4' energy: -111.579
flat angles P-C4'-P energy: -77.155
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -743.690664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.690664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.690664 (E_RNA)
where:
Base-Base interactions energy: -344.944
where: short stacking energy: -224.663
Base-Backbone interact. energy: 8.388
local terms energy: -407.134644
where:
bonds (distance) C4'-P energy: -113.785
bonds (distance) P-C4' energy: -109.481
flat angles C4'-P-C4' energy: -117.862
flat angles P-C4'-P energy: -61.036
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -613.296746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.296746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.296746 (E_RNA)
where:
Base-Base interactions energy: -248.111
where: short stacking energy: -178.608
Base-Backbone interact. energy: -4.530
local terms energy: -360.655242
where:
bonds (distance) C4'-P energy: -103.573
bonds (distance) P-C4' energy: -103.895
flat angles C4'-P-C4' energy: -97.094
flat angles P-C4'-P energy: -64.174
tors. eta vs tors. theta energy: 8.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2198.538368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.538368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.538368 (E_RNA)
where:
Base-Base interactions energy: -1435.040
where: short stacking energy: -660.614
Base-Backbone interact. energy: -0.520
local terms energy: -762.977660
where:
bonds (distance) C4'-P energy: -124.788
bonds (distance) P-C4' energy: -153.179
flat angles C4'-P-C4' energy: -173.828
flat angles P-C4'-P energy: -114.859
tors. eta vs tors. theta energy: -196.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1857.578343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.578343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.578343 (E_RNA)
where:
Base-Base interactions energy: -1172.491
where: short stacking energy: -598.682
Base-Backbone interact. energy: -1.811
local terms energy: -683.276441
where:
bonds (distance) C4'-P energy: -137.177
bonds (distance) P-C4' energy: -144.761
flat angles C4'-P-C4' energy: -154.538
flat angles P-C4'-P energy: -99.592
tors. eta vs tors. theta energy: -147.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1792.540819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.540819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.540819 (E_RNA)
where:
Base-Base interactions energy: -1136.528
where: short stacking energy: -551.146
Base-Backbone interact. energy: 5.189
local terms energy: -661.201256
where:
bonds (distance) C4'-P energy: -138.574
bonds (distance) P-C4' energy: -141.121
flat angles C4'-P-C4' energy: -158.586
flat angles P-C4'-P energy: -81.000
tors. eta vs tors. theta energy: -141.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1793.095139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.095139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.095139 (E_RNA)
where:
Base-Base interactions energy: -1133.814
where: short stacking energy: -554.609
Base-Backbone interact. energy: -4.918
local terms energy: -654.363338
where:
bonds (distance) C4'-P energy: -139.453
bonds (distance) P-C4' energy: -146.702
flat angles C4'-P-C4' energy: -142.369
flat angles P-C4'-P energy: -88.339
tors. eta vs tors. theta energy: -137.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1368.971505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.971505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.971505 (E_RNA)
where:
Base-Base interactions energy: -808.775
where: short stacking energy: -419.655
Base-Backbone interact. energy: -0.528
local terms energy: -559.668668
where:
bonds (distance) C4'-P energy: -137.761
bonds (distance) P-C4' energy: -132.303
flat angles C4'-P-C4' energy: -121.422
flat angles P-C4'-P energy: -103.783
tors. eta vs tors. theta energy: -64.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1328.682713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.682713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.682713 (E_RNA)
where:
Base-Base interactions energy: -753.053
where: short stacking energy: -405.753
Base-Backbone interact. energy: -2.028
local terms energy: -573.601902
where:
bonds (distance) C4'-P energy: -129.665
bonds (distance) P-C4' energy: -131.219
flat angles C4'-P-C4' energy: -129.549
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -103.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1182.593383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.593383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.593383 (E_RNA)
where:
Base-Base interactions energy: -662.342
where: short stacking energy: -340.359
Base-Backbone interact. energy: 0.264
local terms energy: -520.515056
where:
bonds (distance) C4'-P energy: -139.056
bonds (distance) P-C4' energy: -133.012
flat angles C4'-P-C4' energy: -118.892
flat angles P-C4'-P energy: -78.208
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -922.018197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.018197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.018197 (E_RNA)
where:
Base-Base interactions energy: -453.030
where: short stacking energy: -239.164
Base-Backbone interact. energy: 1.890
local terms energy: -470.878398
where:
bonds (distance) C4'-P energy: -127.917
bonds (distance) P-C4' energy: -141.219
flat angles C4'-P-C4' energy: -128.490
flat angles P-C4'-P energy: -72.658
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -754.427778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.427778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.427778 (E_RNA)
where:
Base-Base interactions energy: -359.226
where: short stacking energy: -238.950
Base-Backbone interact. energy: -0.901
local terms energy: -394.301344
where:
bonds (distance) C4'-P energy: -99.881
bonds (distance) P-C4' energy: -121.146
flat angles C4'-P-C4' energy: -104.889
flat angles P-C4'-P energy: -73.755
tors. eta vs tors. theta energy: 5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -603.597005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.597005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.597005 (E_RNA)
where:
Base-Base interactions energy: -262.948
where: short stacking energy: -176.281
Base-Backbone interact. energy: -0.237
local terms energy: -340.412220
where:
bonds (distance) C4'-P energy: -116.853
bonds (distance) P-C4' energy: -109.308
flat angles C4'-P-C4' energy: -69.894
flat angles P-C4'-P energy: -79.026
tors. eta vs tors. theta energy: 34.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2163.589949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.589949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.589949 (E_RNA)
where:
Base-Base interactions energy: -1427.558
where: short stacking energy: -671.145
Base-Backbone interact. energy: -2.808
local terms energy: -733.223736
where:
bonds (distance) C4'-P energy: -127.470
bonds (distance) P-C4' energy: -144.491
flat angles C4'-P-C4' energy: -170.913
flat angles P-C4'-P energy: -107.097
tors. eta vs tors. theta energy: -183.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1854.193632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.193632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.193632 (E_RNA)
where:
Base-Base interactions energy: -1172.825
where: short stacking energy: -547.543
Base-Backbone interact. energy: 2.511
local terms energy: -683.879434
where:
bonds (distance) C4'-P energy: -145.632
bonds (distance) P-C4' energy: -143.763
flat angles C4'-P-C4' energy: -159.692
flat angles P-C4'-P energy: -99.901
tors. eta vs tors. theta energy: -134.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1793.619299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.619299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.619299 (E_RNA)
where:
Base-Base interactions energy: -1134.343
where: short stacking energy: -550.966
Base-Backbone interact. energy: -3.391
local terms energy: -655.884619
where:
bonds (distance) C4'-P energy: -136.601
bonds (distance) P-C4' energy: -134.411
flat angles C4'-P-C4' energy: -150.272
flat angles P-C4'-P energy: -101.623
tors. eta vs tors. theta energy: -132.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1776.291400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.291400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.291400 (E_RNA)
where:
Base-Base interactions energy: -1152.605
where: short stacking energy: -543.116
Base-Backbone interact. energy: 0.235
local terms energy: -623.921332
where:
bonds (distance) C4'-P energy: -133.130
bonds (distance) P-C4' energy: -120.340
flat angles C4'-P-C4' energy: -156.153
flat angles P-C4'-P energy: -78.312
tors. eta vs tors. theta energy: -135.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1425.392912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.392912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.392912 (E_RNA)
where:
Base-Base interactions energy: -831.261
where: short stacking energy: -457.262
Base-Backbone interact. energy: -2.867
local terms energy: -591.265306
where:
bonds (distance) C4'-P energy: -131.744
bonds (distance) P-C4' energy: -139.338
flat angles C4'-P-C4' energy: -132.885
flat angles P-C4'-P energy: -88.694
tors. eta vs tors. theta energy: -98.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1305.288456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.288456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.288456 (E_RNA)
where:
Base-Base interactions energy: -768.292
where: short stacking energy: -374.538
Base-Backbone interact. energy: -0.772
local terms energy: -536.224467
where:
bonds (distance) C4'-P energy: -130.506
bonds (distance) P-C4' energy: -129.301
flat angles C4'-P-C4' energy: -128.387
flat angles P-C4'-P energy: -75.027
tors. eta vs tors. theta energy: -73.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1239.251837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.251837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.251837 (E_RNA)
where:
Base-Base interactions energy: -739.092
where: short stacking energy: -348.708
Base-Backbone interact. energy: 0.337
local terms energy: -500.496686
where:
bonds (distance) C4'-P energy: -104.495
bonds (distance) P-C4' energy: -134.972
flat angles C4'-P-C4' energy: -131.711
flat angles P-C4'-P energy: -79.046
tors. eta vs tors. theta energy: -50.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1000.380935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.380935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.380935 (E_RNA)
where:
Base-Base interactions energy: -540.744
where: short stacking energy: -302.187
Base-Backbone interact. energy: 3.644
local terms energy: -463.280083
where:
bonds (distance) C4'-P energy: -106.285
bonds (distance) P-C4' energy: -124.908
flat angles C4'-P-C4' energy: -123.984
flat angles P-C4'-P energy: -80.628
tors. eta vs tors. theta energy: -27.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -729.636269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.636269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.636269 (E_RNA)
where:
Base-Base interactions energy: -344.723
where: short stacking energy: -214.576
Base-Backbone interact. energy: -1.812
local terms energy: -383.101557
where:
bonds (distance) C4'-P energy: -99.181
bonds (distance) P-C4' energy: -105.765
flat angles C4'-P-C4' energy: -107.249
flat angles P-C4'-P energy: -74.260
tors. eta vs tors. theta energy: 3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -583.852687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.852687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.852687 (E_RNA)
where:
Base-Base interactions energy: -212.284
where: short stacking energy: -144.224
Base-Backbone interact. energy: -3.142
local terms energy: -368.426431
where:
bonds (distance) C4'-P energy: -95.865
bonds (distance) P-C4' energy: -120.708
flat angles C4'-P-C4' energy: -103.597
flat angles P-C4'-P energy: -61.201
tors. eta vs tors. theta energy: 12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2226.800269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.800269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.800269 (E_RNA)
where:
Base-Base interactions energy: -1477.380
where: short stacking energy: -667.757
Base-Backbone interact. energy: -3.533
local terms energy: -745.887893
where:
bonds (distance) C4'-P energy: -135.635
bonds (distance) P-C4' energy: -155.442
flat angles C4'-P-C4' energy: -161.277
flat angles P-C4'-P energy: -95.909
tors. eta vs tors. theta energy: -197.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1847.817010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.817010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.817010 (E_RNA)
where:
Base-Base interactions energy: -1164.588
where: short stacking energy: -563.740
Base-Backbone interact. energy: 0.941
local terms energy: -684.170164
where:
bonds (distance) C4'-P energy: -150.382
bonds (distance) P-C4' energy: -144.957
flat angles C4'-P-C4' energy: -156.652
flat angles P-C4'-P energy: -95.396
tors. eta vs tors. theta energy: -136.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1870.601105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.601105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.601105 (E_RNA)
where:
Base-Base interactions energy: -1199.388
where: short stacking energy: -588.434
Base-Backbone interact. energy: -4.093
local terms energy: -667.119817
where:
bonds (distance) C4'-P energy: -140.106
bonds (distance) P-C4' energy: -138.463
flat angles C4'-P-C4' energy: -146.936
flat angles P-C4'-P energy: -90.525
tors. eta vs tors. theta energy: -151.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1686.546061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.546061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.546061 (E_RNA)
where:
Base-Base interactions energy: -1044.946
where: short stacking energy: -497.151
Base-Backbone interact. energy: 0.268
local terms energy: -641.867916
where:
bonds (distance) C4'-P energy: -139.499
bonds (distance) P-C4' energy: -146.541
flat angles C4'-P-C4' energy: -141.122
flat angles P-C4'-P energy: -91.096
tors. eta vs tors. theta energy: -123.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1455.749318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.749318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.749318 (E_RNA)
where:
Base-Base interactions energy: -862.871
where: short stacking energy: -451.919
Base-Backbone interact. energy: 0.082
local terms energy: -592.960570
where:
bonds (distance) C4'-P energy: -123.941
bonds (distance) P-C4' energy: -153.752
flat angles C4'-P-C4' energy: -124.073
flat angles P-C4'-P energy: -94.803
tors. eta vs tors. theta energy: -96.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1320.678954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.678954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.678954 (E_RNA)
where:
Base-Base interactions energy: -781.403
where: short stacking energy: -401.660
Base-Backbone interact. energy: -3.421
local terms energy: -535.854894
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -137.158
flat angles C4'-P-C4' energy: -133.555
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: -64.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1247.963629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.963629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.963629 (E_RNA)
where:
Base-Base interactions energy: -741.587
where: short stacking energy: -394.464
Base-Backbone interact. energy: 3.212
local terms energy: -509.588454
where:
bonds (distance) C4'-P energy: -115.004
bonds (distance) P-C4' energy: -131.896
flat angles C4'-P-C4' energy: -113.086
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -76.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -913.880151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.880151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.880151 (E_RNA)
where:
Base-Base interactions energy: -446.617
where: short stacking energy: -291.744
Base-Backbone interact. energy: 0.209
local terms energy: -467.472120
where:
bonds (distance) C4'-P energy: -108.820
bonds (distance) P-C4' energy: -121.727
flat angles C4'-P-C4' energy: -119.764
flat angles P-C4'-P energy: -83.448
tors. eta vs tors. theta energy: -33.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -806.106231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.106231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.106231 (E_RNA)
where:
Base-Base interactions energy: -423.214
where: short stacking energy: -225.346
Base-Backbone interact. energy: 0.172
local terms energy: -383.063510
where:
bonds (distance) C4'-P energy: -113.418
bonds (distance) P-C4' energy: -122.137
flat angles C4'-P-C4' energy: -92.200
flat angles P-C4'-P energy: -52.843
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -709.529806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.529806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.529806 (E_RNA)
where:
Base-Base interactions energy: -279.663
where: short stacking energy: -177.808
Base-Backbone interact. energy: 0.132
local terms energy: -429.998109
where:
bonds (distance) C4'-P energy: -109.440
bonds (distance) P-C4' energy: -139.560
flat angles C4'-P-C4' energy: -104.460
flat angles P-C4'-P energy: -69.934
tors. eta vs tors. theta energy: -6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2191.744133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.744133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.744133 (E_RNA)
where:
Base-Base interactions energy: -1461.896
where: short stacking energy: -665.102
Base-Backbone interact. energy: -3.293
local terms energy: -726.555319
where:
bonds (distance) C4'-P energy: -131.918
bonds (distance) P-C4' energy: -153.868
flat angles C4'-P-C4' energy: -162.777
flat angles P-C4'-P energy: -107.116
tors. eta vs tors. theta energy: -170.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1886.228987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.228987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.228987 (E_RNA)
where:
Base-Base interactions energy: -1194.894
where: short stacking energy: -583.656
Base-Backbone interact. energy: 0.356
local terms energy: -691.691011
where:
bonds (distance) C4'-P energy: -143.354
bonds (distance) P-C4' energy: -132.750
flat angles C4'-P-C4' energy: -164.188
flat angles P-C4'-P energy: -110.651
tors. eta vs tors. theta energy: -140.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1886.611562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.611562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.611562 (E_RNA)
where:
Base-Base interactions energy: -1225.350
where: short stacking energy: -586.596
Base-Backbone interact. energy: -2.570
local terms energy: -658.692190
where:
bonds (distance) C4'-P energy: -136.276
bonds (distance) P-C4' energy: -146.064
flat angles C4'-P-C4' energy: -147.677
flat angles P-C4'-P energy: -83.078
tors. eta vs tors. theta energy: -145.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1722.206619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.206619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.206619 (E_RNA)
where:
Base-Base interactions energy: -1102.064
where: short stacking energy: -535.984
Base-Backbone interact. energy: -1.313
local terms energy: -618.829873
where:
bonds (distance) C4'-P energy: -139.661
bonds (distance) P-C4' energy: -128.248
flat angles C4'-P-C4' energy: -135.175
flat angles P-C4'-P energy: -85.112
tors. eta vs tors. theta energy: -130.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1522.557503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.557503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.557503 (E_RNA)
where:
Base-Base interactions energy: -915.052
where: short stacking energy: -490.476
Base-Backbone interact. energy: 0.224
local terms energy: -607.729312
where:
bonds (distance) C4'-P energy: -129.903
bonds (distance) P-C4' energy: -143.612
flat angles C4'-P-C4' energy: -137.097
flat angles P-C4'-P energy: -88.980
tors. eta vs tors. theta energy: -108.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1320.982711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.982711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.982711 (E_RNA)
where:
Base-Base interactions energy: -773.429
where: short stacking energy: -402.864
Base-Backbone interact. energy: -1.066
local terms energy: -546.487557
where:
bonds (distance) C4'-P energy: -114.070
bonds (distance) P-C4' energy: -146.763
flat angles C4'-P-C4' energy: -140.190
flat angles P-C4'-P energy: -60.281
tors. eta vs tors. theta energy: -85.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1213.609743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.609743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.609743 (E_RNA)
where:
Base-Base interactions energy: -680.808
where: short stacking energy: -376.115
Base-Backbone interact. energy: -0.925
local terms energy: -531.877012
where:
bonds (distance) C4'-P energy: -109.845
bonds (distance) P-C4' energy: -144.914
flat angles C4'-P-C4' energy: -136.627
flat angles P-C4'-P energy: -74.337
tors. eta vs tors. theta energy: -66.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -880.155152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.155152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.155152 (E_RNA)
where:
Base-Base interactions energy: -451.940
where: short stacking energy: -239.626
Base-Backbone interact. energy: 3.997
local terms energy: -432.212848
where:
bonds (distance) C4'-P energy: -116.921
bonds (distance) P-C4' energy: -128.119
flat angles C4'-P-C4' energy: -122.372
flat angles P-C4'-P energy: -74.091
tors. eta vs tors. theta energy: 9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -728.917969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.917969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.917969 (E_RNA)
where:
Base-Base interactions energy: -311.451
where: short stacking energy: -206.180
Base-Backbone interact. energy: 2.941
local terms energy: -420.407442
where:
bonds (distance) C4'-P energy: -122.202
bonds (distance) P-C4' energy: -134.528
flat angles C4'-P-C4' energy: -102.211
flat angles P-C4'-P energy: -60.955
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -678.380513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.380513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.380513 (E_RNA)
where:
Base-Base interactions energy: -304.935
where: short stacking energy: -195.629
Base-Backbone interact. energy: -0.851
local terms energy: -372.594140
where:
bonds (distance) C4'-P energy: -89.001
bonds (distance) P-C4' energy: -131.786
flat angles C4'-P-C4' energy: -111.809
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2195.626908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.626908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.626908 (E_RNA)
where:
Base-Base interactions energy: -1464.261
where: short stacking energy: -645.553
Base-Backbone interact. energy: -4.065
local terms energy: -727.300660
where:
bonds (distance) C4'-P energy: -147.162
bonds (distance) P-C4' energy: -140.588
flat angles C4'-P-C4' energy: -163.110
flat angles P-C4'-P energy: -105.542
tors. eta vs tors. theta energy: -170.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1949.400504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.400504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.400504 (E_RNA)
where:
Base-Base interactions energy: -1255.082
where: short stacking energy: -630.434
Base-Backbone interact. energy: 0.497
local terms energy: -694.815843
where:
bonds (distance) C4'-P energy: -128.514
bonds (distance) P-C4' energy: -146.357
flat angles C4'-P-C4' energy: -156.313
flat angles P-C4'-P energy: -100.561
tors. eta vs tors. theta energy: -163.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1798.850484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.850484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.850484 (E_RNA)
where:
Base-Base interactions energy: -1136.172
where: short stacking energy: -564.618
Base-Backbone interact. energy: -0.207
local terms energy: -662.471769
where:
bonds (distance) C4'-P energy: -134.491
bonds (distance) P-C4' energy: -151.140
flat angles C4'-P-C4' energy: -150.697
flat angles P-C4'-P energy: -85.939
tors. eta vs tors. theta energy: -140.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1670.319220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.319220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.319220 (E_RNA)
where:
Base-Base interactions energy: -1056.447
where: short stacking energy: -517.630
Base-Backbone interact. energy: 2.071
local terms energy: -615.942716
where:
bonds (distance) C4'-P energy: -119.601
bonds (distance) P-C4' energy: -133.653
flat angles C4'-P-C4' energy: -151.010
flat angles P-C4'-P energy: -86.895
tors. eta vs tors. theta energy: -124.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1561.761106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.761106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.761106 (E_RNA)
where:
Base-Base interactions energy: -936.447
where: short stacking energy: -483.894
Base-Backbone interact. energy: 1.396
local terms energy: -626.710159
where:
bonds (distance) C4'-P energy: -135.617
bonds (distance) P-C4' energy: -153.173
flat angles C4'-P-C4' energy: -125.731
flat angles P-C4'-P energy: -99.232
tors. eta vs tors. theta energy: -112.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1395.690023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.690023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.690023 (E_RNA)
where:
Base-Base interactions energy: -854.890
where: short stacking energy: -408.936
Base-Backbone interact. energy: -2.610
local terms energy: -538.189566
where:
bonds (distance) C4'-P energy: -136.209
bonds (distance) P-C4' energy: -139.467
flat angles C4'-P-C4' energy: -116.346
flat angles P-C4'-P energy: -77.366
tors. eta vs tors. theta energy: -68.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1130.089689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.089689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.089689 (E_RNA)
where:
Base-Base interactions energy: -646.215
where: short stacking energy: -343.749
Base-Backbone interact. energy: 1.228
local terms energy: -485.102292
where:
bonds (distance) C4'-P energy: -95.082
bonds (distance) P-C4' energy: -125.081
flat angles C4'-P-C4' energy: -122.467
flat angles P-C4'-P energy: -76.690
tors. eta vs tors. theta energy: -65.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1004.350316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.350316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.350316 (E_RNA)
where:
Base-Base interactions energy: -542.331
where: short stacking energy: -284.790
Base-Backbone interact. energy: 2.802
local terms energy: -464.821640
where:
bonds (distance) C4'-P energy: -120.206
bonds (distance) P-C4' energy: -130.210
flat angles C4'-P-C4' energy: -103.903
flat angles P-C4'-P energy: -71.309
tors. eta vs tors. theta energy: -39.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -778.187617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.187617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.187617 (E_RNA)
where:
Base-Base interactions energy: -368.829
where: short stacking energy: -222.820
Base-Backbone interact. energy: 0.757
local terms energy: -410.115840
where:
bonds (distance) C4'-P energy: -118.756
bonds (distance) P-C4' energy: -133.574
flat angles C4'-P-C4' energy: -112.694
flat angles P-C4'-P energy: -49.672
tors. eta vs tors. theta energy: 4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -698.479932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.479932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.479932 (E_RNA)
where:
Base-Base interactions energy: -283.087
where: short stacking energy: -190.753
Base-Backbone interact. energy: 3.539
local terms energy: -418.932009
where:
bonds (distance) C4'-P energy: -134.885
bonds (distance) P-C4' energy: -139.604
flat angles C4'-P-C4' energy: -84.184
flat angles P-C4'-P energy: -65.037
tors. eta vs tors. theta energy: 4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2231.671552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.671552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.671552 (E_RNA)
where:
Base-Base interactions energy: -1473.989
where: short stacking energy: -650.735
Base-Backbone interact. energy: -3.264
local terms energy: -754.418166
where:
bonds (distance) C4'-P energy: -142.946
bonds (distance) P-C4' energy: -156.400
flat angles C4'-P-C4' energy: -158.654
flat angles P-C4'-P energy: -108.119
tors. eta vs tors. theta energy: -188.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1953.598848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.598848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.598848 (E_RNA)
where:
Base-Base interactions energy: -1219.954
where: short stacking energy: -599.037
Base-Backbone interact. energy: 0.255
local terms energy: -733.899200
where:
bonds (distance) C4'-P energy: -147.929
bonds (distance) P-C4' energy: -158.951
flat angles C4'-P-C4' energy: -155.673
flat angles P-C4'-P energy: -102.152
tors. eta vs tors. theta energy: -169.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1798.836808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.836808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.836808 (E_RNA)
where:
Base-Base interactions energy: -1160.028
where: short stacking energy: -542.156
Base-Backbone interact. energy: -0.643
local terms energy: -638.166092
where:
bonds (distance) C4'-P energy: -143.833
bonds (distance) P-C4' energy: -120.280
flat angles C4'-P-C4' energy: -148.970
flat angles P-C4'-P energy: -87.477
tors. eta vs tors. theta energy: -137.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1739.188840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.188840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.188840 (E_RNA)
where:
Base-Base interactions energy: -1108.314
where: short stacking energy: -521.908
Base-Backbone interact. energy: -0.302
local terms energy: -630.573262
where:
bonds (distance) C4'-P energy: -134.807
bonds (distance) P-C4' energy: -140.949
flat angles C4'-P-C4' energy: -135.461
flat angles P-C4'-P energy: -80.269
tors. eta vs tors. theta energy: -139.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1533.066613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.066613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.066613 (E_RNA)
where:
Base-Base interactions energy: -943.469
where: short stacking energy: -451.651
Base-Backbone interact. energy: 0.596
local terms energy: -590.193624
where:
bonds (distance) C4'-P energy: -122.361
bonds (distance) P-C4' energy: -142.007
flat angles C4'-P-C4' energy: -144.425
flat angles P-C4'-P energy: -94.986
tors. eta vs tors. theta energy: -86.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1379.920319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.920319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.920319 (E_RNA)
where:
Base-Base interactions energy: -843.050
where: short stacking energy: -429.190
Base-Backbone interact. energy: -2.095
local terms energy: -534.774915
where:
bonds (distance) C4'-P energy: -116.850
bonds (distance) P-C4' energy: -136.336
flat angles C4'-P-C4' energy: -132.746
flat angles P-C4'-P energy: -67.105
tors. eta vs tors. theta energy: -81.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1156.718509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.718509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.718509 (E_RNA)
where:
Base-Base interactions energy: -647.900
where: short stacking energy: -331.808
Base-Backbone interact. energy: -4.023
local terms energy: -504.796069
where:
bonds (distance) C4'-P energy: -116.427
bonds (distance) P-C4' energy: -134.388
flat angles C4'-P-C4' energy: -117.856
flat angles P-C4'-P energy: -72.705
tors. eta vs tors. theta energy: -63.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1019.777301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.777301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.777301 (E_RNA)
where:
Base-Base interactions energy: -594.563
where: short stacking energy: -320.541
Base-Backbone interact. energy: 3.019
local terms energy: -428.232809
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -101.896
flat angles C4'-P-C4' energy: -120.106
flat angles P-C4'-P energy: -63.620
tors. eta vs tors. theta energy: -31.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -757.853026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.853026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.853026 (E_RNA)
where:
Base-Base interactions energy: -351.715
where: short stacking energy: -227.730
Base-Backbone interact. energy: 4.710
local terms energy: -410.848881
where:
bonds (distance) C4'-P energy: -116.705
bonds (distance) P-C4' energy: -116.167
flat angles C4'-P-C4' energy: -116.715
flat angles P-C4'-P energy: -64.405
tors. eta vs tors. theta energy: 3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -596.858796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.858796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.858796 (E_RNA)
where:
Base-Base interactions energy: -240.876
where: short stacking energy: -181.073
Base-Backbone interact. energy: 4.314
local terms energy: -360.296800
where:
bonds (distance) C4'-P energy: -100.425
bonds (distance) P-C4' energy: -117.922
flat angles C4'-P-C4' energy: -111.662
flat angles P-C4'-P energy: -46.087
tors. eta vs tors. theta energy: 15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2267.297787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.297787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.297787 (E_RNA)
where:
Base-Base interactions energy: -1500.369
where: short stacking energy: -690.522
Base-Backbone interact. energy: -2.218
local terms energy: -764.711382
where:
bonds (distance) C4'-P energy: -141.019
bonds (distance) P-C4' energy: -152.035
flat angles C4'-P-C4' energy: -167.574
flat angles P-C4'-P energy: -105.259
tors. eta vs tors. theta energy: -198.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1930.428394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.428394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.428394 (E_RNA)
where:
Base-Base interactions energy: -1222.181
where: short stacking energy: -577.968
Base-Backbone interact. energy: -3.593
local terms energy: -704.654587
where:
bonds (distance) C4'-P energy: -147.808
bonds (distance) P-C4' energy: -152.261
flat angles C4'-P-C4' energy: -163.134
flat angles P-C4'-P energy: -100.752
tors. eta vs tors. theta energy: -140.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1768.265970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.265970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.265970 (E_RNA)
where:
Base-Base interactions energy: -1119.659
where: short stacking energy: -548.661
Base-Backbone interact. energy: -4.082
local terms energy: -644.524107
where:
bonds (distance) C4'-P energy: -119.355
bonds (distance) P-C4' energy: -144.659
flat angles C4'-P-C4' energy: -142.261
flat angles P-C4'-P energy: -93.018
tors. eta vs tors. theta energy: -145.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1753.563441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.563441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.563441 (E_RNA)
where:
Base-Base interactions energy: -1122.988
where: short stacking energy: -549.969
Base-Backbone interact. energy: -2.656
local terms energy: -627.918831
where:
bonds (distance) C4'-P energy: -125.353
bonds (distance) P-C4' energy: -145.543
flat angles C4'-P-C4' energy: -125.114
flat angles P-C4'-P energy: -88.660
tors. eta vs tors. theta energy: -143.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1550.505590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.505590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.505590 (E_RNA)
where:
Base-Base interactions energy: -956.956
where: short stacking energy: -512.118
Base-Backbone interact. energy: 1.065
local terms energy: -594.614938
where:
bonds (distance) C4'-P energy: -119.073
bonds (distance) P-C4' energy: -124.448
flat angles C4'-P-C4' energy: -127.044
flat angles P-C4'-P energy: -98.291
tors. eta vs tors. theta energy: -125.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1432.942377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.942377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.942377 (E_RNA)
where:
Base-Base interactions energy: -867.385
where: short stacking energy: -439.537
Base-Backbone interact. energy: 2.914
local terms energy: -568.471032
where:
bonds (distance) C4'-P energy: -127.835
bonds (distance) P-C4' energy: -127.891
flat angles C4'-P-C4' energy: -130.422
flat angles P-C4'-P energy: -98.160
tors. eta vs tors. theta energy: -84.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1202.954742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.954742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.954742 (E_RNA)
where:
Base-Base interactions energy: -679.105
where: short stacking energy: -373.010
Base-Backbone interact. energy: -1.683
local terms energy: -522.166376
where:
bonds (distance) C4'-P energy: -105.249
bonds (distance) P-C4' energy: -143.858
flat angles C4'-P-C4' energy: -119.831
flat angles P-C4'-P energy: -79.814
tors. eta vs tors. theta energy: -73.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -959.887735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.887735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.887735 (E_RNA)
where:
Base-Base interactions energy: -520.392
where: short stacking energy: -246.531
Base-Backbone interact. energy: 5.410
local terms energy: -444.906018
where:
bonds (distance) C4'-P energy: -132.382
bonds (distance) P-C4' energy: -113.323
flat angles C4'-P-C4' energy: -122.901
flat angles P-C4'-P energy: -58.810
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -808.969513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.969513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.969513 (E_RNA)
where:
Base-Base interactions energy: -383.605
where: short stacking energy: -256.548
Base-Backbone interact. energy: -1.843
local terms energy: -423.521936
where:
bonds (distance) C4'-P energy: -115.687
bonds (distance) P-C4' energy: -133.964
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -56.399
tors. eta vs tors. theta energy: -0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -623.890390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.890390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.890390 (E_RNA)
where:
Base-Base interactions energy: -268.856
where: short stacking energy: -197.152
Base-Backbone interact. energy: 1.592
local terms energy: -356.626644
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -107.982
flat angles C4'-P-C4' energy: -96.506
flat angles P-C4'-P energy: -59.955
tors. eta vs tors. theta energy: 27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2254.649636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.649636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.649636 (E_RNA)
where:
Base-Base interactions energy: -1515.611
where: short stacking energy: -681.645
Base-Backbone interact. energy: -2.394
local terms energy: -736.644241
where:
bonds (distance) C4'-P energy: -150.650
bonds (distance) P-C4' energy: -147.655
flat angles C4'-P-C4' energy: -167.510
flat angles P-C4'-P energy: -92.775
tors. eta vs tors. theta energy: -178.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1873.050666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.050666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.050666 (E_RNA)
where:
Base-Base interactions energy: -1200.654
where: short stacking energy: -552.154
Base-Backbone interact. energy: -1.250
local terms energy: -671.146720
where:
bonds (distance) C4'-P energy: -150.174
bonds (distance) P-C4' energy: -145.775
flat angles C4'-P-C4' energy: -151.104
flat angles P-C4'-P energy: -90.577
tors. eta vs tors. theta energy: -133.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1796.244832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.244832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.244832 (E_RNA)
where:
Base-Base interactions energy: -1132.973
where: short stacking energy: -545.894
Base-Backbone interact. energy: -3.451
local terms energy: -659.821007
where:
bonds (distance) C4'-P energy: -136.482
bonds (distance) P-C4' energy: -133.720
flat angles C4'-P-C4' energy: -150.930
flat angles P-C4'-P energy: -97.220
tors. eta vs tors. theta energy: -141.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1641.597064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.597064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.597064 (E_RNA)
where:
Base-Base interactions energy: -1012.931
where: short stacking energy: -501.910
Base-Backbone interact. energy: -3.090
local terms energy: -625.575774
where:
bonds (distance) C4'-P energy: -118.467
bonds (distance) P-C4' energy: -141.620
flat angles C4'-P-C4' energy: -151.393
flat angles P-C4'-P energy: -97.489
tors. eta vs tors. theta energy: -116.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1561.971143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.971143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.971143 (E_RNA)
where:
Base-Base interactions energy: -977.647
where: short stacking energy: -507.569
Base-Backbone interact. energy: -2.724
local terms energy: -581.600522
where:
bonds (distance) C4'-P energy: -136.828
bonds (distance) P-C4' energy: -109.425
flat angles C4'-P-C4' energy: -144.453
flat angles P-C4'-P energy: -79.943
tors. eta vs tors. theta energy: -110.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1465.299305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.299305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.299305 (E_RNA)
where:
Base-Base interactions energy: -907.341
where: short stacking energy: -429.274
Base-Backbone interact. energy: 0.658
local terms energy: -558.616538
where:
bonds (distance) C4'-P energy: -133.180
bonds (distance) P-C4' energy: -127.448
flat angles C4'-P-C4' energy: -127.670
flat angles P-C4'-P energy: -90.877
tors. eta vs tors. theta energy: -79.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1224.087349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.087349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.087349 (E_RNA)
where:
Base-Base interactions energy: -702.034
where: short stacking energy: -356.068
Base-Backbone interact. energy: -1.724
local terms energy: -520.329498
where:
bonds (distance) C4'-P energy: -134.651
bonds (distance) P-C4' energy: -120.469
flat angles C4'-P-C4' energy: -130.253
flat angles P-C4'-P energy: -68.342
tors. eta vs tors. theta energy: -66.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -954.919642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.919642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.919642 (E_RNA)
where:
Base-Base interactions energy: -505.387
where: short stacking energy: -294.523
Base-Backbone interact. energy: -3.630
local terms energy: -445.902149
where:
bonds (distance) C4'-P energy: -137.708
bonds (distance) P-C4' energy: -118.613
flat angles C4'-P-C4' energy: -109.452
flat angles P-C4'-P energy: -67.934
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -803.334940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.334940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.334940 (E_RNA)
where:
Base-Base interactions energy: -400.658
where: short stacking energy: -241.118
Base-Backbone interact. energy: 0.350
local terms energy: -403.026425
where:
bonds (distance) C4'-P energy: -126.595
bonds (distance) P-C4' energy: -109.305
flat angles C4'-P-C4' energy: -100.671
flat angles P-C4'-P energy: -71.840
tors. eta vs tors. theta energy: 5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -589.940367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.940367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.940367 (E_RNA)
where:
Base-Base interactions energy: -222.878
where: short stacking energy: -180.599
Base-Backbone interact. energy: -2.507
local terms energy: -364.555735
where:
bonds (distance) C4'-P energy: -122.899
bonds (distance) P-C4' energy: -123.038
flat angles C4'-P-C4' energy: -102.028
flat angles P-C4'-P energy: -36.321
tors. eta vs tors. theta energy: 19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2289.581073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.581073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.581073 (E_RNA)
where:
Base-Base interactions energy: -1562.656
where: short stacking energy: -667.666
Base-Backbone interact. energy: -5.030
local terms energy: -721.894782
where:
bonds (distance) C4'-P energy: -136.973
bonds (distance) P-C4' energy: -142.400
flat angles C4'-P-C4' energy: -150.460
flat angles P-C4'-P energy: -114.578
tors. eta vs tors. theta energy: -177.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1942.709754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.709754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.709754 (E_RNA)
where:
Base-Base interactions energy: -1247.948
where: short stacking energy: -587.745
Base-Backbone interact. energy: -4.298
local terms energy: -690.463826
where:
bonds (distance) C4'-P energy: -138.677
bonds (distance) P-C4' energy: -135.597
flat angles C4'-P-C4' energy: -157.223
flat angles P-C4'-P energy: -100.471
tors. eta vs tors. theta energy: -158.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1847.165421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.165421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.165421 (E_RNA)
where:
Base-Base interactions energy: -1182.333
where: short stacking energy: -568.576
Base-Backbone interact. energy: -3.406
local terms energy: -661.426959
where:
bonds (distance) C4'-P energy: -130.898
bonds (distance) P-C4' energy: -152.457
flat angles C4'-P-C4' energy: -151.541
flat angles P-C4'-P energy: -85.791
tors. eta vs tors. theta energy: -140.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1739.610553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.610553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.610553 (E_RNA)
where:
Base-Base interactions energy: -1053.183
where: short stacking energy: -523.053
Base-Backbone interact. energy: 2.965
local terms energy: -689.392912
where:
bonds (distance) C4'-P energy: -143.452
bonds (distance) P-C4' energy: -144.135
flat angles C4'-P-C4' energy: -157.621
flat angles P-C4'-P energy: -102.072
tors. eta vs tors. theta energy: -142.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1512.154992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.154992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.154992 (E_RNA)
where:
Base-Base interactions energy: -907.694
where: short stacking energy: -470.620
Base-Backbone interact. energy: 1.321
local terms energy: -605.782092
where:
bonds (distance) C4'-P energy: -126.081
bonds (distance) P-C4' energy: -136.742
flat angles C4'-P-C4' energy: -140.388
flat angles P-C4'-P energy: -92.862
tors. eta vs tors. theta energy: -109.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1434.899203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.899203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.899203 (E_RNA)
where:
Base-Base interactions energy: -873.921
where: short stacking energy: -415.918
Base-Backbone interact. energy: -5.569
local terms energy: -555.408580
where:
bonds (distance) C4'-P energy: -136.152
bonds (distance) P-C4' energy: -134.231
flat angles C4'-P-C4' energy: -135.843
flat angles P-C4'-P energy: -67.753
tors. eta vs tors. theta energy: -81.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1244.405064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.405064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.405064 (E_RNA)
where:
Base-Base interactions energy: -717.693
where: short stacking energy: -366.459
Base-Backbone interact. energy: -2.192
local terms energy: -524.520337
where:
bonds (distance) C4'-P energy: -124.983
bonds (distance) P-C4' energy: -125.570
flat angles C4'-P-C4' energy: -126.488
flat angles P-C4'-P energy: -71.361
tors. eta vs tors. theta energy: -76.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1043.816764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.816764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.816764 (E_RNA)
where:
Base-Base interactions energy: -599.311
where: short stacking energy: -281.007
Base-Backbone interact. energy: 1.628
local terms energy: -446.133136
where:
bonds (distance) C4'-P energy: -110.687
bonds (distance) P-C4' energy: -142.522
flat angles C4'-P-C4' energy: -122.878
flat angles P-C4'-P energy: -53.173
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -805.262243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.262243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.262243 (E_RNA)
where:
Base-Base interactions energy: -406.108
where: short stacking energy: -223.289
Base-Backbone interact. energy: 0.076
local terms energy: -399.230064
where:
bonds (distance) C4'-P energy: -122.767
bonds (distance) P-C4' energy: -105.933
flat angles C4'-P-C4' energy: -114.876
flat angles P-C4'-P energy: -53.774
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -563.678255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.678255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.678255 (E_RNA)
where:
Base-Base interactions energy: -192.272
where: short stacking energy: -157.360
Base-Backbone interact. energy: 10.444
local terms energy: -381.849687
where:
bonds (distance) C4'-P energy: -116.940
bonds (distance) P-C4' energy: -122.969
flat angles C4'-P-C4' energy: -89.362
flat angles P-C4'-P energy: -68.269
tors. eta vs tors. theta energy: 15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2306.662517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.662517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.662517 (E_RNA)
where:
Base-Base interactions energy: -1568.604
where: short stacking energy: -689.941
Base-Backbone interact. energy: 1.505
local terms energy: -739.563104
where:
bonds (distance) C4'-P energy: -141.515
bonds (distance) P-C4' energy: -142.259
flat angles C4'-P-C4' energy: -170.872
flat angles P-C4'-P energy: -102.001
tors. eta vs tors. theta energy: -182.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1969.060037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.060037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.060037 (E_RNA)
where:
Base-Base interactions energy: -1268.292
where: short stacking energy: -594.544
Base-Backbone interact. energy: -1.473
local terms energy: -699.294751
where:
bonds (distance) C4'-P energy: -130.337
bonds (distance) P-C4' energy: -163.072
flat angles C4'-P-C4' energy: -150.647
flat angles P-C4'-P energy: -97.388
tors. eta vs tors. theta energy: -157.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1819.864440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.864440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.864440 (E_RNA)
where:
Base-Base interactions energy: -1158.964
where: short stacking energy: -521.032
Base-Backbone interact. energy: -4.628
local terms energy: -656.272172
where:
bonds (distance) C4'-P energy: -142.496
bonds (distance) P-C4' energy: -131.728
flat angles C4'-P-C4' energy: -146.847
flat angles P-C4'-P energy: -99.379
tors. eta vs tors. theta energy: -135.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1787.215899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.215899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.215899 (E_RNA)
where:
Base-Base interactions energy: -1154.956
where: short stacking energy: -572.721
Base-Backbone interact. energy: 0.015
local terms energy: -632.274465
where:
bonds (distance) C4'-P energy: -123.989
bonds (distance) P-C4' energy: -119.366
flat angles C4'-P-C4' energy: -142.287
flat angles P-C4'-P energy: -97.209
tors. eta vs tors. theta energy: -149.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1534.801311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.801311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.801311 (E_RNA)
where:
Base-Base interactions energy: -951.621
where: short stacking energy: -466.930
Base-Backbone interact. energy: -3.633
local terms energy: -579.547464
where:
bonds (distance) C4'-P energy: -110.200
bonds (distance) P-C4' energy: -134.710
flat angles C4'-P-C4' energy: -160.546
flat angles P-C4'-P energy: -72.168
tors. eta vs tors. theta energy: -101.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1379.899004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.899004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.899004 (E_RNA)
where:
Base-Base interactions energy: -814.321
where: short stacking energy: -385.252
Base-Backbone interact. energy: -0.837
local terms energy: -564.740840
where:
bonds (distance) C4'-P energy: -124.648
bonds (distance) P-C4' energy: -153.040
flat angles C4'-P-C4' energy: -131.355
flat angles P-C4'-P energy: -88.553
tors. eta vs tors. theta energy: -67.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1209.450690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.450690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.450690 (E_RNA)
where:
Base-Base interactions energy: -717.509
where: short stacking energy: -355.401
Base-Backbone interact. energy: 1.985
local terms energy: -493.926724
where:
bonds (distance) C4'-P energy: -115.772
bonds (distance) P-C4' energy: -116.564
flat angles C4'-P-C4' energy: -129.030
flat angles P-C4'-P energy: -82.546
tors. eta vs tors. theta energy: -50.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1292.723165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.723165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.723165 (E_RNA)
where:
Base-Base interactions energy: -763.383
where: short stacking energy: -371.886
Base-Backbone interact. energy: -1.389
local terms energy: -527.950553
where:
bonds (distance) C4'-P energy: -125.978
bonds (distance) P-C4' energy: -132.111
flat angles C4'-P-C4' energy: -105.851
flat angles P-C4'-P energy: -91.923
tors. eta vs tors. theta energy: -72.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -796.092995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.092995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.092995 (E_RNA)
where:
Base-Base interactions energy: -393.008
where: short stacking energy: -237.189
Base-Backbone interact. energy: 0.859
local terms energy: -403.943945
where:
bonds (distance) C4'-P energy: -126.534
bonds (distance) P-C4' energy: -115.775
flat angles C4'-P-C4' energy: -86.062
flat angles P-C4'-P energy: -75.690
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -609.772531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.772531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.772531 (E_RNA)
where:
Base-Base interactions energy: -248.942
where: short stacking energy: -180.334
Base-Backbone interact. energy: 11.353
local terms energy: -372.183526
where:
bonds (distance) C4'-P energy: -99.149
bonds (distance) P-C4' energy: -139.301
flat angles C4'-P-C4' energy: -91.746
flat angles P-C4'-P energy: -68.576
tors. eta vs tors. theta energy: 26.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2318.787591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.787591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.787591 (E_RNA)
where:
Base-Base interactions energy: -1585.205
where: short stacking energy: -710.850
Base-Backbone interact. energy: -3.903
local terms energy: -729.680046
where:
bonds (distance) C4'-P energy: -132.117
bonds (distance) P-C4' energy: -136.580
flat angles C4'-P-C4' energy: -162.740
flat angles P-C4'-P energy: -105.196
tors. eta vs tors. theta energy: -193.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1960.347377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.347377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.347377 (E_RNA)
where:
Base-Base interactions energy: -1265.802
where: short stacking energy: -603.389
Base-Backbone interact. energy: -3.412
local terms energy: -691.132981
where:
bonds (distance) C4'-P energy: -131.667
bonds (distance) P-C4' energy: -154.337
flat angles C4'-P-C4' energy: -162.454
flat angles P-C4'-P energy: -85.539
tors. eta vs tors. theta energy: -157.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1813.314165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.314165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.314165 (E_RNA)
where:
Base-Base interactions energy: -1162.177
where: short stacking energy: -559.072
Base-Backbone interact. energy: -0.077
local terms energy: -651.060145
where:
bonds (distance) C4'-P energy: -130.565
bonds (distance) P-C4' energy: -134.921
flat angles C4'-P-C4' energy: -152.971
flat angles P-C4'-P energy: -90.545
tors. eta vs tors. theta energy: -142.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1795.996924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.996924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.996924 (E_RNA)
where:
Base-Base interactions energy: -1145.917
where: short stacking energy: -543.131
Base-Backbone interact. energy: -3.411
local terms energy: -646.668321
where:
bonds (distance) C4'-P energy: -141.021
bonds (distance) P-C4' energy: -123.819
flat angles C4'-P-C4' energy: -147.924
flat angles P-C4'-P energy: -86.464
tors. eta vs tors. theta energy: -147.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1557.927449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.927449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.927449 (E_RNA)
where:
Base-Base interactions energy: -937.722
where: short stacking energy: -446.740
Base-Backbone interact. energy: -5.208
local terms energy: -614.997399
where:
bonds (distance) C4'-P energy: -138.959
bonds (distance) P-C4' energy: -148.374
flat angles C4'-P-C4' energy: -145.750
flat angles P-C4'-P energy: -77.548
tors. eta vs tors. theta energy: -104.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1390.994731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.994731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.994731 (E_RNA)
where:
Base-Base interactions energy: -861.971
where: short stacking energy: -421.191
Base-Backbone interact. energy: -3.217
local terms energy: -525.807228
where:
bonds (distance) C4'-P energy: -107.323
bonds (distance) P-C4' energy: -120.099
flat angles C4'-P-C4' energy: -122.476
flat angles P-C4'-P energy: -91.529
tors. eta vs tors. theta energy: -84.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1281.996003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.996003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.996003 (E_RNA)
where:
Base-Base interactions energy: -788.045
where: short stacking energy: -391.442
Base-Backbone interact. energy: 0.229
local terms energy: -494.179524
where:
bonds (distance) C4'-P energy: -86.866
bonds (distance) P-C4' energy: -130.174
flat angles C4'-P-C4' energy: -125.276
flat angles P-C4'-P energy: -68.893
tors. eta vs tors. theta energy: -82.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1332.592713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.592713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.592713 (E_RNA)
where:
Base-Base interactions energy: -813.522
where: short stacking energy: -371.348
Base-Backbone interact. energy: 4.232
local terms energy: -523.302362
where:
bonds (distance) C4'-P energy: -131.048
bonds (distance) P-C4' energy: -112.008
flat angles C4'-P-C4' energy: -132.495
flat angles P-C4'-P energy: -79.511
tors. eta vs tors. theta energy: -68.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -813.286728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.286728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.286728 (E_RNA)
where:
Base-Base interactions energy: -389.426
where: short stacking energy: -238.744
Base-Backbone interact. energy: -1.727
local terms energy: -422.134530
where:
bonds (distance) C4'-P energy: -124.000
bonds (distance) P-C4' energy: -113.874
flat angles C4'-P-C4' energy: -103.444
flat angles P-C4'-P energy: -56.387
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -603.143220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.143220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.143220 (E_RNA)
where:
Base-Base interactions energy: -246.837
where: short stacking energy: -167.831
Base-Backbone interact. energy: 1.828
local terms energy: -358.133916
where:
bonds (distance) C4'-P energy: -115.864
bonds (distance) P-C4' energy: -112.832
flat angles C4'-P-C4' energy: -103.342
flat angles P-C4'-P energy: -66.400
tors. eta vs tors. theta energy: 40.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2345.422654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.422654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.422654 (E_RNA)
where:
Base-Base interactions energy: -1572.280
where: short stacking energy: -706.308
Base-Backbone interact. energy: -5.865
local terms energy: -767.276900
where:
bonds (distance) C4'-P energy: -153.594
bonds (distance) P-C4' energy: -154.168
flat angles C4'-P-C4' energy: -155.582
flat angles P-C4'-P energy: -107.569
tors. eta vs tors. theta energy: -196.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2051.031323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.031323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.031323 (E_RNA)
where:
Base-Base interactions energy: -1344.111
where: short stacking energy: -629.690
Base-Backbone interact. energy: -3.704
local terms energy: -703.216265
where:
bonds (distance) C4'-P energy: -134.437
bonds (distance) P-C4' energy: -135.065
flat angles C4'-P-C4' energy: -159.503
flat angles P-C4'-P energy: -105.785
tors. eta vs tors. theta energy: -168.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1854.762396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.762396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.762396 (E_RNA)
where:
Base-Base interactions energy: -1167.723
where: short stacking energy: -567.332
Base-Backbone interact. energy: -0.761
local terms energy: -686.278107
where:
bonds (distance) C4'-P energy: -145.444
bonds (distance) P-C4' energy: -126.985
flat angles C4'-P-C4' energy: -160.050
flat angles P-C4'-P energy: -101.336
tors. eta vs tors. theta energy: -152.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1844.733873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.733873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.733873 (E_RNA)
where:
Base-Base interactions energy: -1170.267
where: short stacking energy: -581.472
Base-Backbone interact. energy: -0.719
local terms energy: -673.748429
where:
bonds (distance) C4'-P energy: -135.748
bonds (distance) P-C4' energy: -149.836
flat angles C4'-P-C4' energy: -147.203
flat angles P-C4'-P energy: -87.942
tors. eta vs tors. theta energy: -153.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1625.813224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.813224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.813224 (E_RNA)
where:
Base-Base interactions energy: -1005.975
where: short stacking energy: -490.475
Base-Backbone interact. energy: -2.982
local terms energy: -616.856513
where:
bonds (distance) C4'-P energy: -129.504
bonds (distance) P-C4' energy: -151.396
flat angles C4'-P-C4' energy: -139.266
flat angles P-C4'-P energy: -83.044
tors. eta vs tors. theta energy: -113.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1433.464063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.464063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.464063 (E_RNA)
where:
Base-Base interactions energy: -864.289
where: short stacking energy: -432.036
Base-Backbone interact. energy: -0.579
local terms energy: -568.595365
where:
bonds (distance) C4'-P energy: -133.534
bonds (distance) P-C4' energy: -127.955
flat angles C4'-P-C4' energy: -119.852
flat angles P-C4'-P energy: -83.152
tors. eta vs tors. theta energy: -104.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1437.267427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.267427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.267427 (E_RNA)
where:
Base-Base interactions energy: -920.838
where: short stacking energy: -434.462
Base-Backbone interact. energy: -1.045
local terms energy: -515.384680
where:
bonds (distance) C4'-P energy: -120.416
bonds (distance) P-C4' energy: -113.281
flat angles C4'-P-C4' energy: -112.653
flat angles P-C4'-P energy: -75.415
tors. eta vs tors. theta energy: -93.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1204.968585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.968585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.968585 (E_RNA)
where:
Base-Base interactions energy: -732.713
where: short stacking energy: -368.745
Base-Backbone interact. energy: 2.892
local terms energy: -475.147568
where:
bonds (distance) C4'-P energy: -107.217
bonds (distance) P-C4' energy: -103.035
flat angles C4'-P-C4' energy: -116.480
flat angles P-C4'-P energy: -83.323
tors. eta vs tors. theta energy: -65.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -811.246504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.246504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.246504 (E_RNA)
where:
Base-Base interactions energy: -429.442
where: short stacking energy: -256.141
Base-Backbone interact. energy: -0.916
local terms energy: -380.888479
where:
bonds (distance) C4'-P energy: -116.120
bonds (distance) P-C4' energy: -99.266
flat angles C4'-P-C4' energy: -92.779
flat angles P-C4'-P energy: -70.340
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -650.295932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.295932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.295932 (E_RNA)
where:
Base-Base interactions energy: -289.508
where: short stacking energy: -195.878
Base-Backbone interact. energy: 1.094
local terms energy: -361.882030
where:
bonds (distance) C4'-P energy: -91.368
bonds (distance) P-C4' energy: -112.538
flat angles C4'-P-C4' energy: -110.462
flat angles P-C4'-P energy: -63.305
tors. eta vs tors. theta energy: 15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2362.333733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.333733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.333733 (E_RNA)
where:
Base-Base interactions energy: -1620.980
where: short stacking energy: -742.291
Base-Backbone interact. energy: -2.478
local terms energy: -738.876105
where:
bonds (distance) C4'-P energy: -142.231
bonds (distance) P-C4' energy: -139.958
flat angles C4'-P-C4' energy: -154.486
flat angles P-C4'-P energy: -100.614
tors. eta vs tors. theta energy: -201.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2065.175413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.175413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.175413 (E_RNA)
where:
Base-Base interactions energy: -1344.021
where: short stacking energy: -632.464
Base-Backbone interact. energy: -0.233
local terms energy: -720.921451
where:
bonds (distance) C4'-P energy: -147.033
bonds (distance) P-C4' energy: -154.270
flat angles C4'-P-C4' energy: -147.476
flat angles P-C4'-P energy: -106.985
tors. eta vs tors. theta energy: -165.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1835.804436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.804436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.804436 (E_RNA)
where:
Base-Base interactions energy: -1150.295
where: short stacking energy: -528.088
Base-Backbone interact. energy: -1.709
local terms energy: -683.800371
where:
bonds (distance) C4'-P energy: -149.842
bonds (distance) P-C4' energy: -142.541
flat angles C4'-P-C4' energy: -155.158
flat angles P-C4'-P energy: -89.690
tors. eta vs tors. theta energy: -146.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1878.010914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.010914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.010914 (E_RNA)
where:
Base-Base interactions energy: -1233.017
where: short stacking energy: -576.812
Base-Backbone interact. energy: -1.999
local terms energy: -642.995296
where:
bonds (distance) C4'-P energy: -136.138
bonds (distance) P-C4' energy: -126.470
flat angles C4'-P-C4' energy: -168.207
flat angles P-C4'-P energy: -59.922
tors. eta vs tors. theta energy: -152.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1566.414956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.414956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.414956 (E_RNA)
where:
Base-Base interactions energy: -971.095
where: short stacking energy: -490.180
Base-Backbone interact. energy: -2.129
local terms energy: -593.191795
where:
bonds (distance) C4'-P energy: -121.240
bonds (distance) P-C4' energy: -126.790
flat angles C4'-P-C4' energy: -142.503
flat angles P-C4'-P energy: -90.604
tors. eta vs tors. theta energy: -112.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1495.206209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.206209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.206209 (E_RNA)
where:
Base-Base interactions energy: -953.024
where: short stacking energy: -459.703
Base-Backbone interact. energy: -2.314
local terms energy: -539.867960
where:
bonds (distance) C4'-P energy: -122.175
bonds (distance) P-C4' energy: -126.145
flat angles C4'-P-C4' energy: -113.999
flat angles P-C4'-P energy: -74.995
tors. eta vs tors. theta energy: -102.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1371.754371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.754371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.754371 (E_RNA)
where:
Base-Base interactions energy: -845.940
where: short stacking energy: -420.792
Base-Backbone interact. energy: 3.249
local terms energy: -529.064112
where:
bonds (distance) C4'-P energy: -113.991
bonds (distance) P-C4' energy: -121.381
flat angles C4'-P-C4' energy: -128.214
flat angles P-C4'-P energy: -77.088
tors. eta vs tors. theta energy: -88.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1147.224647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.224647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.224647 (E_RNA)
where:
Base-Base interactions energy: -673.708
where: short stacking energy: -338.282
Base-Backbone interact. energy: 1.960
local terms energy: -475.476561
where:
bonds (distance) C4'-P energy: -113.667
bonds (distance) P-C4' energy: -138.835
flat angles C4'-P-C4' energy: -116.220
flat angles P-C4'-P energy: -65.758
tors. eta vs tors. theta energy: -40.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -822.252645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.252645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.252645 (E_RNA)
where:
Base-Base interactions energy: -424.612
where: short stacking energy: -227.474
Base-Backbone interact. energy: 3.710
local terms energy: -401.351244
where:
bonds (distance) C4'-P energy: -115.725
bonds (distance) P-C4' energy: -118.157
flat angles C4'-P-C4' energy: -109.754
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -666.432423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.432423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.432423 (E_RNA)
where:
Base-Base interactions energy: -271.737
where: short stacking energy: -184.387
Base-Backbone interact. energy: 2.891
local terms energy: -397.586431
where:
bonds (distance) C4'-P energy: -100.343
bonds (distance) P-C4' energy: -132.210
flat angles C4'-P-C4' energy: -112.667
flat angles P-C4'-P energy: -71.362
tors. eta vs tors. theta energy: 18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2309.846740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.846740 (E_RNA)
where:
Base-Base interactions energy: -1554.083
where: short stacking energy: -673.486
Base-Backbone interact. energy: -5.891
local terms energy: -749.872640
where:
bonds (distance) C4'-P energy: -151.829
bonds (distance) P-C4' energy: -152.528
flat angles C4'-P-C4' energy: -152.770
flat angles P-C4'-P energy: -101.903
tors. eta vs tors. theta energy: -190.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2062.756016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.756016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.756016 (E_RNA)
where:
Base-Base interactions energy: -1343.424
where: short stacking energy: -612.989
Base-Backbone interact. energy: 1.882
local terms energy: -721.214131
where:
bonds (distance) C4'-P energy: -138.896
bonds (distance) P-C4' energy: -150.589
flat angles C4'-P-C4' energy: -165.371
flat angles P-C4'-P energy: -101.278
tors. eta vs tors. theta energy: -165.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2022.183361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.183361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.183361 (E_RNA)
where:
Base-Base interactions energy: -1331.473
where: short stacking energy: -609.717
Base-Backbone interact. energy: -1.617
local terms energy: -689.093259
where:
bonds (distance) C4'-P energy: -147.146
bonds (distance) P-C4' energy: -142.245
flat angles C4'-P-C4' energy: -136.939
flat angles P-C4'-P energy: -103.343
tors. eta vs tors. theta energy: -159.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1849.251448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.251448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.251448 (E_RNA)
where:
Base-Base interactions energy: -1198.573
where: short stacking energy: -561.254
Base-Backbone interact. energy: -3.318
local terms energy: -647.359902
where:
bonds (distance) C4'-P energy: -122.418
bonds (distance) P-C4' energy: -135.142
flat angles C4'-P-C4' energy: -150.862
flat angles P-C4'-P energy: -90.282
tors. eta vs tors. theta energy: -148.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1613.906951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.906951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.906951 (E_RNA)
where:
Base-Base interactions energy: -1023.959
where: short stacking energy: -487.053
Base-Backbone interact. energy: 1.206
local terms energy: -591.153757
where:
bonds (distance) C4'-P energy: -132.765
bonds (distance) P-C4' energy: -124.769
flat angles C4'-P-C4' energy: -144.151
flat angles P-C4'-P energy: -70.604
tors. eta vs tors. theta energy: -118.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1556.856248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.856248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.856248 (E_RNA)
where:
Base-Base interactions energy: -1003.213
where: short stacking energy: -483.505
Base-Backbone interact. energy: -0.458
local terms energy: -553.185006
where:
bonds (distance) C4'-P energy: -101.054
bonds (distance) P-C4' energy: -141.366
flat angles C4'-P-C4' energy: -128.980
flat angles P-C4'-P energy: -90.355
tors. eta vs tors. theta energy: -91.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1389.683798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.683798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.683798 (E_RNA)
where:
Base-Base interactions energy: -842.748
where: short stacking energy: -415.117
Base-Backbone interact. energy: -3.828
local terms energy: -543.108030
where:
bonds (distance) C4'-P energy: -125.151
bonds (distance) P-C4' energy: -136.462
flat angles C4'-P-C4' energy: -119.473
flat angles P-C4'-P energy: -77.903
tors. eta vs tors. theta energy: -84.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1109.370970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.370970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.370970 (E_RNA)
where:
Base-Base interactions energy: -646.604
where: short stacking energy: -343.554
Base-Backbone interact. energy: -0.811
local terms energy: -461.956702
where:
bonds (distance) C4'-P energy: -125.285
bonds (distance) P-C4' energy: -112.007
flat angles C4'-P-C4' energy: -131.020
flat angles P-C4'-P energy: -50.566
tors. eta vs tors. theta energy: -43.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -831.778843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.778843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.778843 (E_RNA)
where:
Base-Base interactions energy: -398.530
where: short stacking energy: -252.024
Base-Backbone interact. energy: 5.196
local terms energy: -438.444195
where:
bonds (distance) C4'-P energy: -131.808
bonds (distance) P-C4' energy: -117.442
flat angles C4'-P-C4' energy: -105.077
flat angles P-C4'-P energy: -56.353
tors. eta vs tors. theta energy: -27.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -617.446655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.446655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.446655 (E_RNA)
where:
Base-Base interactions energy: -258.916
where: short stacking energy: -182.169
Base-Backbone interact. energy: 2.014
local terms energy: -360.544392
where:
bonds (distance) C4'-P energy: -88.234
bonds (distance) P-C4' energy: -139.379
flat angles C4'-P-C4' energy: -98.480
flat angles P-C4'-P energy: -64.028
tors. eta vs tors. theta energy: 29.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2308.709470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.709470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.709470 (E_RNA)
where:
Base-Base interactions energy: -1561.302
where: short stacking energy: -675.751
Base-Backbone interact. energy: -0.669
local terms energy: -746.738838
where:
bonds (distance) C4'-P energy: -139.725
bonds (distance) P-C4' energy: -157.577
flat angles C4'-P-C4' energy: -165.892
flat angles P-C4'-P energy: -99.210
tors. eta vs tors. theta energy: -184.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2009.228972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.228972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.228972 (E_RNA)
where:
Base-Base interactions energy: -1331.833
where: short stacking energy: -605.885
Base-Backbone interact. energy: 0.412
local terms energy: -677.808121
where:
bonds (distance) C4'-P energy: -130.425
bonds (distance) P-C4' energy: -138.456
flat angles C4'-P-C4' energy: -159.047
flat angles P-C4'-P energy: -99.178
tors. eta vs tors. theta energy: -150.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2057.395417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.395417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.395417 (E_RNA)
where:
Base-Base interactions energy: -1359.082
where: short stacking energy: -654.027
Base-Backbone interact. energy: 7.415
local terms energy: -705.728188
where:
bonds (distance) C4'-P energy: -133.575
bonds (distance) P-C4' energy: -144.801
flat angles C4'-P-C4' energy: -154.407
flat angles P-C4'-P energy: -94.824
tors. eta vs tors. theta energy: -178.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1815.994768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.994768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.994768 (E_RNA)
where:
Base-Base interactions energy: -1135.153
where: short stacking energy: -539.522
Base-Backbone interact. energy: -4.266
local terms energy: -676.575709
where:
bonds (distance) C4'-P energy: -147.836
bonds (distance) P-C4' energy: -126.097
flat angles C4'-P-C4' energy: -159.116
flat angles P-C4'-P energy: -108.159
tors. eta vs tors. theta energy: -135.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1613.146139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.146139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.146139 (E_RNA)
where:
Base-Base interactions energy: -1010.074
where: short stacking energy: -462.036
Base-Backbone interact. energy: -1.644
local terms energy: -601.428069
where:
bonds (distance) C4'-P energy: -137.803
bonds (distance) P-C4' energy: -117.396
flat angles C4'-P-C4' energy: -155.626
flat angles P-C4'-P energy: -87.894
tors. eta vs tors. theta energy: -102.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1533.027579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.027579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.027579 (E_RNA)
where:
Base-Base interactions energy: -963.579
where: short stacking energy: -448.191
Base-Backbone interact. energy: 3.068
local terms energy: -572.516080
where:
bonds (distance) C4'-P energy: -123.470
bonds (distance) P-C4' energy: -121.226
flat angles C4'-P-C4' energy: -137.597
flat angles P-C4'-P energy: -81.086
tors. eta vs tors. theta energy: -109.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1347.586573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.586573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.586573 (E_RNA)
where:
Base-Base interactions energy: -840.432
where: short stacking energy: -391.115
Base-Backbone interact. energy: 2.474
local terms energy: -509.629475
where:
bonds (distance) C4'-P energy: -117.112
bonds (distance) P-C4' energy: -116.543
flat angles C4'-P-C4' energy: -138.107
flat angles P-C4'-P energy: -70.839
tors. eta vs tors. theta energy: -67.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1134.690000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.690000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.690000 (E_RNA)
where:
Base-Base interactions energy: -646.367
where: short stacking energy: -328.863
Base-Backbone interact. energy: -1.207
local terms energy: -487.116537
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -124.404
flat angles C4'-P-C4' energy: -116.999
flat angles P-C4'-P energy: -75.266
tors. eta vs tors. theta energy: -62.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -795.519102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.519102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.519102 (E_RNA)
where:
Base-Base interactions energy: -394.807
where: short stacking energy: -231.433
Base-Backbone interact. energy: 9.790
local terms energy: -410.502390
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -100.597
flat angles P-C4'-P energy: -63.488
tors. eta vs tors. theta energy: 6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -673.871907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.871907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.871907 (E_RNA)
where:
Base-Base interactions energy: -291.765
where: short stacking energy: -157.954
Base-Backbone interact. energy: -3.151
local terms energy: -378.955662
where:
bonds (distance) C4'-P energy: -113.437
bonds (distance) P-C4' energy: -136.514
flat angles C4'-P-C4' energy: -109.235
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: 33.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2337.020846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.020846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.020846 (E_RNA)
where:
Base-Base interactions energy: -1589.767
where: short stacking energy: -701.654
Base-Backbone interact. energy: -1.861
local terms energy: -745.392883
where:
bonds (distance) C4'-P energy: -136.804
bonds (distance) P-C4' energy: -144.696
flat angles C4'-P-C4' energy: -172.992
flat angles P-C4'-P energy: -101.336
tors. eta vs tors. theta energy: -189.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2029.748187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.748187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.748187 (E_RNA)
where:
Base-Base interactions energy: -1330.240
where: short stacking energy: -628.401
Base-Backbone interact. energy: 0.375
local terms energy: -699.882561
where:
bonds (distance) C4'-P energy: -136.407
bonds (distance) P-C4' energy: -149.212
flat angles C4'-P-C4' energy: -145.213
flat angles P-C4'-P energy: -105.688
tors. eta vs tors. theta energy: -163.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2008.540190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.540190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.540190 (E_RNA)
where:
Base-Base interactions energy: -1317.558
where: short stacking energy: -644.337
Base-Backbone interact. energy: -4.056
local terms energy: -686.926257
where:
bonds (distance) C4'-P energy: -136.078
bonds (distance) P-C4' energy: -140.630
flat angles C4'-P-C4' energy: -150.008
flat angles P-C4'-P energy: -98.046
tors. eta vs tors. theta energy: -162.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1763.390502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.390502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.390502 (E_RNA)
where:
Base-Base interactions energy: -1115.780
where: short stacking energy: -521.420
Base-Backbone interact. energy: -2.342
local terms energy: -645.268690
where:
bonds (distance) C4'-P energy: -123.041
bonds (distance) P-C4' energy: -140.810
flat angles C4'-P-C4' energy: -147.144
flat angles P-C4'-P energy: -92.913
tors. eta vs tors. theta energy: -141.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1694.665084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.665084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.665084 (E_RNA)
where:
Base-Base interactions energy: -1084.630
where: short stacking energy: -521.579
Base-Backbone interact. energy: -1.310
local terms energy: -608.725600
where:
bonds (distance) C4'-P energy: -129.650
bonds (distance) P-C4' energy: -139.953
flat angles C4'-P-C4' energy: -128.311
flat angles P-C4'-P energy: -99.748
tors. eta vs tors. theta energy: -111.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1579.598073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.598073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.598073 (E_RNA)
where:
Base-Base interactions energy: -994.665
where: short stacking energy: -466.699
Base-Backbone interact. energy: -1.276
local terms energy: -583.657192
where:
bonds (distance) C4'-P energy: -114.567
bonds (distance) P-C4' energy: -129.256
flat angles C4'-P-C4' energy: -139.537
flat angles P-C4'-P energy: -96.164
tors. eta vs tors. theta energy: -104.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1407.226000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.226000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.226000 (E_RNA)
where:
Base-Base interactions energy: -884.923
where: short stacking energy: -435.779
Base-Backbone interact. energy: 2.135
local terms energy: -524.437517
where:
bonds (distance) C4'-P energy: -116.252
bonds (distance) P-C4' energy: -108.352
flat angles C4'-P-C4' energy: -119.102
flat angles P-C4'-P energy: -84.091
tors. eta vs tors. theta energy: -96.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1113.393657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.393657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.393657 (E_RNA)
where:
Base-Base interactions energy: -625.290
where: short stacking energy: -352.313
Base-Backbone interact. energy: -2.678
local terms energy: -485.425604
where:
bonds (distance) C4'-P energy: -107.504
bonds (distance) P-C4' energy: -131.635
flat angles C4'-P-C4' energy: -116.471
flat angles P-C4'-P energy: -79.849
tors. eta vs tors. theta energy: -49.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -829.734625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.734625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.734625 (E_RNA)
where:
Base-Base interactions energy: -415.409
where: short stacking energy: -234.564
Base-Backbone interact. energy: 1.095
local terms energy: -415.421154
where:
bonds (distance) C4'-P energy: -142.304
bonds (distance) P-C4' energy: -111.357
flat angles C4'-P-C4' energy: -99.839
flat angles P-C4'-P energy: -64.172
tors. eta vs tors. theta energy: 2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -661.831584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.831584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.831584 (E_RNA)
where:
Base-Base interactions energy: -295.905
where: short stacking energy: -185.160
Base-Backbone interact. energy: 0.431
local terms energy: -366.357758
where:
bonds (distance) C4'-P energy: -125.222
bonds (distance) P-C4' energy: -116.901
flat angles C4'-P-C4' energy: -89.515
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: 1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2360.506801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.506801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.506801 (E_RNA)
where:
Base-Base interactions energy: -1615.120
where: short stacking energy: -698.014
Base-Backbone interact. energy: -4.029
local terms energy: -741.357317
where:
bonds (distance) C4'-P energy: -138.046
bonds (distance) P-C4' energy: -150.909
flat angles C4'-P-C4' energy: -144.159
flat angles P-C4'-P energy: -119.084
tors. eta vs tors. theta energy: -189.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2043.211416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.211416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.211416 (E_RNA)
where:
Base-Base interactions energy: -1367.008
where: short stacking energy: -634.718
Base-Backbone interact. energy: -2.297
local terms energy: -673.905877
where:
bonds (distance) C4'-P energy: -140.792
bonds (distance) P-C4' energy: -142.189
flat angles C4'-P-C4' energy: -152.207
flat angles P-C4'-P energy: -87.633
tors. eta vs tors. theta energy: -151.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1997.017124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.017124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.017124 (E_RNA)
where:
Base-Base interactions energy: -1283.876
where: short stacking energy: -598.074
Base-Backbone interact. energy: -3.762
local terms energy: -709.379034
where:
bonds (distance) C4'-P energy: -143.717
bonds (distance) P-C4' energy: -144.672
flat angles C4'-P-C4' energy: -150.190
flat angles P-C4'-P energy: -108.451
tors. eta vs tors. theta energy: -162.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1736.259365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.259365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.259365 (E_RNA)
where:
Base-Base interactions energy: -1117.362
where: short stacking energy: -516.832
Base-Backbone interact. energy: -4.932
local terms energy: -613.965461
where:
bonds (distance) C4'-P energy: -120.207
bonds (distance) P-C4' energy: -126.084
flat angles C4'-P-C4' energy: -150.254
flat angles P-C4'-P energy: -89.091
tors. eta vs tors. theta energy: -128.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1692.352277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.352277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.352277 (E_RNA)
where:
Base-Base interactions energy: -1070.663
where: short stacking energy: -503.832
Base-Backbone interact. energy: -2.267
local terms energy: -619.422393
where:
bonds (distance) C4'-P energy: -122.017
bonds (distance) P-C4' energy: -147.835
flat angles C4'-P-C4' energy: -131.400
flat angles P-C4'-P energy: -102.314
tors. eta vs tors. theta energy: -115.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1568.321370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.321370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.321370 (E_RNA)
where:
Base-Base interactions energy: -1010.263
where: short stacking energy: -470.080
Base-Backbone interact. energy: 1.569
local terms energy: -559.627336
where:
bonds (distance) C4'-P energy: -109.436
bonds (distance) P-C4' energy: -118.491
flat angles C4'-P-C4' energy: -130.180
flat angles P-C4'-P energy: -107.583
tors. eta vs tors. theta energy: -93.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1436.831889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.831889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.831889 (E_RNA)
where:
Base-Base interactions energy: -877.697
where: short stacking energy: -414.343
Base-Backbone interact. energy: -0.165
local terms energy: -558.969476
where:
bonds (distance) C4'-P energy: -126.188
bonds (distance) P-C4' energy: -138.283
flat angles C4'-P-C4' energy: -138.471
flat angles P-C4'-P energy: -56.330
tors. eta vs tors. theta energy: -99.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1055.755040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.755040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.755040 (E_RNA)
where:
Base-Base interactions energy: -555.585
where: short stacking energy: -305.731
Base-Backbone interact. energy: -2.160
local terms energy: -498.010333
where:
bonds (distance) C4'-P energy: -135.398
bonds (distance) P-C4' energy: -114.777
flat angles C4'-P-C4' energy: -129.791
flat angles P-C4'-P energy: -71.551
tors. eta vs tors. theta energy: -46.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -796.639139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.639139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.639139 (E_RNA)
where:
Base-Base interactions energy: -399.112
where: short stacking energy: -237.412
Base-Backbone interact. energy: 0.611
local terms energy: -398.138089
where:
bonds (distance) C4'-P energy: -123.764
bonds (distance) P-C4' energy: -111.702
flat angles C4'-P-C4' energy: -110.626
flat angles P-C4'-P energy: -46.995
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -632.540594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.540594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.540594 (E_RNA)
where:
Base-Base interactions energy: -237.036
where: short stacking energy: -169.154
Base-Backbone interact. energy: 1.205
local terms energy: -396.709783
where:
bonds (distance) C4'-P energy: -127.192
bonds (distance) P-C4' energy: -123.760
flat angles C4'-P-C4' energy: -113.384
flat angles P-C4'-P energy: -50.280
tors. eta vs tors. theta energy: 17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2346.511032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.511032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.511032 (E_RNA)
where:
Base-Base interactions energy: -1634.870
where: short stacking energy: -703.250
Base-Backbone interact. energy: -2.668
local terms energy: -708.973782
where:
bonds (distance) C4'-P energy: -136.485
bonds (distance) P-C4' energy: -133.536
flat angles C4'-P-C4' energy: -151.875
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -186.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2086.607002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.607002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.607002 (E_RNA)
where:
Base-Base interactions energy: -1372.518
where: short stacking energy: -647.046
Base-Backbone interact. energy: -2.186
local terms energy: -711.903278
where:
bonds (distance) C4'-P energy: -129.488
bonds (distance) P-C4' energy: -151.269
flat angles C4'-P-C4' energy: -156.307
flat angles P-C4'-P energy: -110.649
tors. eta vs tors. theta energy: -164.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2010.759284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.759284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.759284 (E_RNA)
where:
Base-Base interactions energy: -1319.061
where: short stacking energy: -634.398
Base-Backbone interact. energy: -2.412
local terms energy: -689.286585
where:
bonds (distance) C4'-P energy: -135.914
bonds (distance) P-C4' energy: -136.125
flat angles C4'-P-C4' energy: -149.105
flat angles P-C4'-P energy: -101.892
tors. eta vs tors. theta energy: -166.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1737.239536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.239536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.239536 (E_RNA)
where:
Base-Base interactions energy: -1077.539
where: short stacking energy: -538.562
Base-Backbone interact. energy: -3.249
local terms energy: -656.451875
where:
bonds (distance) C4'-P energy: -137.841
bonds (distance) P-C4' energy: -134.146
flat angles C4'-P-C4' energy: -158.915
flat angles P-C4'-P energy: -88.183
tors. eta vs tors. theta energy: -137.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1750.363144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.363144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.363144 (E_RNA)
where:
Base-Base interactions energy: -1079.219
where: short stacking energy: -519.517
Base-Backbone interact. energy: -3.053
local terms energy: -668.090593
where:
bonds (distance) C4'-P energy: -154.649
bonds (distance) P-C4' energy: -144.204
flat angles C4'-P-C4' energy: -149.840
flat angles P-C4'-P energy: -85.093
tors. eta vs tors. theta energy: -134.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1617.250715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.250715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.250715 (E_RNA)
where:
Base-Base interactions energy: -1007.372
where: short stacking energy: -467.951
Base-Backbone interact. energy: 3.060
local terms energy: -612.938773
where:
bonds (distance) C4'-P energy: -128.190
bonds (distance) P-C4' energy: -147.686
flat angles C4'-P-C4' energy: -131.061
flat angles P-C4'-P energy: -91.810
tors. eta vs tors. theta energy: -114.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1460.778666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.778666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.778666 (E_RNA)
where:
Base-Base interactions energy: -922.729
where: short stacking energy: -428.594
Base-Backbone interact. energy: 1.738
local terms energy: -539.788502
where:
bonds (distance) C4'-P energy: -115.515
bonds (distance) P-C4' energy: -132.111
flat angles C4'-P-C4' energy: -113.145
flat angles P-C4'-P energy: -86.408
tors. eta vs tors. theta energy: -92.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1082.580280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.580280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.580280 (E_RNA)
where:
Base-Base interactions energy: -628.862
where: short stacking energy: -323.395
Base-Backbone interact. energy: -3.125
local terms energy: -450.592930
where:
bonds (distance) C4'-P energy: -84.589
bonds (distance) P-C4' energy: -111.772
flat angles C4'-P-C4' energy: -133.625
flat angles P-C4'-P energy: -62.876
tors. eta vs tors. theta energy: -57.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -809.563679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.563679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.563679 (E_RNA)
where:
Base-Base interactions energy: -403.763
where: short stacking energy: -228.947
Base-Backbone interact. energy: 1.511
local terms energy: -407.312428
where:
bonds (distance) C4'-P energy: -126.696
bonds (distance) P-C4' energy: -98.819
flat angles C4'-P-C4' energy: -95.617
flat angles P-C4'-P energy: -77.885
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -655.231430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.231430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.231430 (E_RNA)
where:
Base-Base interactions energy: -303.598
where: short stacking energy: -191.890
Base-Backbone interact. energy: 0.954
local terms energy: -352.587356
where:
bonds (distance) C4'-P energy: -104.755
bonds (distance) P-C4' energy: -116.407
flat angles C4'-P-C4' energy: -108.547
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: 21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2372.090013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.090013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.090013 (E_RNA)
where:
Base-Base interactions energy: -1608.272
where: short stacking energy: -698.553
Base-Backbone interact. energy: 0.524
local terms energy: -764.341829
where:
bonds (distance) C4'-P energy: -133.915
bonds (distance) P-C4' energy: -156.970
flat angles C4'-P-C4' energy: -168.092
flat angles P-C4'-P energy: -110.353
tors. eta vs tors. theta energy: -195.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2117.124151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.124151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.124151 (E_RNA)
where:
Base-Base interactions energy: -1389.423
where: short stacking energy: -655.761
Base-Backbone interact. energy: -0.822
local terms energy: -726.879083
where:
bonds (distance) C4'-P energy: -136.338
bonds (distance) P-C4' energy: -138.440
flat angles C4'-P-C4' energy: -158.878
flat angles P-C4'-P energy: -112.801
tors. eta vs tors. theta energy: -180.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2002.558108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.558108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.558108 (E_RNA)
where:
Base-Base interactions energy: -1307.666
where: short stacking energy: -610.947
Base-Backbone interact. energy: 1.605
local terms energy: -696.497207
where:
bonds (distance) C4'-P energy: -126.119
bonds (distance) P-C4' energy: -144.861
flat angles C4'-P-C4' energy: -159.337
flat angles P-C4'-P energy: -105.843
tors. eta vs tors. theta energy: -160.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1776.357879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.357879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.357879 (E_RNA)
where:
Base-Base interactions energy: -1133.280
where: short stacking energy: -549.940
Base-Backbone interact. energy: -3.288
local terms energy: -639.790297
where:
bonds (distance) C4'-P energy: -139.367
bonds (distance) P-C4' energy: -142.869
flat angles C4'-P-C4' energy: -146.589
flat angles P-C4'-P energy: -83.287
tors. eta vs tors. theta energy: -127.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1708.140163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.140163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.140163 (E_RNA)
where:
Base-Base interactions energy: -1147.483
where: short stacking energy: -532.328
Base-Backbone interact. energy: -3.776
local terms energy: -556.881448
where:
bonds (distance) C4'-P energy: -114.349
bonds (distance) P-C4' energy: -124.164
flat angles C4'-P-C4' energy: -128.628
flat angles P-C4'-P energy: -79.934
tors. eta vs tors. theta energy: -109.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1617.356204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.356204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.356204 (E_RNA)
where:
Base-Base interactions energy: -1037.740
where: short stacking energy: -491.844
Base-Backbone interact. energy: 1.919
local terms energy: -581.535434
where:
bonds (distance) C4'-P energy: -121.001
bonds (distance) P-C4' energy: -126.373
flat angles C4'-P-C4' energy: -134.905
flat angles P-C4'-P energy: -76.161
tors. eta vs tors. theta energy: -123.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1534.797498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.797498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.797498 (E_RNA)
where:
Base-Base interactions energy: -975.425
where: short stacking energy: -440.113
Base-Backbone interact. energy: -2.828
local terms energy: -556.545033
where:
bonds (distance) C4'-P energy: -118.892
bonds (distance) P-C4' energy: -119.557
flat angles C4'-P-C4' energy: -133.715
flat angles P-C4'-P energy: -93.700
tors. eta vs tors. theta energy: -90.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1114.820815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.820815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.820815 (E_RNA)
where:
Base-Base interactions energy: -586.311
where: short stacking energy: -309.931
Base-Backbone interact. energy: -1.860
local terms energy: -526.649636
where:
bonds (distance) C4'-P energy: -123.880
bonds (distance) P-C4' energy: -140.198
flat angles C4'-P-C4' energy: -120.652
flat angles P-C4'-P energy: -91.346
tors. eta vs tors. theta energy: -50.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -928.417033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.417033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.417033 (E_RNA)
where:
Base-Base interactions energy: -504.585
where: short stacking energy: -253.756
Base-Backbone interact. energy: -2.194
local terms energy: -421.637779
where:
bonds (distance) C4'-P energy: -114.419
bonds (distance) P-C4' energy: -129.342
flat angles C4'-P-C4' energy: -87.724
flat angles P-C4'-P energy: -73.951
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -662.824517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.824517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.824517 (E_RNA)
where:
Base-Base interactions energy: -259.077
where: short stacking energy: -173.273
Base-Backbone interact. energy: 4.804
local terms energy: -408.551591
where:
bonds (distance) C4'-P energy: -119.244
bonds (distance) P-C4' energy: -122.139
flat angles C4'-P-C4' energy: -100.009
flat angles P-C4'-P energy: -63.447
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2353.108560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.108560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.108560 (E_RNA)
where:
Base-Base interactions energy: -1607.179
where: short stacking energy: -692.272
Base-Backbone interact. energy: -2.495
local terms energy: -743.435118
where:
bonds (distance) C4'-P energy: -141.184
bonds (distance) P-C4' energy: -141.702
flat angles C4'-P-C4' energy: -171.743
flat angles P-C4'-P energy: -112.181
tors. eta vs tors. theta energy: -176.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2102.115598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.115598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.115598 (E_RNA)
where:
Base-Base interactions energy: -1364.721
where: short stacking energy: -645.511
Base-Backbone interact. energy: -3.778
local terms energy: -733.616689
where:
bonds (distance) C4'-P energy: -138.393
bonds (distance) P-C4' energy: -143.938
flat angles C4'-P-C4' energy: -162.798
flat angles P-C4'-P energy: -106.909
tors. eta vs tors. theta energy: -181.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2009.503005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.503005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.503005 (E_RNA)
where:
Base-Base interactions energy: -1317.077
where: short stacking energy: -576.220
Base-Backbone interact. energy: -6.020
local terms energy: -686.405669
where:
bonds (distance) C4'-P energy: -131.967
bonds (distance) P-C4' energy: -144.874
flat angles C4'-P-C4' energy: -146.152
flat angles P-C4'-P energy: -103.649
tors. eta vs tors. theta energy: -159.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1750.950254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.950254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.950254 (E_RNA)
where:
Base-Base interactions energy: -1086.208
where: short stacking energy: -495.723
Base-Backbone interact. energy: -4.434
local terms energy: -660.308525
where:
bonds (distance) C4'-P energy: -144.918
bonds (distance) P-C4' energy: -145.907
flat angles C4'-P-C4' energy: -152.550
flat angles P-C4'-P energy: -90.592
tors. eta vs tors. theta energy: -126.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1760.197010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.197010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.197010 (E_RNA)
where:
Base-Base interactions energy: -1116.099
where: short stacking energy: -529.147
Base-Backbone interact. energy: -6.019
local terms energy: -638.079507
where:
bonds (distance) C4'-P energy: -144.462
bonds (distance) P-C4' energy: -132.037
flat angles C4'-P-C4' energy: -134.184
flat angles P-C4'-P energy: -94.383
tors. eta vs tors. theta energy: -133.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1802.609389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.609389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.609389 (E_RNA)
where:
Base-Base interactions energy: -1197.086
where: short stacking energy: -528.805
Base-Backbone interact. energy: -1.018
local terms energy: -604.505794
where:
bonds (distance) C4'-P energy: -115.769
bonds (distance) P-C4' energy: -136.991
flat angles C4'-P-C4' energy: -145.277
flat angles P-C4'-P energy: -81.549
tors. eta vs tors. theta energy: -124.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1623.074094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.074094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.074094 (E_RNA)
where:
Base-Base interactions energy: -1071.018
where: short stacking energy: -481.055
Base-Backbone interact. energy: 6.057
local terms energy: -558.112777
where:
bonds (distance) C4'-P energy: -139.469
bonds (distance) P-C4' energy: -112.443
flat angles C4'-P-C4' energy: -130.380
flat angles P-C4'-P energy: -72.354
tors. eta vs tors. theta energy: -103.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1099.458760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.458760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.458760 (E_RNA)
where:
Base-Base interactions energy: -620.847
where: short stacking energy: -320.737
Base-Backbone interact. energy: 2.792
local terms energy: -481.403503
where:
bonds (distance) C4'-P energy: -94.304
bonds (distance) P-C4' energy: -129.722
flat angles C4'-P-C4' energy: -130.143
flat angles P-C4'-P energy: -69.828
tors. eta vs tors. theta energy: -57.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -834.438242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.438242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.438242 (E_RNA)
where:
Base-Base interactions energy: -413.340
where: short stacking energy: -238.625
Base-Backbone interact. energy: -1.544
local terms energy: -419.554842
where:
bonds (distance) C4'-P energy: -108.568
bonds (distance) P-C4' energy: -140.199
flat angles C4'-P-C4' energy: -119.986
flat angles P-C4'-P energy: -63.395
tors. eta vs tors. theta energy: 12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -629.144482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.144482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.144482 (E_RNA)
where:
Base-Base interactions energy: -279.880
where: short stacking energy: -204.611
Base-Backbone interact. energy: 0.706
local terms energy: -349.969954
where:
bonds (distance) C4'-P energy: -96.905
bonds (distance) P-C4' energy: -111.456
flat angles C4'-P-C4' energy: -105.255
flat angles P-C4'-P energy: -61.271
tors. eta vs tors. theta energy: 24.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2372.638448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.638448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.638448 (E_RNA)
where:
Base-Base interactions energy: -1639.325
where: short stacking energy: -698.905
Base-Backbone interact. energy: -7.105
local terms energy: -726.208316
where:
bonds (distance) C4'-P energy: -122.692
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -165.813
flat angles P-C4'-P energy: -99.414
tors. eta vs tors. theta energy: -188.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2113.001967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.001967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.001967 (E_RNA)
where:
Base-Base interactions energy: -1408.643
where: short stacking energy: -642.526
Base-Backbone interact. energy: -3.240
local terms energy: -701.118307
where:
bonds (distance) C4'-P energy: -134.533
bonds (distance) P-C4' energy: -151.320
flat angles C4'-P-C4' energy: -154.299
flat angles P-C4'-P energy: -89.479
tors. eta vs tors. theta energy: -171.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2028.512290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.512290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.512290 (E_RNA)
where:
Base-Base interactions energy: -1348.003
where: short stacking energy: -612.192
Base-Backbone interact. energy: -0.063
local terms energy: -680.447027
where:
bonds (distance) C4'-P energy: -132.645
bonds (distance) P-C4' energy: -150.016
flat angles C4'-P-C4' energy: -147.785
flat angles P-C4'-P energy: -96.012
tors. eta vs tors. theta energy: -153.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1784.563082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.563082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.563082 (E_RNA)
where:
Base-Base interactions energy: -1138.183
where: short stacking energy: -531.995
Base-Backbone interact. energy: -3.768
local terms energy: -642.612171
where:
bonds (distance) C4'-P energy: -123.800
bonds (distance) P-C4' energy: -134.351
flat angles C4'-P-C4' energy: -155.595
flat angles P-C4'-P energy: -95.994
tors. eta vs tors. theta energy: -132.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1676.924485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.924485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.924485 (E_RNA)
where:
Base-Base interactions energy: -1079.756
where: short stacking energy: -497.541
Base-Backbone interact. energy: -2.202
local terms energy: -594.966893
where:
bonds (distance) C4'-P energy: -130.484
bonds (distance) P-C4' energy: -142.360
flat angles C4'-P-C4' energy: -134.261
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -106.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1779.171597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.171597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.171597 (E_RNA)
where:
Base-Base interactions energy: -1233.064
where: short stacking energy: -549.746
Base-Backbone interact. energy: 0.265
local terms energy: -546.372981
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -104.688
flat angles C4'-P-C4' energy: -133.848
flat angles P-C4'-P energy: -75.024
tors. eta vs tors. theta energy: -130.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1564.152476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.152476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.152476 (E_RNA)
where:
Base-Base interactions energy: -997.574
where: short stacking energy: -464.379
Base-Backbone interact. energy: 3.951
local terms energy: -570.529156
where:
bonds (distance) C4'-P energy: -105.238
bonds (distance) P-C4' energy: -124.559
flat angles C4'-P-C4' energy: -134.844
flat angles P-C4'-P energy: -96.844
tors. eta vs tors. theta energy: -109.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1066.757565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.757565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.757565 (E_RNA)
where:
Base-Base interactions energy: -627.675
where: short stacking energy: -324.933
Base-Backbone interact. energy: 0.366
local terms energy: -439.448514
where:
bonds (distance) C4'-P energy: -116.301
bonds (distance) P-C4' energy: -117.826
flat angles C4'-P-C4' energy: -129.332
flat angles P-C4'-P energy: -52.085
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -831.662248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.662248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.662248 (E_RNA)
where:
Base-Base interactions energy: -416.284
where: short stacking energy: -260.878
Base-Backbone interact. energy: -0.477
local terms energy: -414.900804
where:
bonds (distance) C4'-P energy: -105.803
bonds (distance) P-C4' energy: -138.884
flat angles C4'-P-C4' energy: -114.833
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -649.270434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.270434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.270434 (E_RNA)
where:
Base-Base interactions energy: -281.131
where: short stacking energy: -194.708
Base-Backbone interact. energy: 4.237
local terms energy: -372.376371
where:
bonds (distance) C4'-P energy: -123.524
bonds (distance) P-C4' energy: -121.130
flat angles C4'-P-C4' energy: -77.944
flat angles P-C4'-P energy: -63.444
tors. eta vs tors. theta energy: 13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2436.065743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.065743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.065743 (E_RNA)
where:
Base-Base interactions energy: -1671.443
where: short stacking energy: -718.574
Base-Backbone interact. energy: -5.387
local terms energy: -759.235718
where:
bonds (distance) C4'-P energy: -146.745
bonds (distance) P-C4' energy: -137.877
flat angles C4'-P-C4' energy: -165.475
flat angles P-C4'-P energy: -110.502
tors. eta vs tors. theta energy: -198.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2151.373341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.373341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.373341 (E_RNA)
where:
Base-Base interactions energy: -1429.260
where: short stacking energy: -663.581
Base-Backbone interact. energy: -0.857
local terms energy: -721.256381
where:
bonds (distance) C4'-P energy: -148.524
bonds (distance) P-C4' energy: -134.302
flat angles C4'-P-C4' energy: -157.052
flat angles P-C4'-P energy: -103.796
tors. eta vs tors. theta energy: -177.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2096.584140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.584140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.584140 (E_RNA)
where:
Base-Base interactions energy: -1404.378
where: short stacking energy: -651.530
Base-Backbone interact. energy: 4.650
local terms energy: -696.856376
where:
bonds (distance) C4'-P energy: -138.464
bonds (distance) P-C4' energy: -130.643
flat angles C4'-P-C4' energy: -153.332
flat angles P-C4'-P energy: -96.735
tors. eta vs tors. theta energy: -177.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1749.992234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.992234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.992234 (E_RNA)
where:
Base-Base interactions energy: -1104.256
where: short stacking energy: -534.599
Base-Backbone interact. energy: -4.784
local terms energy: -640.951988
where:
bonds (distance) C4'-P energy: -135.215
bonds (distance) P-C4' energy: -131.037
flat angles C4'-P-C4' energy: -149.659
flat angles P-C4'-P energy: -94.037
tors. eta vs tors. theta energy: -131.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1878.400426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.400426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.400426 (E_RNA)
where:
Base-Base interactions energy: -1245.916
where: short stacking energy: -566.256
Base-Backbone interact. energy: 1.209
local terms energy: -633.693867
where:
bonds (distance) C4'-P energy: -129.058
bonds (distance) P-C4' energy: -119.779
flat angles C4'-P-C4' energy: -147.889
flat angles P-C4'-P energy: -79.217
tors. eta vs tors. theta energy: -157.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1603.532065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.532065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.532065 (E_RNA)
where:
Base-Base interactions energy: -1004.987
where: short stacking energy: -464.857
Base-Backbone interact. energy: -3.048
local terms energy: -595.497425
where:
bonds (distance) C4'-P energy: -117.819
bonds (distance) P-C4' energy: -131.921
flat angles C4'-P-C4' energy: -137.618
flat angles P-C4'-P energy: -90.447
tors. eta vs tors. theta energy: -117.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1572.007054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.007054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.007054 (E_RNA)
where:
Base-Base interactions energy: -1000.289
where: short stacking energy: -452.917
Base-Backbone interact. energy: -1.274
local terms energy: -570.444626
where:
bonds (distance) C4'-P energy: -113.165
bonds (distance) P-C4' energy: -121.627
flat angles C4'-P-C4' energy: -134.812
flat angles P-C4'-P energy: -100.786
tors. eta vs tors. theta energy: -100.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1068.495464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.495464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.495464 (E_RNA)
where:
Base-Base interactions energy: -618.671
where: short stacking energy: -311.714
Base-Backbone interact. energy: 1.153
local terms energy: -450.977805
where:
bonds (distance) C4'-P energy: -101.102
bonds (distance) P-C4' energy: -141.318
flat angles C4'-P-C4' energy: -99.659
flat angles P-C4'-P energy: -68.671
tors. eta vs tors. theta energy: -40.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -829.659173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.659173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.659173 (E_RNA)
where:
Base-Base interactions energy: -422.177
where: short stacking energy: -252.825
Base-Backbone interact. energy: 2.952
local terms energy: -410.434869
where:
bonds (distance) C4'-P energy: -108.443
bonds (distance) P-C4' energy: -125.640
flat angles C4'-P-C4' energy: -106.051
flat angles P-C4'-P energy: -63.755
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -641.262889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.262889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.262889 (E_RNA)
where:
Base-Base interactions energy: -272.897
where: short stacking energy: -171.027
Base-Backbone interact. energy: -1.785
local terms energy: -366.580507
where:
bonds (distance) C4'-P energy: -66.554
bonds (distance) P-C4' energy: -119.950
flat angles C4'-P-C4' energy: -117.675
flat angles P-C4'-P energy: -69.479
tors. eta vs tors. theta energy: 7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2403.472321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.472321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.472321 (E_RNA)
where:
Base-Base interactions energy: -1614.403
where: short stacking energy: -682.242
Base-Backbone interact. energy: -5.683
local terms energy: -783.386555
where:
bonds (distance) C4'-P energy: -144.575
bonds (distance) P-C4' energy: -161.381
flat angles C4'-P-C4' energy: -172.602
flat angles P-C4'-P energy: -114.371
tors. eta vs tors. theta energy: -190.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2183.649855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.649855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.649855 (E_RNA)
where:
Base-Base interactions energy: -1443.326
where: short stacking energy: -682.378
Base-Backbone interact. energy: -4.368
local terms energy: -735.955240
where:
bonds (distance) C4'-P energy: -137.291
bonds (distance) P-C4' energy: -152.230
flat angles C4'-P-C4' energy: -159.881
flat angles P-C4'-P energy: -99.795
tors. eta vs tors. theta energy: -186.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2088.181057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.181057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.181057 (E_RNA)
where:
Base-Base interactions energy: -1395.559
where: short stacking energy: -640.323
Base-Backbone interact. energy: -3.148
local terms energy: -689.474329
where:
bonds (distance) C4'-P energy: -145.491
bonds (distance) P-C4' energy: -136.417
flat angles C4'-P-C4' energy: -140.704
flat angles P-C4'-P energy: -100.435
tors. eta vs tors. theta energy: -166.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1970.251330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.251330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.251330 (E_RNA)
where:
Base-Base interactions energy: -1290.459
where: short stacking energy: -578.396
Base-Backbone interact. energy: 0.512
local terms energy: -680.304183
where:
bonds (distance) C4'-P energy: -132.280
bonds (distance) P-C4' energy: -136.841
flat angles C4'-P-C4' energy: -163.317
flat angles P-C4'-P energy: -97.470
tors. eta vs tors. theta energy: -150.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1712.714702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.714702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.714702 (E_RNA)
where:
Base-Base interactions energy: -1124.515
where: short stacking energy: -495.731
Base-Backbone interact. energy: -0.285
local terms energy: -587.915101
where:
bonds (distance) C4'-P energy: -144.675
bonds (distance) P-C4' energy: -134.650
flat angles C4'-P-C4' energy: -129.473
flat angles P-C4'-P energy: -70.646
tors. eta vs tors. theta energy: -108.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1565.745102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.745102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.745102 (E_RNA)
where:
Base-Base interactions energy: -1019.443
where: short stacking energy: -493.883
Base-Backbone interact. energy: 2.245
local terms energy: -548.547100
where:
bonds (distance) C4'-P energy: -109.874
bonds (distance) P-C4' energy: -132.138
flat angles C4'-P-C4' energy: -126.989
flat angles P-C4'-P energy: -79.437
tors. eta vs tors. theta energy: -100.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1602.215066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.215066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.215066 (E_RNA)
where:
Base-Base interactions energy: -1027.198
where: short stacking energy: -454.717
Base-Backbone interact. energy: -1.999
local terms energy: -573.017842
where:
bonds (distance) C4'-P energy: -130.029
bonds (distance) P-C4' energy: -113.702
flat angles C4'-P-C4' energy: -139.034
flat angles P-C4'-P energy: -86.286
tors. eta vs tors. theta energy: -103.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1108.318127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.318127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.318127 (E_RNA)
where:
Base-Base interactions energy: -617.194
where: short stacking energy: -338.898
Base-Backbone interact. energy: -1.894
local terms energy: -489.229799
where:
bonds (distance) C4'-P energy: -118.379
bonds (distance) P-C4' energy: -124.591
flat angles C4'-P-C4' energy: -131.805
flat angles P-C4'-P energy: -65.391
tors. eta vs tors. theta energy: -49.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -804.004925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.004925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.004925 (E_RNA)
where:
Base-Base interactions energy: -402.305
where: short stacking energy: -230.859
Base-Backbone interact. energy: 2.992
local terms energy: -404.691626
where:
bonds (distance) C4'-P energy: -119.740
bonds (distance) P-C4' energy: -121.575
flat angles C4'-P-C4' energy: -112.128
flat angles P-C4'-P energy: -66.581
tors. eta vs tors. theta energy: 15.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -673.746439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.746439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.746439 (E_RNA)
where:
Base-Base interactions energy: -290.345
where: short stacking energy: -203.559
Base-Backbone interact. energy: -1.443
local terms energy: -381.958992
where:
bonds (distance) C4'-P energy: -105.940
bonds (distance) P-C4' energy: -143.053
flat angles C4'-P-C4' energy: -104.854
flat angles P-C4'-P energy: -50.562
tors. eta vs tors. theta energy: 22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2380.268093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.268093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.268093 (E_RNA)
where:
Base-Base interactions energy: -1626.707
where: short stacking energy: -695.986
Base-Backbone interact. energy: -3.900
local terms energy: -749.660560
where:
bonds (distance) C4'-P energy: -136.710
bonds (distance) P-C4' energy: -144.011
flat angles C4'-P-C4' energy: -165.672
flat angles P-C4'-P energy: -113.169
tors. eta vs tors. theta energy: -190.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2225.449463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.449463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.449463 (E_RNA)
where:
Base-Base interactions energy: -1512.369
where: short stacking energy: -682.824
Base-Backbone interact. energy: -1.119
local terms energy: -711.961712
where:
bonds (distance) C4'-P energy: -128.855
bonds (distance) P-C4' energy: -136.335
flat angles C4'-P-C4' energy: -161.180
flat angles P-C4'-P energy: -92.718
tors. eta vs tors. theta energy: -192.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2165.614780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.614780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.614780 (E_RNA)
where:
Base-Base interactions energy: -1463.536
where: short stacking energy: -657.615
Base-Backbone interact. energy: -1.839
local terms energy: -700.240606
where:
bonds (distance) C4'-P energy: -154.726
bonds (distance) P-C4' energy: -127.890
flat angles C4'-P-C4' energy: -145.802
flat angles P-C4'-P energy: -95.758
tors. eta vs tors. theta energy: -176.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1969.352146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.352146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.352146 (E_RNA)
where:
Base-Base interactions energy: -1292.351
where: short stacking energy: -585.753
Base-Backbone interact. energy: -1.649
local terms energy: -675.352258
where:
bonds (distance) C4'-P energy: -130.525
bonds (distance) P-C4' energy: -137.678
flat angles C4'-P-C4' energy: -140.072
flat angles P-C4'-P energy: -112.928
tors. eta vs tors. theta energy: -154.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1637.732162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.732162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.732162 (E_RNA)
where:
Base-Base interactions energy: -1032.435
where: short stacking energy: -480.482
Base-Backbone interact. energy: -4.425
local terms energy: -600.871670
where:
bonds (distance) C4'-P energy: -130.770
bonds (distance) P-C4' energy: -139.175
flat angles C4'-P-C4' energy: -139.011
flat angles P-C4'-P energy: -79.280
tors. eta vs tors. theta energy: -112.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1643.864488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.864488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.864488 (E_RNA)
where:
Base-Base interactions energy: -1061.996
where: short stacking energy: -519.067
Base-Backbone interact. energy: -4.330
local terms energy: -577.539134
where:
bonds (distance) C4'-P energy: -119.456
bonds (distance) P-C4' energy: -117.248
flat angles C4'-P-C4' energy: -123.735
flat angles P-C4'-P energy: -76.790
tors. eta vs tors. theta energy: -140.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1588.752463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.752463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.752463 (E_RNA)
where:
Base-Base interactions energy: -1022.941
where: short stacking energy: -436.897
Base-Backbone interact. energy: -1.908
local terms energy: -563.903755
where:
bonds (distance) C4'-P energy: -131.565
bonds (distance) P-C4' energy: -118.702
flat angles C4'-P-C4' energy: -130.573
flat angles P-C4'-P energy: -72.084
tors. eta vs tors. theta energy: -110.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1060.969805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.969805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.969805 (E_RNA)
where:
Base-Base interactions energy: -602.404
where: short stacking energy: -328.793
Base-Backbone interact. energy: -5.180
local terms energy: -453.385871
where:
bonds (distance) C4'-P energy: -116.564
bonds (distance) P-C4' energy: -132.262
flat angles C4'-P-C4' energy: -115.698
flat angles P-C4'-P energy: -56.847
tors. eta vs tors. theta energy: -32.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -804.882371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.882371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.882371 (E_RNA)
where:
Base-Base interactions energy: -432.357
where: short stacking energy: -242.315
Base-Backbone interact. energy: 7.811
local terms energy: -380.336909
where:
bonds (distance) C4'-P energy: -127.950
bonds (distance) P-C4' energy: -107.112
flat angles C4'-P-C4' energy: -98.051
flat angles P-C4'-P energy: -52.941
tors. eta vs tors. theta energy: 5.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -675.265228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.265228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.265228 (E_RNA)
where:
Base-Base interactions energy: -292.693
where: short stacking energy: -192.608
Base-Backbone interact. energy: -3.303
local terms energy: -379.268618
where:
bonds (distance) C4'-P energy: -120.329
bonds (distance) P-C4' energy: -129.439
flat angles C4'-P-C4' energy: -92.305
flat angles P-C4'-P energy: -62.167
tors. eta vs tors. theta energy: 24.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2373.571736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.571736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.571736 (E_RNA)
where:
Base-Base interactions energy: -1631.239
where: short stacking energy: -707.557
Base-Backbone interact. energy: -3.946
local terms energy: -738.386522
where:
bonds (distance) C4'-P energy: -128.321
bonds (distance) P-C4' energy: -158.855
flat angles C4'-P-C4' energy: -159.136
flat angles P-C4'-P energy: -105.401
tors. eta vs tors. theta energy: -186.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2244.064933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.064933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.064933 (E_RNA)
where:
Base-Base interactions energy: -1509.742
where: short stacking energy: -692.388
Base-Backbone interact. energy: -0.494
local terms energy: -733.828530
where:
bonds (distance) C4'-P energy: -131.344
bonds (distance) P-C4' energy: -130.066
flat angles C4'-P-C4' energy: -161.204
flat angles P-C4'-P energy: -115.820
tors. eta vs tors. theta energy: -195.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2123.621331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.621331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.621331 (E_RNA)
where:
Base-Base interactions energy: -1428.293
where: short stacking energy: -662.324
Base-Backbone interact. energy: -3.647
local terms energy: -691.680773
where:
bonds (distance) C4'-P energy: -126.425
bonds (distance) P-C4' energy: -149.524
flat angles C4'-P-C4' energy: -145.757
flat angles P-C4'-P energy: -103.863
tors. eta vs tors. theta energy: -166.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1988.893921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.893921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.893921 (E_RNA)
where:
Base-Base interactions energy: -1310.872
where: short stacking energy: -577.128
Base-Backbone interact. energy: -1.033
local terms energy: -676.988626
where:
bonds (distance) C4'-P energy: -127.480
bonds (distance) P-C4' energy: -140.645
flat angles C4'-P-C4' energy: -153.672
flat angles P-C4'-P energy: -92.620
tors. eta vs tors. theta energy: -162.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1645.311069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.311069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.311069 (E_RNA)
where:
Base-Base interactions energy: -1059.166
where: short stacking energy: -506.803
Base-Backbone interact. energy: -0.277
local terms energy: -585.867709
where:
bonds (distance) C4'-P energy: -116.990
bonds (distance) P-C4' energy: -136.055
flat angles C4'-P-C4' energy: -120.975
flat angles P-C4'-P energy: -94.771
tors. eta vs tors. theta energy: -117.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1652.382346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.382346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.382346 (E_RNA)
where:
Base-Base interactions energy: -1052.623
where: short stacking energy: -512.439
Base-Backbone interact. energy: -0.296
local terms energy: -599.463982
where:
bonds (distance) C4'-P energy: -123.354
bonds (distance) P-C4' energy: -139.545
flat angles C4'-P-C4' energy: -139.834
flat angles P-C4'-P energy: -81.936
tors. eta vs tors. theta energy: -114.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1531.636834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.636834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.636834 (E_RNA)
where:
Base-Base interactions energy: -988.473
where: short stacking energy: -456.082
Base-Backbone interact. energy: 3.743
local terms energy: -546.906549
where:
bonds (distance) C4'-P energy: -123.336
bonds (distance) P-C4' energy: -123.714
flat angles C4'-P-C4' energy: -121.766
flat angles P-C4'-P energy: -81.175
tors. eta vs tors. theta energy: -96.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1052.979949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.979949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.979949 (E_RNA)
where:
Base-Base interactions energy: -580.254
where: short stacking energy: -290.411
Base-Backbone interact. energy: -2.256
local terms energy: -470.469475
where:
bonds (distance) C4'-P energy: -100.768
bonds (distance) P-C4' energy: -132.046
flat angles C4'-P-C4' energy: -137.618
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -29.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -878.315740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.315740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.315740 (E_RNA)
where:
Base-Base interactions energy: -464.448
where: short stacking energy: -245.867
Base-Backbone interact. energy: -2.820
local terms energy: -411.047291
where:
bonds (distance) C4'-P energy: -112.316
bonds (distance) P-C4' energy: -118.669
flat angles C4'-P-C4' energy: -95.855
flat angles P-C4'-P energy: -79.602
tors. eta vs tors. theta energy: -4.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -659.109222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.109222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.109222 (E_RNA)
where:
Base-Base interactions energy: -300.608
where: short stacking energy: -196.133
Base-Backbone interact. energy: 3.892
local terms energy: -362.393205
where:
bonds (distance) C4'-P energy: -107.902
bonds (distance) P-C4' energy: -107.952
flat angles C4'-P-C4' energy: -97.861
flat angles P-C4'-P energy: -63.211
tors. eta vs tors. theta energy: 14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2399.664804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.664804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.664804 (E_RNA)
where:
Base-Base interactions energy: -1630.048
where: short stacking energy: -723.522
Base-Backbone interact. energy: -1.651
local terms energy: -767.965486
where:
bonds (distance) C4'-P energy: -151.095
bonds (distance) P-C4' energy: -144.431
flat angles C4'-P-C4' energy: -176.784
flat angles P-C4'-P energy: -108.522
tors. eta vs tors. theta energy: -187.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2251.504613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.504613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.504613 (E_RNA)
where:
Base-Base interactions energy: -1517.289
where: short stacking energy: -669.557
Base-Backbone interact. energy: -1.880
local terms energy: -732.335721
where:
bonds (distance) C4'-P energy: -144.792
bonds (distance) P-C4' energy: -150.589
flat angles C4'-P-C4' energy: -148.143
flat angles P-C4'-P energy: -95.900
tors. eta vs tors. theta energy: -192.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2123.061399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.061399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.061399 (E_RNA)
where:
Base-Base interactions energy: -1415.080
where: short stacking energy: -648.337
Base-Backbone interact. energy: -2.138
local terms energy: -705.843277
where:
bonds (distance) C4'-P energy: -130.765
bonds (distance) P-C4' energy: -135.272
flat angles C4'-P-C4' energy: -149.913
flat angles P-C4'-P energy: -103.575
tors. eta vs tors. theta energy: -186.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -2070.679995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.679995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.679995 (E_RNA)
where:
Base-Base interactions energy: -1359.701
where: short stacking energy: -633.074
Base-Backbone interact. energy: -2.393
local terms energy: -708.586321
where:
bonds (distance) C4'-P energy: -143.749
bonds (distance) P-C4' energy: -144.267
flat angles C4'-P-C4' energy: -151.211
flat angles P-C4'-P energy: -95.074
tors. eta vs tors. theta energy: -174.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1709.326676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.326676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.326676 (E_RNA)
where:
Base-Base interactions energy: -1064.332
where: short stacking energy: -510.081
Base-Backbone interact. energy: -2.220
local terms energy: -642.774939
where:
bonds (distance) C4'-P energy: -137.814
bonds (distance) P-C4' energy: -145.953
flat angles C4'-P-C4' energy: -142.866
flat angles P-C4'-P energy: -95.008
tors. eta vs tors. theta energy: -121.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1543.739117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.739117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.739117 (E_RNA)
where:
Base-Base interactions energy: -968.243
where: short stacking energy: -438.126
Base-Backbone interact. energy: -0.517
local terms energy: -574.979250
where:
bonds (distance) C4'-P energy: -98.102
bonds (distance) P-C4' energy: -152.290
flat angles C4'-P-C4' energy: -141.694
flat angles P-C4'-P energy: -81.000
tors. eta vs tors. theta energy: -101.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1490.705488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.705488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.705488 (E_RNA)
where:
Base-Base interactions energy: -947.444
where: short stacking energy: -459.364
Base-Backbone interact. energy: 1.797
local terms energy: -545.058831
where:
bonds (distance) C4'-P energy: -132.123
bonds (distance) P-C4' energy: -127.948
flat angles C4'-P-C4' energy: -138.865
flat angles P-C4'-P energy: -54.965
tors. eta vs tors. theta energy: -91.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -986.565059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.565059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.565059 (E_RNA)
where:
Base-Base interactions energy: -540.298
where: short stacking energy: -275.647
Base-Backbone interact. energy: -0.567
local terms energy: -445.699249
where:
bonds (distance) C4'-P energy: -118.493
bonds (distance) P-C4' energy: -124.250
flat angles C4'-P-C4' energy: -114.658
flat angles P-C4'-P energy: -72.912
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -949.155321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.155321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.155321 (E_RNA)
where:
Base-Base interactions energy: -497.006
where: short stacking energy: -271.910
Base-Backbone interact. energy: 2.511
local terms energy: -454.659615
where:
bonds (distance) C4'-P energy: -114.739
bonds (distance) P-C4' energy: -118.441
flat angles C4'-P-C4' energy: -132.362
flat angles P-C4'-P energy: -67.986
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -781.440897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.440897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.440897 (E_RNA)
where:
Base-Base interactions energy: -426.842
where: short stacking energy: -242.108
Base-Backbone interact. energy: 4.180
local terms energy: -358.778729
where:
bonds (distance) C4'-P energy: -84.819
bonds (distance) P-C4' energy: -117.175
flat angles C4'-P-C4' energy: -95.938
flat angles P-C4'-P energy: -59.513
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2393.141685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.141685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.141685 (E_RNA)
where:
Base-Base interactions energy: -1639.658
where: short stacking energy: -693.436
Base-Backbone interact. energy: -1.063
local terms energy: -752.420964
where:
bonds (distance) C4'-P energy: -149.633
bonds (distance) P-C4' energy: -137.778
flat angles C4'-P-C4' energy: -168.123
flat angles P-C4'-P energy: -107.165
tors. eta vs tors. theta energy: -189.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2257.451497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.451497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.451497 (E_RNA)
where:
Base-Base interactions energy: -1526.239
where: short stacking energy: -682.518
Base-Backbone interact. energy: 0.248
local terms energy: -731.460527
where:
bonds (distance) C4'-P energy: -142.588
bonds (distance) P-C4' energy: -140.504
flat angles C4'-P-C4' energy: -158.508
flat angles P-C4'-P energy: -99.634
tors. eta vs tors. theta energy: -190.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2138.540891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.540891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.540891 (E_RNA)
where:
Base-Base interactions energy: -1410.804
where: short stacking energy: -625.196
Base-Backbone interact. energy: -4.764
local terms energy: -722.972614
where:
bonds (distance) C4'-P energy: -129.189
bonds (distance) P-C4' energy: -151.141
flat angles C4'-P-C4' energy: -140.830
flat angles P-C4'-P energy: -121.983
tors. eta vs tors. theta energy: -179.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2073.089163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.089163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.089163 (E_RNA)
where:
Base-Base interactions energy: -1393.784
where: short stacking energy: -615.549
Base-Backbone interact. energy: -3.657
local terms energy: -675.647883
where:
bonds (distance) C4'-P energy: -124.585
bonds (distance) P-C4' energy: -127.892
flat angles C4'-P-C4' energy: -170.200
flat angles P-C4'-P energy: -92.283
tors. eta vs tors. theta energy: -160.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1816.980098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.980098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.980098 (E_RNA)
where:
Base-Base interactions energy: -1194.666
where: short stacking energy: -554.503
Base-Backbone interact. energy: -0.286
local terms energy: -622.028789
where:
bonds (distance) C4'-P energy: -139.985
bonds (distance) P-C4' energy: -124.765
flat angles C4'-P-C4' energy: -139.011
flat angles P-C4'-P energy: -83.755
tors. eta vs tors. theta energy: -134.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1534.742850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.742850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.742850 (E_RNA)
where:
Base-Base interactions energy: -980.694
where: short stacking energy: -473.301
Base-Backbone interact. energy: 0.091
local terms energy: -554.139818
where:
bonds (distance) C4'-P energy: -129.844
bonds (distance) P-C4' energy: -112.289
flat angles C4'-P-C4' energy: -144.154
flat angles P-C4'-P energy: -72.371
tors. eta vs tors. theta energy: -95.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1452.056243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.056243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.056243 (E_RNA)
where:
Base-Base interactions energy: -930.847
where: short stacking energy: -430.499
Base-Backbone interact. energy: -4.538
local terms energy: -516.671343
where:
bonds (distance) C4'-P energy: -105.924
bonds (distance) P-C4' energy: -115.311
flat angles C4'-P-C4' energy: -126.635
flat angles P-C4'-P energy: -82.456
tors. eta vs tors. theta energy: -86.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -988.251787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.251787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.251787 (E_RNA)
where:
Base-Base interactions energy: -523.247
where: short stacking energy: -295.174
Base-Backbone interact. energy: -1.317
local terms energy: -463.687848
where:
bonds (distance) C4'-P energy: -124.796
bonds (distance) P-C4' energy: -126.049
flat angles C4'-P-C4' energy: -124.311
flat angles P-C4'-P energy: -54.309
tors. eta vs tors. theta energy: -34.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1002.571923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.571923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.571923 (E_RNA)
where:
Base-Base interactions energy: -552.734
where: short stacking energy: -276.673
Base-Backbone interact. energy: -0.857
local terms energy: -448.980270
where:
bonds (distance) C4'-P energy: -115.842
bonds (distance) P-C4' energy: -126.157
flat angles C4'-P-C4' energy: -122.633
flat angles P-C4'-P energy: -52.035
tors. eta vs tors. theta energy: -32.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -823.932036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.932036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.932036 (E_RNA)
where:
Base-Base interactions energy: -438.248
where: short stacking energy: -226.238
Base-Backbone interact. energy: -3.233
local terms energy: -382.451117
where:
bonds (distance) C4'-P energy: -83.046
bonds (distance) P-C4' energy: -112.660
flat angles C4'-P-C4' energy: -105.353
flat angles P-C4'-P energy: -71.675
tors. eta vs tors. theta energy: -9.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2376.510671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.510671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.510671 (E_RNA)
where:
Base-Base interactions energy: -1643.327
where: short stacking energy: -692.101
Base-Backbone interact. energy: -0.935
local terms energy: -732.249138
where:
bonds (distance) C4'-P energy: -145.106
bonds (distance) P-C4' energy: -141.731
flat angles C4'-P-C4' energy: -168.535
flat angles P-C4'-P energy: -97.220
tors. eta vs tors. theta energy: -179.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2255.251981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.251981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.251981 (E_RNA)
where:
Base-Base interactions energy: -1529.117
where: short stacking energy: -687.031
Base-Backbone interact. energy: -2.906
local terms energy: -723.228917
where:
bonds (distance) C4'-P energy: -131.382
bonds (distance) P-C4' energy: -151.454
flat angles C4'-P-C4' energy: -153.650
flat angles P-C4'-P energy: -98.007
tors. eta vs tors. theta energy: -188.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2126.252725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.252725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.252725 (E_RNA)
where:
Base-Base interactions energy: -1397.658
where: short stacking energy: -654.935
Base-Backbone interact. energy: -2.027
local terms energy: -726.567111
where:
bonds (distance) C4'-P energy: -135.063
bonds (distance) P-C4' energy: -139.794
flat angles C4'-P-C4' energy: -164.838
flat angles P-C4'-P energy: -99.968
tors. eta vs tors. theta energy: -186.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2016.522365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.522365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.522365 (E_RNA)
where:
Base-Base interactions energy: -1358.015
where: short stacking energy: -601.690
Base-Backbone interact. energy: -1.640
local terms energy: -656.866394
where:
bonds (distance) C4'-P energy: -139.562
bonds (distance) P-C4' energy: -129.440
flat angles C4'-P-C4' energy: -141.238
flat angles P-C4'-P energy: -95.107
tors. eta vs tors. theta energy: -151.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1820.809426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.809426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.809426 (E_RNA)
where:
Base-Base interactions energy: -1193.785
where: short stacking energy: -524.667
Base-Backbone interact. energy: -0.872
local terms energy: -626.152996
where:
bonds (distance) C4'-P energy: -124.496
bonds (distance) P-C4' energy: -141.008
flat angles C4'-P-C4' energy: -146.491
flat angles P-C4'-P energy: -90.365
tors. eta vs tors. theta energy: -123.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1460.812131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.812131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.812131 (E_RNA)
where:
Base-Base interactions energy: -897.643
where: short stacking energy: -443.343
Base-Backbone interact. energy: -1.021
local terms energy: -562.148292
where:
bonds (distance) C4'-P energy: -129.493
bonds (distance) P-C4' energy: -126.239
flat angles C4'-P-C4' energy: -130.834
flat angles P-C4'-P energy: -83.428
tors. eta vs tors. theta energy: -92.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1435.095550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.095550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.095550 (E_RNA)
where:
Base-Base interactions energy: -880.757
where: short stacking energy: -387.899
Base-Backbone interact. energy: -2.173
local terms energy: -552.165320
where:
bonds (distance) C4'-P energy: -138.868
bonds (distance) P-C4' energy: -120.647
flat angles C4'-P-C4' energy: -133.247
flat angles P-C4'-P energy: -85.036
tors. eta vs tors. theta energy: -74.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1053.489525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.489525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.489525 (E_RNA)
where:
Base-Base interactions energy: -573.827
where: short stacking energy: -316.831
Base-Backbone interact. energy: -0.739
local terms energy: -478.923690
where:
bonds (distance) C4'-P energy: -123.065
bonds (distance) P-C4' energy: -120.714
flat angles C4'-P-C4' energy: -135.032
flat angles P-C4'-P energy: -73.381
tors. eta vs tors. theta energy: -26.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1000.679783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.679783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.679783 (E_RNA)
where:
Base-Base interactions energy: -559.457
where: short stacking energy: -279.682
Base-Backbone interact. energy: 5.646
local terms energy: -446.869151
where:
bonds (distance) C4'-P energy: -122.915
bonds (distance) P-C4' energy: -111.840
flat angles C4'-P-C4' energy: -112.815
flat angles P-C4'-P energy: -69.342
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -763.252553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.252553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.252553 (E_RNA)
where:
Base-Base interactions energy: -374.023
where: short stacking energy: -217.265
Base-Backbone interact. energy: -4.797
local terms energy: -384.432440
where:
bonds (distance) C4'-P energy: -112.487
bonds (distance) P-C4' energy: -127.765
flat angles C4'-P-C4' energy: -88.226
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2386.612041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.612041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.612041 (E_RNA)
where:
Base-Base interactions energy: -1629.898
where: short stacking energy: -681.881
Base-Backbone interact. energy: -3.791
local terms energy: -752.922690
where:
bonds (distance) C4'-P energy: -150.401
bonds (distance) P-C4' energy: -148.612
flat angles C4'-P-C4' energy: -168.845
flat angles P-C4'-P energy: -98.135
tors. eta vs tors. theta energy: -186.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2229.785559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.785559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.785559 (E_RNA)
where:
Base-Base interactions energy: -1491.414
where: short stacking energy: -642.011
Base-Backbone interact. energy: -3.651
local terms energy: -734.721043
where:
bonds (distance) C4'-P energy: -148.864
bonds (distance) P-C4' energy: -140.194
flat angles C4'-P-C4' energy: -149.166
flat angles P-C4'-P energy: -112.522
tors. eta vs tors. theta energy: -183.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2176.683293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.683293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.683293 (E_RNA)
where:
Base-Base interactions energy: -1458.490
where: short stacking energy: -613.913
Base-Backbone interact. energy: -2.175
local terms energy: -716.018291
where:
bonds (distance) C4'-P energy: -134.261
bonds (distance) P-C4' energy: -153.057
flat angles C4'-P-C4' energy: -158.617
flat angles P-C4'-P energy: -99.191
tors. eta vs tors. theta energy: -170.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -2035.301947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.301947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.301947 (E_RNA)
where:
Base-Base interactions energy: -1344.752
where: short stacking energy: -593.405
Base-Backbone interact. energy: -0.887
local terms energy: -689.663293
where:
bonds (distance) C4'-P energy: -121.700
bonds (distance) P-C4' energy: -147.188
flat angles C4'-P-C4' energy: -149.265
flat angles P-C4'-P energy: -103.356
tors. eta vs tors. theta energy: -168.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1865.296668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.296668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.296668 (E_RNA)
where:
Base-Base interactions energy: -1234.637
where: short stacking energy: -535.626
Base-Backbone interact. energy: -2.353
local terms energy: -628.307097
where:
bonds (distance) C4'-P energy: -123.128
bonds (distance) P-C4' energy: -138.188
flat angles C4'-P-C4' energy: -147.347
flat angles P-C4'-P energy: -93.330
tors. eta vs tors. theta energy: -126.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1508.044702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.044702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.044702 (E_RNA)
where:
Base-Base interactions energy: -977.196
where: short stacking energy: -446.206
Base-Backbone interact. energy: 4.505
local terms energy: -535.353726
where:
bonds (distance) C4'-P energy: -111.125
bonds (distance) P-C4' energy: -143.522
flat angles C4'-P-C4' energy: -106.749
flat angles P-C4'-P energy: -75.953
tors. eta vs tors. theta energy: -98.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1406.431214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.431214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.431214 (E_RNA)
where:
Base-Base interactions energy: -851.543
where: short stacking energy: -394.574
Base-Backbone interact. energy: 0.782
local terms energy: -555.669710
where:
bonds (distance) C4'-P energy: -117.226
bonds (distance) P-C4' energy: -125.266
flat angles C4'-P-C4' energy: -143.509
flat angles P-C4'-P energy: -97.668
tors. eta vs tors. theta energy: -72.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1218.384449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.384449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.384449 (E_RNA)
where:
Base-Base interactions energy: -748.112
where: short stacking energy: -364.913
Base-Backbone interact. energy: 6.742
local terms energy: -477.014550
where:
bonds (distance) C4'-P energy: -104.292
bonds (distance) P-C4' energy: -132.207
flat angles C4'-P-C4' energy: -111.826
flat angles P-C4'-P energy: -69.650
tors. eta vs tors. theta energy: -59.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -883.238206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.238206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.238206 (E_RNA)
where:
Base-Base interactions energy: -447.889
where: short stacking energy: -228.786
Base-Backbone interact. energy: -1.291
local terms energy: -434.058768
where:
bonds (distance) C4'-P energy: -113.801
bonds (distance) P-C4' energy: -138.880
flat angles C4'-P-C4' energy: -115.480
flat angles P-C4'-P energy: -54.191
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -855.674953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.674953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.674953 (E_RNA)
where:
Base-Base interactions energy: -432.944
where: short stacking energy: -210.282
Base-Backbone interact. energy: 3.013
local terms energy: -425.743813
where:
bonds (distance) C4'-P energy: -110.156
bonds (distance) P-C4' energy: -141.230
flat angles C4'-P-C4' energy: -104.531
flat angles P-C4'-P energy: -75.256
tors. eta vs tors. theta energy: 5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2385.202730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.202730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.202730 (E_RNA)
where:
Base-Base interactions energy: -1645.785
where: short stacking energy: -665.137
Base-Backbone interact. energy: -1.088
local terms energy: -738.329403
where:
bonds (distance) C4'-P energy: -147.344
bonds (distance) P-C4' energy: -150.357
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -100.681
tors. eta vs tors. theta energy: -181.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2235.078721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.078721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.078721 (E_RNA)
where:
Base-Base interactions energy: -1489.469
where: short stacking energy: -641.648
Base-Backbone interact. energy: -1.183
local terms energy: -744.426943
where:
bonds (distance) C4'-P energy: -157.254
bonds (distance) P-C4' energy: -129.003
flat angles C4'-P-C4' energy: -168.263
flat angles P-C4'-P energy: -107.748
tors. eta vs tors. theta energy: -182.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2180.457525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.457525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.457525 (E_RNA)
where:
Base-Base interactions energy: -1501.099
where: short stacking energy: -676.968
Base-Backbone interact. energy: -0.654
local terms energy: -678.704364
where:
bonds (distance) C4'-P energy: -113.488
bonds (distance) P-C4' energy: -127.346
flat angles C4'-P-C4' energy: -160.109
flat angles P-C4'-P energy: -100.741
tors. eta vs tors. theta energy: -177.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2023.564499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.564499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.564499 (E_RNA)
where:
Base-Base interactions energy: -1344.422
where: short stacking energy: -604.916
Base-Backbone interact. energy: -1.850
local terms energy: -677.292719
where:
bonds (distance) C4'-P energy: -135.360
bonds (distance) P-C4' energy: -150.569
flat angles C4'-P-C4' energy: -140.698
flat angles P-C4'-P energy: -91.519
tors. eta vs tors. theta energy: -159.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1871.164037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.164037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.164037 (E_RNA)
where:
Base-Base interactions energy: -1234.785
where: short stacking energy: -573.084
Base-Backbone interact. energy: -3.725
local terms energy: -632.654120
where:
bonds (distance) C4'-P energy: -114.633
bonds (distance) P-C4' energy: -146.771
flat angles C4'-P-C4' energy: -123.808
flat angles P-C4'-P energy: -83.467
tors. eta vs tors. theta energy: -163.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1539.696610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.696610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.696610 (E_RNA)
where:
Base-Base interactions energy: -953.376
where: short stacking energy: -448.090
Base-Backbone interact. energy: 3.220
local terms energy: -589.540637
where:
bonds (distance) C4'-P energy: -131.091
bonds (distance) P-C4' energy: -135.624
flat angles C4'-P-C4' energy: -131.339
flat angles P-C4'-P energy: -88.596
tors. eta vs tors. theta energy: -102.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1497.176013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.176013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.176013 (E_RNA)
where:
Base-Base interactions energy: -965.249
where: short stacking energy: -447.618
Base-Backbone interact. energy: 5.802
local terms energy: -537.728672
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -124.941
flat angles C4'-P-C4' energy: -132.103
flat angles P-C4'-P energy: -67.715
tors. eta vs tors. theta energy: -87.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1176.895103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.895103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.895103 (E_RNA)
where:
Base-Base interactions energy: -692.916
where: short stacking energy: -343.980
Base-Backbone interact. energy: 0.718
local terms energy: -484.696921
where:
bonds (distance) C4'-P energy: -120.518
bonds (distance) P-C4' energy: -118.396
flat angles C4'-P-C4' energy: -108.254
flat angles P-C4'-P energy: -85.516
tors. eta vs tors. theta energy: -52.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -848.313337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.313337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.313337 (E_RNA)
where:
Base-Base interactions energy: -425.850
where: short stacking energy: -235.294
Base-Backbone interact. energy: 0.321
local terms energy: -422.783797
where:
bonds (distance) C4'-P energy: -124.731
bonds (distance) P-C4' energy: -121.261
flat angles C4'-P-C4' energy: -117.113
flat angles P-C4'-P energy: -61.172
tors. eta vs tors. theta energy: 1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -805.871500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.871500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.871500 (E_RNA)
where:
Base-Base interactions energy: -398.640
where: short stacking energy: -249.935
Base-Backbone interact. energy: 3.183
local terms energy: -410.414492
where:
bonds (distance) C4'-P energy: -105.575
bonds (distance) P-C4' energy: -129.581
flat angles C4'-P-C4' energy: -114.487
flat angles P-C4'-P energy: -49.129
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2386.725396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.725396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.725396 (E_RNA)
where:
Base-Base interactions energy: -1645.044
where: short stacking energy: -676.592
Base-Backbone interact. energy: 2.734
local terms energy: -744.415839
where:
bonds (distance) C4'-P energy: -139.620
bonds (distance) P-C4' energy: -153.163
flat angles C4'-P-C4' energy: -162.468
flat angles P-C4'-P energy: -115.462
tors. eta vs tors. theta energy: -173.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2252.545212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.545212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.545212 (E_RNA)
where:
Base-Base interactions energy: -1509.033
where: short stacking energy: -649.194
Base-Backbone interact. energy: -1.562
local terms energy: -741.949650
where:
bonds (distance) C4'-P energy: -142.704
bonds (distance) P-C4' energy: -141.362
flat angles C4'-P-C4' energy: -156.554
flat angles P-C4'-P energy: -110.522
tors. eta vs tors. theta energy: -190.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2151.905121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.905121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.905121 (E_RNA)
where:
Base-Base interactions energy: -1479.009
where: short stacking energy: -652.239
Base-Backbone interact. energy: -3.638
local terms energy: -669.258563
where:
bonds (distance) C4'-P energy: -134.190
bonds (distance) P-C4' energy: -124.336
flat angles C4'-P-C4' energy: -146.257
flat angles P-C4'-P energy: -88.029
tors. eta vs tors. theta energy: -176.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2114.895647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.895647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.895647 (E_RNA)
where:
Base-Base interactions energy: -1403.457
where: short stacking energy: -633.255
Base-Backbone interact. energy: -1.395
local terms energy: -710.043348
where:
bonds (distance) C4'-P energy: -144.287
bonds (distance) P-C4' energy: -130.589
flat angles C4'-P-C4' energy: -160.158
flat angles P-C4'-P energy: -97.472
tors. eta vs tors. theta energy: -177.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1959.917219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.917219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.917219 (E_RNA)
where:
Base-Base interactions energy: -1286.786
where: short stacking energy: -547.680
Base-Backbone interact. energy: -1.582
local terms energy: -671.548933
where:
bonds (distance) C4'-P energy: -127.676
bonds (distance) P-C4' energy: -141.812
flat angles C4'-P-C4' energy: -151.260
flat angles P-C4'-P energy: -81.491
tors. eta vs tors. theta energy: -169.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1567.741347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.741347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.741347 (E_RNA)
where:
Base-Base interactions energy: -975.965
where: short stacking energy: -470.036
Base-Backbone interact. energy: -2.556
local terms energy: -589.220569
where:
bonds (distance) C4'-P energy: -113.198
bonds (distance) P-C4' energy: -120.656
flat angles C4'-P-C4' energy: -142.929
flat angles P-C4'-P energy: -109.677
tors. eta vs tors. theta energy: -102.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1498.223379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.223379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.223379 (E_RNA)
where:
Base-Base interactions energy: -934.097
where: short stacking energy: -458.989
Base-Backbone interact. energy: -0.059
local terms energy: -564.066942
where:
bonds (distance) C4'-P energy: -125.389
bonds (distance) P-C4' energy: -122.016
flat angles C4'-P-C4' energy: -128.401
flat angles P-C4'-P energy: -90.140
tors. eta vs tors. theta energy: -98.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1161.883430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.883430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.883430 (E_RNA)
where:
Base-Base interactions energy: -717.863
where: short stacking energy: -366.852
Base-Backbone interact. energy: -2.843
local terms energy: -441.177704
where:
bonds (distance) C4'-P energy: -125.531
bonds (distance) P-C4' energy: -116.760
flat angles C4'-P-C4' energy: -96.807
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -880.380908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.380908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.380908 (E_RNA)
where:
Base-Base interactions energy: -501.801
where: short stacking energy: -254.314
Base-Backbone interact. energy: -0.600
local terms energy: -377.979850
where:
bonds (distance) C4'-P energy: -117.403
bonds (distance) P-C4' energy: -125.367
flat angles C4'-P-C4' energy: -73.730
flat angles P-C4'-P energy: -53.949
tors. eta vs tors. theta energy: -7.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -692.997458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.997458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.997458 (E_RNA)
where:
Base-Base interactions energy: -347.085
where: short stacking energy: -212.964
Base-Backbone interact. energy: 1.385
local terms energy: -347.297391
where:
bonds (distance) C4'-P energy: -105.516
bonds (distance) P-C4' energy: -91.797
flat angles C4'-P-C4' energy: -104.829
flat angles P-C4'-P energy: -69.829
tors. eta vs tors. theta energy: 24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2413.292850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.292850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.292850 (E_RNA)
where:
Base-Base interactions energy: -1672.196
where: short stacking energy: -705.171
Base-Backbone interact. energy: -3.583
local terms energy: -737.513936
where:
bonds (distance) C4'-P energy: -152.776
bonds (distance) P-C4' energy: -138.340
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -101.508
tors. eta vs tors. theta energy: -186.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2228.034638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.034638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.034638 (E_RNA)
where:
Base-Base interactions energy: -1507.649
where: short stacking energy: -691.311
Base-Backbone interact. energy: -6.201
local terms energy: -714.185274
where:
bonds (distance) C4'-P energy: -147.362
bonds (distance) P-C4' energy: -129.563
flat angles C4'-P-C4' energy: -157.026
flat angles P-C4'-P energy: -92.205
tors. eta vs tors. theta energy: -188.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2198.626878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.626878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.626878 (E_RNA)
where:
Base-Base interactions energy: -1459.092
where: short stacking energy: -675.575
Base-Backbone interact. energy: -1.889
local terms energy: -737.645763
where:
bonds (distance) C4'-P energy: -135.581
bonds (distance) P-C4' energy: -145.407
flat angles C4'-P-C4' energy: -163.662
flat angles P-C4'-P energy: -110.215
tors. eta vs tors. theta energy: -182.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2168.842729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.842729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.842729 (E_RNA)
where:
Base-Base interactions energy: -1468.352
where: short stacking energy: -642.040
Base-Backbone interact. energy: 0.533
local terms energy: -701.023210
where:
bonds (distance) C4'-P energy: -116.160
bonds (distance) P-C4' energy: -138.057
flat angles C4'-P-C4' energy: -155.225
flat angles P-C4'-P energy: -108.796
tors. eta vs tors. theta energy: -182.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1948.902873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.902873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.902873 (E_RNA)
where:
Base-Base interactions energy: -1306.949
where: short stacking energy: -561.384
Base-Backbone interact. energy: 1.088
local terms energy: -643.041548
where:
bonds (distance) C4'-P energy: -128.604
bonds (distance) P-C4' energy: -112.168
flat angles C4'-P-C4' energy: -153.113
flat angles P-C4'-P energy: -87.699
tors. eta vs tors. theta energy: -161.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1552.323376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.323376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.323376 (E_RNA)
where:
Base-Base interactions energy: -968.248
where: short stacking energy: -451.366
Base-Backbone interact. energy: -0.008
local terms energy: -584.067019
where:
bonds (distance) C4'-P energy: -127.188
bonds (distance) P-C4' energy: -159.060
flat angles C4'-P-C4' energy: -129.351
flat angles P-C4'-P energy: -76.994
tors. eta vs tors. theta energy: -91.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1570.768102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.768102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.768102 (E_RNA)
where:
Base-Base interactions energy: -996.756
where: short stacking energy: -470.875
Base-Backbone interact. energy: -1.859
local terms energy: -572.153341
where:
bonds (distance) C4'-P energy: -120.771
bonds (distance) P-C4' energy: -132.311
flat angles C4'-P-C4' energy: -135.223
flat angles P-C4'-P energy: -80.057
tors. eta vs tors. theta energy: -103.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1184.002483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.002483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.002483 (E_RNA)
where:
Base-Base interactions energy: -716.211
where: short stacking energy: -342.122
Base-Backbone interact. energy: -1.551
local terms energy: -466.239898
where:
bonds (distance) C4'-P energy: -103.080
bonds (distance) P-C4' energy: -127.229
flat angles C4'-P-C4' energy: -109.910
flat angles P-C4'-P energy: -76.984
tors. eta vs tors. theta energy: -49.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -924.268320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.268320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.268320 (E_RNA)
where:
Base-Base interactions energy: -510.004
where: short stacking energy: -251.549
Base-Backbone interact. energy: 4.478
local terms energy: -418.742800
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -128.992
flat angles C4'-P-C4' energy: -113.612
flat angles P-C4'-P energy: -63.812
tors. eta vs tors. theta energy: -10.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -710.010227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.010227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.010227 (E_RNA)
where:
Base-Base interactions energy: -333.094
where: short stacking energy: -212.404
Base-Backbone interact. energy: -0.822
local terms energy: -376.094071
where:
bonds (distance) C4'-P energy: -114.745
bonds (distance) P-C4' energy: -124.632
flat angles C4'-P-C4' energy: -83.576
flat angles P-C4'-P energy: -58.756
tors. eta vs tors. theta energy: 5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2419.760402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.760402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.760402 (E_RNA)
where:
Base-Base interactions energy: -1677.404
where: short stacking energy: -699.128
Base-Backbone interact. energy: -2.448
local terms energy: -739.908424
where:
bonds (distance) C4'-P energy: -137.221
bonds (distance) P-C4' energy: -149.190
flat angles C4'-P-C4' energy: -159.209
flat angles P-C4'-P energy: -109.891
tors. eta vs tors. theta energy: -184.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2236.114259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.114259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.114259 (E_RNA)
where:
Base-Base interactions energy: -1485.834
where: short stacking energy: -716.850
Base-Backbone interact. energy: -3.224
local terms energy: -747.056018
where:
bonds (distance) C4'-P energy: -146.594
bonds (distance) P-C4' energy: -134.255
flat angles C4'-P-C4' energy: -163.852
flat angles P-C4'-P energy: -91.345
tors. eta vs tors. theta energy: -211.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2161.797598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.797598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.797598 (E_RNA)
where:
Base-Base interactions energy: -1464.147
where: short stacking energy: -627.395
Base-Backbone interact. energy: 13.519
local terms energy: -711.169818
where:
bonds (distance) C4'-P energy: -143.314
bonds (distance) P-C4' energy: -142.471
flat angles C4'-P-C4' energy: -147.625
flat angles P-C4'-P energy: -101.510
tors. eta vs tors. theta energy: -176.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2147.108608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.108608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.108608 (E_RNA)
where:
Base-Base interactions energy: -1446.932
where: short stacking energy: -627.206
Base-Backbone interact. energy: -3.650
local terms energy: -696.526805
where:
bonds (distance) C4'-P energy: -132.776
bonds (distance) P-C4' energy: -135.031
flat angles C4'-P-C4' energy: -159.534
flat angles P-C4'-P energy: -103.430
tors. eta vs tors. theta energy: -165.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1861.477807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.477807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.477807 (E_RNA)
where:
Base-Base interactions energy: -1238.073
where: short stacking energy: -540.308
Base-Backbone interact. energy: -3.444
local terms energy: -619.961139
where:
bonds (distance) C4'-P energy: -132.518
bonds (distance) P-C4' energy: -130.551
flat angles C4'-P-C4' energy: -139.144
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -136.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1508.039475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.039475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.039475 (E_RNA)
where:
Base-Base interactions energy: -925.855
where: short stacking energy: -456.123
Base-Backbone interact. energy: 1.744
local terms energy: -583.928514
where:
bonds (distance) C4'-P energy: -122.813
bonds (distance) P-C4' energy: -139.899
flat angles C4'-P-C4' energy: -123.675
flat angles P-C4'-P energy: -79.847
tors. eta vs tors. theta energy: -117.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1511.369986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.369986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.369986 (E_RNA)
where:
Base-Base interactions energy: -945.463
where: short stacking energy: -442.271
Base-Backbone interact. energy: -2.120
local terms energy: -563.786702
where:
bonds (distance) C4'-P energy: -131.215
bonds (distance) P-C4' energy: -113.423
flat angles C4'-P-C4' energy: -132.757
flat angles P-C4'-P energy: -86.230
tors. eta vs tors. theta energy: -100.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1151.159625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.159625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.159625 (E_RNA)
where:
Base-Base interactions energy: -654.228
where: short stacking energy: -321.974
Base-Backbone interact. energy: -2.157
local terms energy: -494.774484
where:
bonds (distance) C4'-P energy: -127.756
bonds (distance) P-C4' energy: -126.613
flat angles C4'-P-C4' energy: -125.298
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -36.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -932.753192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.753192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.753192 (E_RNA)
where:
Base-Base interactions energy: -465.510
where: short stacking energy: -239.199
Base-Backbone interact. energy: -1.310
local terms energy: -465.933036
where:
bonds (distance) C4'-P energy: -136.166
bonds (distance) P-C4' energy: -121.888
flat angles C4'-P-C4' energy: -116.965
flat angles P-C4'-P energy: -67.120
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -758.326689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.326689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.326689 (E_RNA)
where:
Base-Base interactions energy: -372.359
where: short stacking energy: -207.809
Base-Backbone interact. energy: 4.056
local terms energy: -390.023956
where:
bonds (distance) C4'-P energy: -121.525
bonds (distance) P-C4' energy: -137.703
flat angles C4'-P-C4' energy: -97.098
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: 14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2381.373192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.373192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.373192 (E_RNA)
where:
Base-Base interactions energy: -1642.195
where: short stacking energy: -683.014
Base-Backbone interact. energy: -4.263
local terms energy: -734.914819
where:
bonds (distance) C4'-P energy: -138.378
bonds (distance) P-C4' energy: -131.490
flat angles C4'-P-C4' energy: -171.064
flat angles P-C4'-P energy: -125.815
tors. eta vs tors. theta energy: -168.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2242.717057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.717057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.717057 (E_RNA)
where:
Base-Base interactions energy: -1494.692
where: short stacking energy: -689.636
Base-Backbone interact. energy: -2.867
local terms energy: -745.157895
where:
bonds (distance) C4'-P energy: -143.397
bonds (distance) P-C4' energy: -149.904
flat angles C4'-P-C4' energy: -158.399
flat angles P-C4'-P energy: -97.987
tors. eta vs tors. theta energy: -195.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2208.598171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.598171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.598171 (E_RNA)
where:
Base-Base interactions energy: -1499.896
where: short stacking energy: -636.212
Base-Backbone interact. energy: 0.258
local terms energy: -708.960868
where:
bonds (distance) C4'-P energy: -123.420
bonds (distance) P-C4' energy: -148.446
flat angles C4'-P-C4' energy: -155.460
flat angles P-C4'-P energy: -107.610
tors. eta vs tors. theta energy: -174.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2091.394208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.394208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.394208 (E_RNA)
where:
Base-Base interactions energy: -1432.687
where: short stacking energy: -614.382
Base-Backbone interact. energy: -3.829
local terms energy: -654.878809
where:
bonds (distance) C4'-P energy: -136.343
bonds (distance) P-C4' energy: -139.130
flat angles C4'-P-C4' energy: -148.634
flat angles P-C4'-P energy: -73.611
tors. eta vs tors. theta energy: -157.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1792.034642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.034642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.034642 (E_RNA)
where:
Base-Base interactions energy: -1197.599
where: short stacking energy: -528.311
Base-Backbone interact. energy: -3.372
local terms energy: -591.064055
where:
bonds (distance) C4'-P energy: -112.777
bonds (distance) P-C4' energy: -129.302
flat angles C4'-P-C4' energy: -127.815
flat angles P-C4'-P energy: -96.142
tors. eta vs tors. theta energy: -125.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1515.757391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.757391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.757391 (E_RNA)
where:
Base-Base interactions energy: -932.548
where: short stacking energy: -436.234
Base-Backbone interact. energy: 0.166
local terms energy: -583.376252
where:
bonds (distance) C4'-P energy: -118.265
bonds (distance) P-C4' energy: -146.190
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -96.401
tors. eta vs tors. theta energy: -91.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1462.473264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.473264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.473264 (E_RNA)
where:
Base-Base interactions energy: -921.834
where: short stacking energy: -449.039
Base-Backbone interact. energy: 0.590
local terms energy: -541.229722
where:
bonds (distance) C4'-P energy: -130.394
bonds (distance) P-C4' energy: -127.232
flat angles C4'-P-C4' energy: -136.221
flat angles P-C4'-P energy: -67.595
tors. eta vs tors. theta energy: -79.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1173.400773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.400773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.400773 (E_RNA)
where:
Base-Base interactions energy: -665.586
where: short stacking energy: -331.553
Base-Backbone interact. energy: 2.017
local terms energy: -509.831862
where:
bonds (distance) C4'-P energy: -129.762
bonds (distance) P-C4' energy: -119.534
flat angles C4'-P-C4' energy: -139.682
flat angles P-C4'-P energy: -79.527
tors. eta vs tors. theta energy: -41.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -858.231680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.231680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.231680 (E_RNA)
where:
Base-Base interactions energy: -455.011
where: short stacking energy: -249.021
Base-Backbone interact. energy: 0.158
local terms energy: -403.378112
where:
bonds (distance) C4'-P energy: -107.540
bonds (distance) P-C4' energy: -123.916
flat angles C4'-P-C4' energy: -107.762
flat angles P-C4'-P energy: -59.434
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -752.702819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.702819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.702819 (E_RNA)
where:
Base-Base interactions energy: -393.835
where: short stacking energy: -203.989
Base-Backbone interact. energy: 8.851
local terms energy: -367.719294
where:
bonds (distance) C4'-P energy: -107.282
bonds (distance) P-C4' energy: -125.208
flat angles C4'-P-C4' energy: -94.372
flat angles P-C4'-P energy: -65.489
tors. eta vs tors. theta energy: 24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2380.424395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.424395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.424395 (E_RNA)
where:
Base-Base interactions energy: -1622.761
where: short stacking energy: -676.247
Base-Backbone interact. energy: -8.024
local terms energy: -749.638754
where:
bonds (distance) C4'-P energy: -163.205
bonds (distance) P-C4' energy: -144.831
flat angles C4'-P-C4' energy: -152.111
flat angles P-C4'-P energy: -104.839
tors. eta vs tors. theta energy: -184.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2294.650030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.650030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.650030 (E_RNA)
where:
Base-Base interactions energy: -1569.043
where: short stacking energy: -684.618
Base-Backbone interact. energy: -0.229
local terms energy: -725.377595
where:
bonds (distance) C4'-P energy: -144.708
bonds (distance) P-C4' energy: -127.241
flat angles C4'-P-C4' energy: -161.081
flat angles P-C4'-P energy: -102.855
tors. eta vs tors. theta energy: -189.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2157.734881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.734881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.734881 (E_RNA)
where:
Base-Base interactions energy: -1445.850
where: short stacking energy: -671.701
Base-Backbone interact. energy: -2.551
local terms energy: -709.333475
where:
bonds (distance) C4'-P energy: -120.442
bonds (distance) P-C4' energy: -142.847
flat angles C4'-P-C4' energy: -157.074
flat angles P-C4'-P energy: -107.734
tors. eta vs tors. theta energy: -181.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2014.025850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.025850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.025850 (E_RNA)
where:
Base-Base interactions energy: -1362.259
where: short stacking energy: -614.235
Base-Backbone interact. energy: -2.043
local terms energy: -649.723022
where:
bonds (distance) C4'-P energy: -135.438
bonds (distance) P-C4' energy: -120.791
flat angles C4'-P-C4' energy: -149.150
flat angles P-C4'-P energy: -85.133
tors. eta vs tors. theta energy: -159.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1830.127431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.127431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.127431 (E_RNA)
where:
Base-Base interactions energy: -1196.301
where: short stacking energy: -536.946
Base-Backbone interact. energy: 0.457
local terms energy: -634.284136
where:
bonds (distance) C4'-P energy: -145.747
bonds (distance) P-C4' energy: -118.640
flat angles C4'-P-C4' energy: -141.677
flat angles P-C4'-P energy: -86.771
tors. eta vs tors. theta energy: -141.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1615.697903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.697903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.697903 (E_RNA)
where:
Base-Base interactions energy: -1033.635
where: short stacking energy: -476.625
Base-Backbone interact. energy: -2.542
local terms energy: -579.520608
where:
bonds (distance) C4'-P energy: -123.265
bonds (distance) P-C4' energy: -111.262
flat angles C4'-P-C4' energy: -137.238
flat angles P-C4'-P energy: -97.595
tors. eta vs tors. theta energy: -110.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1462.731858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.731858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.731858 (E_RNA)
where:
Base-Base interactions energy: -906.339
where: short stacking energy: -415.543
Base-Backbone interact. energy: -1.048
local terms energy: -555.344775
where:
bonds (distance) C4'-P energy: -119.938
bonds (distance) P-C4' energy: -135.041
flat angles C4'-P-C4' energy: -125.596
flat angles P-C4'-P energy: -81.669
tors. eta vs tors. theta energy: -93.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1204.552470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.552470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.552470 (E_RNA)
where:
Base-Base interactions energy: -723.314
where: short stacking energy: -374.360
Base-Backbone interact. energy: -2.046
local terms energy: -479.192467
where:
bonds (distance) C4'-P energy: -104.868
bonds (distance) P-C4' energy: -142.721
flat angles C4'-P-C4' energy: -123.959
flat angles P-C4'-P energy: -54.477
tors. eta vs tors. theta energy: -53.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -876.554994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.554994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.554994 (E_RNA)
where:
Base-Base interactions energy: -440.101
where: short stacking energy: -246.817
Base-Backbone interact. energy: -3.043
local terms energy: -433.411098
where:
bonds (distance) C4'-P energy: -111.554
bonds (distance) P-C4' energy: -129.190
flat angles C4'-P-C4' energy: -106.082
flat angles P-C4'-P energy: -61.772
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -738.515217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.515217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.515217 (E_RNA)
where:
Base-Base interactions energy: -354.943
where: short stacking energy: -178.336
Base-Backbone interact. energy: 5.645
local terms energy: -389.217213
where:
bonds (distance) C4'-P energy: -121.167
bonds (distance) P-C4' energy: -113.259
flat angles C4'-P-C4' energy: -98.020
flat angles P-C4'-P energy: -67.566
tors. eta vs tors. theta energy: 10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2382.732869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.732869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.732869 (E_RNA)
where:
Base-Base interactions energy: -1654.748
where: short stacking energy: -716.881
Base-Backbone interact. energy: -5.867
local terms energy: -722.118282
where:
bonds (distance) C4'-P energy: -139.788
bonds (distance) P-C4' energy: -142.207
flat angles C4'-P-C4' energy: -147.140
flat angles P-C4'-P energy: -113.391
tors. eta vs tors. theta energy: -179.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2272.809761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.809761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.809761 (E_RNA)
where:
Base-Base interactions energy: -1525.215
where: short stacking energy: -646.265
Base-Backbone interact. energy: -2.976
local terms energy: -744.618096
where:
bonds (distance) C4'-P energy: -131.132
bonds (distance) P-C4' energy: -149.113
flat angles C4'-P-C4' energy: -164.356
flat angles P-C4'-P energy: -105.890
tors. eta vs tors. theta energy: -194.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2125.694112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.694112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.694112 (E_RNA)
where:
Base-Base interactions energy: -1414.304
where: short stacking energy: -644.046
Base-Backbone interact. energy: 1.963
local terms energy: -713.353614
where:
bonds (distance) C4'-P energy: -141.563
bonds (distance) P-C4' energy: -141.756
flat angles C4'-P-C4' energy: -149.771
flat angles P-C4'-P energy: -104.044
tors. eta vs tors. theta energy: -176.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2037.789969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.789969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.789969 (E_RNA)
where:
Base-Base interactions energy: -1356.975
where: short stacking energy: -570.027
Base-Backbone interact. energy: -4.328
local terms energy: -676.486728
where:
bonds (distance) C4'-P energy: -144.855
bonds (distance) P-C4' energy: -143.556
flat angles C4'-P-C4' energy: -153.243
flat angles P-C4'-P energy: -93.180
tors. eta vs tors. theta energy: -141.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1858.983185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.983185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.983185 (E_RNA)
where:
Base-Base interactions energy: -1238.014
where: short stacking energy: -565.790
Base-Backbone interact. energy: -3.876
local terms energy: -617.092824
where:
bonds (distance) C4'-P energy: -129.338
bonds (distance) P-C4' energy: -116.799
flat angles C4'-P-C4' energy: -140.350
flat angles P-C4'-P energy: -89.437
tors. eta vs tors. theta energy: -141.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1615.797457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.797457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.797457 (E_RNA)
where:
Base-Base interactions energy: -1013.917
where: short stacking energy: -451.770
Base-Backbone interact. energy: 1.390
local terms energy: -603.270452
where:
bonds (distance) C4'-P energy: -122.734
bonds (distance) P-C4' energy: -141.581
flat angles C4'-P-C4' energy: -140.880
flat angles P-C4'-P energy: -89.393
tors. eta vs tors. theta energy: -108.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1452.501649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.501649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.501649 (E_RNA)
where:
Base-Base interactions energy: -925.643
where: short stacking energy: -433.467
Base-Backbone interact. energy: -5.532
local terms energy: -521.326794
where:
bonds (distance) C4'-P energy: -132.155
bonds (distance) P-C4' energy: -120.157
flat angles C4'-P-C4' energy: -128.133
flat angles P-C4'-P energy: -67.431
tors. eta vs tors. theta energy: -73.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1191.201166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.201166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.201166 (E_RNA)
where:
Base-Base interactions energy: -699.703
where: short stacking energy: -347.362
Base-Backbone interact. energy: -0.417
local terms energy: -491.081409
where:
bonds (distance) C4'-P energy: -112.970
bonds (distance) P-C4' energy: -146.104
flat angles C4'-P-C4' energy: -129.403
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -39.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -908.687255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.687255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.687255 (E_RNA)
where:
Base-Base interactions energy: -494.149
where: short stacking energy: -240.377
Base-Backbone interact. energy: -2.014
local terms energy: -412.524698
where:
bonds (distance) C4'-P energy: -115.267
bonds (distance) P-C4' energy: -115.594
flat angles C4'-P-C4' energy: -105.512
flat angles P-C4'-P energy: -75.675
tors. eta vs tors. theta energy: -0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -791.989535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.989535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.989535 (E_RNA)
where:
Base-Base interactions energy: -366.387
where: short stacking energy: -190.138
Base-Backbone interact. energy: -2.347
local terms energy: -423.255111
where:
bonds (distance) C4'-P energy: -126.019
bonds (distance) P-C4' energy: -127.918
flat angles C4'-P-C4' energy: -117.464
flat angles P-C4'-P energy: -55.577
tors. eta vs tors. theta energy: 3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2381.591156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.591156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.591156 (E_RNA)
where:
Base-Base interactions energy: -1645.388
where: short stacking energy: -693.578
Base-Backbone interact. energy: -6.310
local terms energy: -729.892902
where:
bonds (distance) C4'-P energy: -143.766
bonds (distance) P-C4' energy: -145.492
flat angles C4'-P-C4' energy: -164.699
flat angles P-C4'-P energy: -99.084
tors. eta vs tors. theta energy: -176.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2297.036826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.036826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.036826 (E_RNA)
where:
Base-Base interactions energy: -1563.810
where: short stacking energy: -668.651
Base-Backbone interact. energy: -6.045
local terms energy: -727.181709
where:
bonds (distance) C4'-P energy: -148.997
bonds (distance) P-C4' energy: -131.900
flat angles C4'-P-C4' energy: -153.391
flat angles P-C4'-P energy: -106.854
tors. eta vs tors. theta energy: -186.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2130.796575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.796575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.796575 (E_RNA)
where:
Base-Base interactions energy: -1412.978
where: short stacking energy: -631.716
Base-Backbone interact. energy: -0.886
local terms energy: -716.933038
where:
bonds (distance) C4'-P energy: -136.953
bonds (distance) P-C4' energy: -148.371
flat angles C4'-P-C4' energy: -166.492
flat angles P-C4'-P energy: -87.065
tors. eta vs tors. theta energy: -178.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -2019.498328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.498328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.498328 (E_RNA)
where:
Base-Base interactions energy: -1375.826
where: short stacking energy: -578.623
Base-Backbone interact. energy: -0.077
local terms energy: -643.595256
where:
bonds (distance) C4'-P energy: -127.332
bonds (distance) P-C4' energy: -130.883
flat angles C4'-P-C4' energy: -148.882
flat angles P-C4'-P energy: -85.748
tors. eta vs tors. theta energy: -150.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1865.420121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.420121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.420121 (E_RNA)
where:
Base-Base interactions energy: -1201.190
where: short stacking energy: -555.936
Base-Backbone interact. energy: -0.046
local terms energy: -664.183515
where:
bonds (distance) C4'-P energy: -130.769
bonds (distance) P-C4' energy: -132.119
flat angles C4'-P-C4' energy: -147.909
flat angles P-C4'-P energy: -99.254
tors. eta vs tors. theta energy: -154.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1611.060290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.060290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.060290 (E_RNA)
where:
Base-Base interactions energy: -1073.748
where: short stacking energy: -462.644
Base-Backbone interact. energy: 0.514
local terms energy: -537.826447
where:
bonds (distance) C4'-P energy: -118.625
bonds (distance) P-C4' energy: -106.167
flat angles C4'-P-C4' energy: -130.239
flat angles P-C4'-P energy: -80.498
tors. eta vs tors. theta energy: -102.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1450.421964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.421964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.421964 (E_RNA)
where:
Base-Base interactions energy: -871.225
where: short stacking energy: -422.060
Base-Backbone interact. energy: -1.533
local terms energy: -577.664455
where:
bonds (distance) C4'-P energy: -122.888
bonds (distance) P-C4' energy: -130.036
flat angles C4'-P-C4' energy: -142.415
flat angles P-C4'-P energy: -90.381
tors. eta vs tors. theta energy: -91.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1258.845424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.845424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.845424 (E_RNA)
where:
Base-Base interactions energy: -750.748
where: short stacking energy: -372.118
Base-Backbone interact. energy: 0.889
local terms energy: -508.985800
where:
bonds (distance) C4'-P energy: -105.572
bonds (distance) P-C4' energy: -142.786
flat angles C4'-P-C4' energy: -127.923
flat angles P-C4'-P energy: -72.830
tors. eta vs tors. theta energy: -59.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -872.987317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.987317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.987317 (E_RNA)
where:
Base-Base interactions energy: -442.275
where: short stacking energy: -246.350
Base-Backbone interact. energy: 5.717
local terms energy: -436.429162
where:
bonds (distance) C4'-P energy: -134.695
bonds (distance) P-C4' energy: -104.715
flat angles C4'-P-C4' energy: -101.425
flat angles P-C4'-P energy: -87.165
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -769.275003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.275003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.275003 (E_RNA)
where:
Base-Base interactions energy: -378.044
where: short stacking energy: -231.307
Base-Backbone interact. energy: -1.474
local terms energy: -389.756794
where:
bonds (distance) C4'-P energy: -108.220
bonds (distance) P-C4' energy: -127.681
flat angles C4'-P-C4' energy: -95.491
flat angles P-C4'-P energy: -52.547
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2396.207079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.207079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.207079 (E_RNA)
where:
Base-Base interactions energy: -1659.510
where: short stacking energy: -684.640
Base-Backbone interact. energy: -2.863
local terms energy: -733.834740
where:
bonds (distance) C4'-P energy: -145.418
bonds (distance) P-C4' energy: -156.394
flat angles C4'-P-C4' energy: -162.459
flat angles P-C4'-P energy: -90.494
tors. eta vs tors. theta energy: -179.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2291.250682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.250682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.250682 (E_RNA)
where:
Base-Base interactions energy: -1543.545
where: short stacking energy: -684.261
Base-Backbone interact. energy: -2.022
local terms energy: -745.684028
where:
bonds (distance) C4'-P energy: -143.301
bonds (distance) P-C4' energy: -160.142
flat angles C4'-P-C4' energy: -164.552
flat angles P-C4'-P energy: -111.667
tors. eta vs tors. theta energy: -166.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2121.845491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.845491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.845491 (E_RNA)
where:
Base-Base interactions energy: -1411.992
where: short stacking energy: -691.329
Base-Backbone interact. energy: -4.809
local terms energy: -705.044876
where:
bonds (distance) C4'-P energy: -142.801
bonds (distance) P-C4' energy: -135.586
flat angles C4'-P-C4' energy: -139.098
flat angles P-C4'-P energy: -103.774
tors. eta vs tors. theta energy: -183.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2038.351705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.351705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.351705 (E_RNA)
where:
Base-Base interactions energy: -1367.106
where: short stacking energy: -579.826
Base-Backbone interact. energy: -5.222
local terms energy: -666.023315
where:
bonds (distance) C4'-P energy: -135.797
bonds (distance) P-C4' energy: -132.645
flat angles C4'-P-C4' energy: -150.861
flat angles P-C4'-P energy: -91.148
tors. eta vs tors. theta energy: -155.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1828.827369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.827369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.827369 (E_RNA)
where:
Base-Base interactions energy: -1174.532
where: short stacking energy: -546.174
Base-Backbone interact. energy: -1.753
local terms energy: -652.542429
where:
bonds (distance) C4'-P energy: -120.323
bonds (distance) P-C4' energy: -147.527
flat angles C4'-P-C4' energy: -146.142
flat angles P-C4'-P energy: -90.305
tors. eta vs tors. theta energy: -148.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1648.761219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.761219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.761219 (E_RNA)
where:
Base-Base interactions energy: -1089.376
where: short stacking energy: -475.681
Base-Backbone interact. energy: -2.817
local terms energy: -556.568266
where:
bonds (distance) C4'-P energy: -117.670
bonds (distance) P-C4' energy: -124.251
flat angles C4'-P-C4' energy: -135.025
flat angles P-C4'-P energy: -63.239
tors. eta vs tors. theta energy: -116.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1508.031751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.031751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.031751 (E_RNA)
where:
Base-Base interactions energy: -963.976
where: short stacking energy: -460.382
Base-Backbone interact. energy: -3.377
local terms energy: -540.678953
where:
bonds (distance) C4'-P energy: -104.793
bonds (distance) P-C4' energy: -120.452
flat angles C4'-P-C4' energy: -131.983
flat angles P-C4'-P energy: -78.893
tors. eta vs tors. theta energy: -104.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1246.911405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.911405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.911405 (E_RNA)
where:
Base-Base interactions energy: -745.298
where: short stacking energy: -363.832
Base-Backbone interact. energy: 0.495
local terms energy: -502.107885
where:
bonds (distance) C4'-P energy: -116.892
bonds (distance) P-C4' energy: -129.451
flat angles C4'-P-C4' energy: -113.972
flat angles P-C4'-P energy: -76.633
tors. eta vs tors. theta energy: -65.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -844.013654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.013654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.013654 (E_RNA)
where:
Base-Base interactions energy: -435.106
where: short stacking energy: -252.392
Base-Backbone interact. energy: 4.597
local terms energy: -413.504531
where:
bonds (distance) C4'-P energy: -108.184
bonds (distance) P-C4' energy: -128.038
flat angles C4'-P-C4' energy: -110.436
flat angles P-C4'-P energy: -49.944
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -779.272914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.272914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.272914 (E_RNA)
where:
Base-Base interactions energy: -381.233
where: short stacking energy: -243.139
Base-Backbone interact. energy: -1.645
local terms energy: -396.395763
where:
bonds (distance) C4'-P energy: -94.930
bonds (distance) P-C4' energy: -124.827
flat angles C4'-P-C4' energy: -115.434
flat angles P-C4'-P energy: -51.707
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2418.463689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.463689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.463689 (E_RNA)
where:
Base-Base interactions energy: -1695.194
where: short stacking energy: -713.999
Base-Backbone interact. energy: -4.475
local terms energy: -718.795043
where:
bonds (distance) C4'-P energy: -129.454
bonds (distance) P-C4' energy: -140.554
flat angles C4'-P-C4' energy: -157.826
flat angles P-C4'-P energy: -105.736
tors. eta vs tors. theta energy: -185.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2313.511793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.511793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.511793 (E_RNA)
where:
Base-Base interactions energy: -1584.413
where: short stacking energy: -663.020
Base-Backbone interact. energy: -1.864
local terms energy: -727.234700
where:
bonds (distance) C4'-P energy: -144.780
bonds (distance) P-C4' energy: -141.175
flat angles C4'-P-C4' energy: -156.219
flat angles P-C4'-P energy: -101.667
tors. eta vs tors. theta energy: -183.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2107.783177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.783177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.783177 (E_RNA)
where:
Base-Base interactions energy: -1414.164
where: short stacking energy: -641.130
Base-Backbone interact. energy: -1.324
local terms energy: -692.295172
where:
bonds (distance) C4'-P energy: -132.479
bonds (distance) P-C4' energy: -121.719
flat angles C4'-P-C4' energy: -152.539
flat angles P-C4'-P energy: -100.133
tors. eta vs tors. theta energy: -185.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2064.647762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.647762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.647762 (E_RNA)
where:
Base-Base interactions energy: -1378.987
where: short stacking energy: -601.021
Base-Backbone interact. energy: 4.229
local terms energy: -689.890159
where:
bonds (distance) C4'-P energy: -135.730
bonds (distance) P-C4' energy: -140.322
flat angles C4'-P-C4' energy: -147.910
flat angles P-C4'-P energy: -99.836
tors. eta vs tors. theta energy: -166.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1863.641405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.641405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.641405 (E_RNA)
where:
Base-Base interactions energy: -1186.754
where: short stacking energy: -559.015
Base-Backbone interact. energy: -0.780
local terms energy: -676.107797
where:
bonds (distance) C4'-P energy: -124.002
bonds (distance) P-C4' energy: -137.163
flat angles C4'-P-C4' energy: -152.994
flat angles P-C4'-P energy: -101.302
tors. eta vs tors. theta energy: -160.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1666.041449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.041449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.041449 (E_RNA)
where:
Base-Base interactions energy: -1066.042
where: short stacking energy: -495.497
Base-Backbone interact. energy: -1.615
local terms energy: -598.384045
where:
bonds (distance) C4'-P energy: -122.458
bonds (distance) P-C4' energy: -126.537
flat angles C4'-P-C4' energy: -143.393
flat angles P-C4'-P energy: -92.771
tors. eta vs tors. theta energy: -113.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1496.732230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.732230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.732230 (E_RNA)
where:
Base-Base interactions energy: -966.819
where: short stacking energy: -416.967
Base-Backbone interact. energy: -2.851
local terms energy: -527.062135
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -145.862
flat angles C4'-P-C4' energy: -117.950
flat angles P-C4'-P energy: -71.146
tors. eta vs tors. theta energy: -76.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1198.855747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.855747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.855747 (E_RNA)
where:
Base-Base interactions energy: -754.538
where: short stacking energy: -343.963
Base-Backbone interact. energy: 3.246
local terms energy: -447.564190
where:
bonds (distance) C4'-P energy: -114.533
bonds (distance) P-C4' energy: -118.750
flat angles C4'-P-C4' energy: -122.110
flat angles P-C4'-P energy: -58.527
tors. eta vs tors. theta energy: -33.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -841.473144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.473144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.473144 (E_RNA)
where:
Base-Base interactions energy: -450.984
where: short stacking energy: -268.257
Base-Backbone interact. energy: 0.619
local terms energy: -391.107949
where:
bonds (distance) C4'-P energy: -102.642
bonds (distance) P-C4' energy: -108.020
flat angles C4'-P-C4' energy: -105.228
flat angles P-C4'-P energy: -57.138
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -741.379534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.379534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.379534 (E_RNA)
where:
Base-Base interactions energy: -344.341
where: short stacking energy: -186.816
Base-Backbone interact. energy: 0.474
local terms energy: -397.512437
where:
bonds (distance) C4'-P energy: -121.074
bonds (distance) P-C4' energy: -130.145
flat angles C4'-P-C4' energy: -105.460
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: 26.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2393.658211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.658211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.658211 (E_RNA)
where:
Base-Base interactions energy: -1660.975
where: short stacking energy: -691.754
Base-Backbone interact. energy: -2.746
local terms energy: -729.937282
where:
bonds (distance) C4'-P energy: -135.252
bonds (distance) P-C4' energy: -145.832
flat angles C4'-P-C4' energy: -169.834
flat angles P-C4'-P energy: -105.429
tors. eta vs tors. theta energy: -173.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2320.323165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.323165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.323165 (E_RNA)
where:
Base-Base interactions energy: -1622.687
where: short stacking energy: -684.096
Base-Backbone interact. energy: 2.339
local terms energy: -699.975011
where:
bonds (distance) C4'-P energy: -129.417
bonds (distance) P-C4' energy: -128.213
flat angles C4'-P-C4' energy: -148.069
flat angles P-C4'-P energy: -103.844
tors. eta vs tors. theta energy: -190.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2133.989455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.989455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.989455 (E_RNA)
where:
Base-Base interactions energy: -1449.779
where: short stacking energy: -642.890
Base-Backbone interact. energy: -1.210
local terms energy: -683.000069
where:
bonds (distance) C4'-P energy: -136.312
bonds (distance) P-C4' energy: -127.737
flat angles C4'-P-C4' energy: -151.805
flat angles P-C4'-P energy: -90.144
tors. eta vs tors. theta energy: -177.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2067.164171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.164171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.164171 (E_RNA)
where:
Base-Base interactions energy: -1397.541
where: short stacking energy: -619.836
Base-Backbone interact. energy: -0.680
local terms energy: -668.942404
where:
bonds (distance) C4'-P energy: -127.245
bonds (distance) P-C4' energy: -120.477
flat angles C4'-P-C4' energy: -149.207
flat angles P-C4'-P energy: -98.649
tors. eta vs tors. theta energy: -173.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1919.826285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.826285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.826285 (E_RNA)
where:
Base-Base interactions energy: -1256.714
where: short stacking energy: -560.742
Base-Backbone interact. energy: -2.343
local terms energy: -660.769332
where:
bonds (distance) C4'-P energy: -129.670
bonds (distance) P-C4' energy: -141.494
flat angles C4'-P-C4' energy: -143.589
flat angles P-C4'-P energy: -99.086
tors. eta vs tors. theta energy: -146.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1635.189649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.189649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.189649 (E_RNA)
where:
Base-Base interactions energy: -1059.005
where: short stacking energy: -469.891
Base-Backbone interact. energy: -4.347
local terms energy: -571.837887
where:
bonds (distance) C4'-P energy: -128.469
bonds (distance) P-C4' energy: -125.119
flat angles C4'-P-C4' energy: -134.334
flat angles P-C4'-P energy: -82.437
tors. eta vs tors. theta energy: -101.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1440.129286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.129286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.129286 (E_RNA)
where:
Base-Base interactions energy: -891.080
where: short stacking energy: -423.477
Base-Backbone interact. energy: 0.379
local terms energy: -549.427742
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -140.340
flat angles C4'-P-C4' energy: -128.152
flat angles P-C4'-P energy: -81.221
tors. eta vs tors. theta energy: -95.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1205.923511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.923511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.923511 (E_RNA)
where:
Base-Base interactions energy: -691.214
where: short stacking energy: -365.134
Base-Backbone interact. energy: -1.405
local terms energy: -513.304376
where:
bonds (distance) C4'-P energy: -135.570
bonds (distance) P-C4' energy: -122.685
flat angles C4'-P-C4' energy: -123.992
flat angles P-C4'-P energy: -66.445
tors. eta vs tors. theta energy: -64.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -896.451889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.451889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.451889 (E_RNA)
where:
Base-Base interactions energy: -453.896
where: short stacking energy: -251.029
Base-Backbone interact. energy: 0.232
local terms energy: -442.788059
where:
bonds (distance) C4'-P energy: -114.589
bonds (distance) P-C4' energy: -115.530
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -93.836
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -761.609371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.609371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.609371 (E_RNA)
where:
Base-Base interactions energy: -377.627
where: short stacking energy: -209.437
Base-Backbone interact. energy: 3.338
local terms energy: -387.319508
where:
bonds (distance) C4'-P energy: -110.114
bonds (distance) P-C4' energy: -118.042
flat angles C4'-P-C4' energy: -111.863
flat angles P-C4'-P energy: -45.496
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2393.765447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.765447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.765447 (E_RNA)
where:
Base-Base interactions energy: -1659.918
where: short stacking energy: -686.458
Base-Backbone interact. energy: -0.550
local terms energy: -733.297329
where:
bonds (distance) C4'-P energy: -143.710
bonds (distance) P-C4' energy: -150.457
flat angles C4'-P-C4' energy: -152.043
flat angles P-C4'-P energy: -107.910
tors. eta vs tors. theta energy: -179.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2363.348675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.348675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.348675 (E_RNA)
where:
Base-Base interactions energy: -1611.407
where: short stacking energy: -706.935
Base-Backbone interact. energy: -3.812
local terms energy: -748.130383
where:
bonds (distance) C4'-P energy: -151.838
bonds (distance) P-C4' energy: -137.873
flat angles C4'-P-C4' energy: -151.820
flat angles P-C4'-P energy: -104.439
tors. eta vs tors. theta energy: -202.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2126.835451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.835451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.835451 (E_RNA)
where:
Base-Base interactions energy: -1416.236
where: short stacking energy: -619.690
Base-Backbone interact. energy: -4.772
local terms energy: -705.827348
where:
bonds (distance) C4'-P energy: -134.540
bonds (distance) P-C4' energy: -147.056
flat angles C4'-P-C4' energy: -149.602
flat angles P-C4'-P energy: -105.901
tors. eta vs tors. theta energy: -168.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2064.744813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.744813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.744813 (E_RNA)
where:
Base-Base interactions energy: -1353.866
where: short stacking energy: -624.784
Base-Backbone interact. energy: -2.427
local terms energy: -708.452350
where:
bonds (distance) C4'-P energy: -135.703
bonds (distance) P-C4' energy: -140.794
flat angles C4'-P-C4' energy: -148.125
flat angles P-C4'-P energy: -97.826
tors. eta vs tors. theta energy: -186.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1959.390544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.390544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.390544 (E_RNA)
where:
Base-Base interactions energy: -1305.738
where: short stacking energy: -592.425
Base-Backbone interact. energy: 2.246
local terms energy: -655.898780
where:
bonds (distance) C4'-P energy: -141.436
bonds (distance) P-C4' energy: -123.577
flat angles C4'-P-C4' energy: -143.594
flat angles P-C4'-P energy: -90.718
tors. eta vs tors. theta energy: -156.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1683.676806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.676806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.676806 (E_RNA)
where:
Base-Base interactions energy: -1073.736
where: short stacking energy: -511.264
Base-Backbone interact. energy: -0.056
local terms energy: -609.884636
where:
bonds (distance) C4'-P energy: -131.319
bonds (distance) P-C4' energy: -121.625
flat angles C4'-P-C4' energy: -144.874
flat angles P-C4'-P energy: -88.485
tors. eta vs tors. theta energy: -123.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1470.194394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.194394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.194394 (E_RNA)
where:
Base-Base interactions energy: -934.952
where: short stacking energy: -427.972
Base-Backbone interact. energy: -3.819
local terms energy: -531.423031
where:
bonds (distance) C4'-P energy: -111.724
bonds (distance) P-C4' energy: -131.074
flat angles C4'-P-C4' energy: -131.114
flat angles P-C4'-P energy: -88.049
tors. eta vs tors. theta energy: -69.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1154.923617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.923617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.923617 (E_RNA)
where:
Base-Base interactions energy: -669.013
where: short stacking energy: -317.007
Base-Backbone interact. energy: -3.902
local terms energy: -482.008606
where:
bonds (distance) C4'-P energy: -117.803
bonds (distance) P-C4' energy: -119.488
flat angles C4'-P-C4' energy: -125.450
flat angles P-C4'-P energy: -83.477
tors. eta vs tors. theta energy: -35.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -936.133521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.133521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.133521 (E_RNA)
where:
Base-Base interactions energy: -534.013
where: short stacking energy: -269.153
Base-Backbone interact. energy: -0.733
local terms energy: -401.387967
where:
bonds (distance) C4'-P energy: -107.025
bonds (distance) P-C4' energy: -110.861
flat angles C4'-P-C4' energy: -98.971
flat angles P-C4'-P energy: -69.254
tors. eta vs tors. theta energy: -15.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -831.559132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.559132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.559132 (E_RNA)
where:
Base-Base interactions energy: -438.433
where: short stacking energy: -242.066
Base-Backbone interact. energy: 9.779
local terms energy: -402.904834
where:
bonds (distance) C4'-P energy: -134.471
bonds (distance) P-C4' energy: -117.758
flat angles C4'-P-C4' energy: -91.149
flat angles P-C4'-P energy: -69.006
tors. eta vs tors. theta energy: 9.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2396.037998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.037998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.037998 (E_RNA)
where:
Base-Base interactions energy: -1669.436
where: short stacking energy: -699.381
Base-Backbone interact. energy: -2.030
local terms energy: -724.571608
where:
bonds (distance) C4'-P energy: -142.315
bonds (distance) P-C4' energy: -140.171
flat angles C4'-P-C4' energy: -163.081
flat angles P-C4'-P energy: -102.743
tors. eta vs tors. theta energy: -176.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2362.999458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.999458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.999458 (E_RNA)
where:
Base-Base interactions energy: -1606.344
where: short stacking energy: -686.007
Base-Backbone interact. energy: -0.334
local terms energy: -756.322074
where:
bonds (distance) C4'-P energy: -133.772
bonds (distance) P-C4' energy: -147.777
flat angles C4'-P-C4' energy: -158.766
flat angles P-C4'-P energy: -117.088
tors. eta vs tors. theta energy: -198.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2134.708154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.708154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.708154 (E_RNA)
where:
Base-Base interactions energy: -1443.475
where: short stacking energy: -622.368
Base-Backbone interact. energy: -4.069
local terms energy: -687.164764
where:
bonds (distance) C4'-P energy: -130.374
bonds (distance) P-C4' energy: -133.678
flat angles C4'-P-C4' energy: -153.297
flat angles P-C4'-P energy: -103.704
tors. eta vs tors. theta energy: -166.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2051.170570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.170570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.170570 (E_RNA)
where:
Base-Base interactions energy: -1370.264
where: short stacking energy: -603.224
Base-Backbone interact. energy: -1.557
local terms energy: -679.350099
where:
bonds (distance) C4'-P energy: -134.401
bonds (distance) P-C4' energy: -137.776
flat angles C4'-P-C4' energy: -145.201
flat angles P-C4'-P energy: -92.092
tors. eta vs tors. theta energy: -169.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1937.349432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.349432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.349432 (E_RNA)
where:
Base-Base interactions energy: -1256.736
where: short stacking energy: -586.461
Base-Backbone interact. energy: -1.218
local terms energy: -679.395769
where:
bonds (distance) C4'-P energy: -129.024
bonds (distance) P-C4' energy: -123.922
flat angles C4'-P-C4' energy: -156.923
flat angles P-C4'-P energy: -114.576
tors. eta vs tors. theta energy: -154.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1677.211156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.211156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.211156 (E_RNA)
where:
Base-Base interactions energy: -1089.396
where: short stacking energy: -490.791
Base-Backbone interact. energy: -4.051
local terms energy: -583.764107
where:
bonds (distance) C4'-P energy: -134.379
bonds (distance) P-C4' energy: -140.619
flat angles C4'-P-C4' energy: -119.361
flat angles P-C4'-P energy: -77.148
tors. eta vs tors. theta energy: -112.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1458.622585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.622585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.622585 (E_RNA)
where:
Base-Base interactions energy: -923.339
where: short stacking energy: -422.153
Base-Backbone interact. energy: 1.263
local terms energy: -536.547296
where:
bonds (distance) C4'-P energy: -136.222
bonds (distance) P-C4' energy: -127.000
flat angles C4'-P-C4' energy: -122.190
flat angles P-C4'-P energy: -69.791
tors. eta vs tors. theta energy: -81.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1181.506515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.506515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.506515 (E_RNA)
where:
Base-Base interactions energy: -706.837
where: short stacking energy: -349.201
Base-Backbone interact. energy: 6.431
local terms energy: -481.101113
where:
bonds (distance) C4'-P energy: -106.854
bonds (distance) P-C4' energy: -135.735
flat angles C4'-P-C4' energy: -126.956
flat angles P-C4'-P energy: -68.848
tors. eta vs tors. theta energy: -42.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -836.387370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.387370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.387370 (E_RNA)
where:
Base-Base interactions energy: -458.684
where: short stacking energy: -242.203
Base-Backbone interact. energy: -3.151
local terms energy: -374.552124
where:
bonds (distance) C4'-P energy: -103.567
bonds (distance) P-C4' energy: -118.306
flat angles C4'-P-C4' energy: -89.587
flat angles P-C4'-P energy: -64.611
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -902.589378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.589378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.589378 (E_RNA)
where:
Base-Base interactions energy: -495.639
where: short stacking energy: -270.809
Base-Backbone interact. energy: 0.665
local terms energy: -407.615063
where:
bonds (distance) C4'-P energy: -117.799
bonds (distance) P-C4' energy: -124.322
flat angles C4'-P-C4' energy: -99.897
flat angles P-C4'-P energy: -58.473
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2374.287216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.287216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.287216 (E_RNA)
where:
Base-Base interactions energy: -1626.882
where: short stacking energy: -677.693
Base-Backbone interact. energy: -2.020
local terms energy: -745.385121
where:
bonds (distance) C4'-P energy: -150.655
bonds (distance) P-C4' energy: -148.728
flat angles C4'-P-C4' energy: -160.396
flat angles P-C4'-P energy: -106.794
tors. eta vs tors. theta energy: -178.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2372.582944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.582944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.582944 (E_RNA)
where:
Base-Base interactions energy: -1647.429
where: short stacking energy: -711.362
Base-Backbone interact. energy: -1.173
local terms energy: -723.981258
where:
bonds (distance) C4'-P energy: -139.021
bonds (distance) P-C4' energy: -133.175
flat angles C4'-P-C4' energy: -163.648
flat angles P-C4'-P energy: -92.150
tors. eta vs tors. theta energy: -195.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2163.836359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.836359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.836359 (E_RNA)
where:
Base-Base interactions energy: -1482.687
where: short stacking energy: -650.329
Base-Backbone interact. energy: -1.885
local terms energy: -679.264288
where:
bonds (distance) C4'-P energy: -144.600
bonds (distance) P-C4' energy: -132.517
flat angles C4'-P-C4' energy: -150.011
flat angles P-C4'-P energy: -85.469
tors. eta vs tors. theta energy: -166.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2025.357044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.357044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.357044 (E_RNA)
where:
Base-Base interactions energy: -1330.714
where: short stacking energy: -611.150
Base-Backbone interact. energy: 0.375
local terms energy: -695.018222
where:
bonds (distance) C4'-P energy: -135.169
bonds (distance) P-C4' energy: -146.965
flat angles C4'-P-C4' energy: -151.415
flat angles P-C4'-P energy: -96.119
tors. eta vs tors. theta energy: -165.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1863.583270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.583270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.583270 (E_RNA)
where:
Base-Base interactions energy: -1211.657
where: short stacking energy: -561.762
Base-Backbone interact. energy: -0.645
local terms energy: -651.281127
where:
bonds (distance) C4'-P energy: -137.598
bonds (distance) P-C4' energy: -137.487
flat angles C4'-P-C4' energy: -155.750
flat angles P-C4'-P energy: -84.801
tors. eta vs tors. theta energy: -135.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1756.493321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.493321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.493321 (E_RNA)
where:
Base-Base interactions energy: -1152.375
where: short stacking energy: -553.773
Base-Backbone interact. energy: -5.115
local terms energy: -599.002922
where:
bonds (distance) C4'-P energy: -126.667
bonds (distance) P-C4' energy: -122.467
flat angles C4'-P-C4' energy: -138.246
flat angles P-C4'-P energy: -71.029
tors. eta vs tors. theta energy: -140.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1479.769445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.769445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.769445 (E_RNA)
where:
Base-Base interactions energy: -898.152
where: short stacking energy: -418.086
Base-Backbone interact. energy: -3.210
local terms energy: -578.407000
where:
bonds (distance) C4'-P energy: -129.957
bonds (distance) P-C4' energy: -144.443
flat angles C4'-P-C4' energy: -137.793
flat angles P-C4'-P energy: -83.513
tors. eta vs tors. theta energy: -82.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1217.955299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.955299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.955299 (E_RNA)
where:
Base-Base interactions energy: -751.443
where: short stacking energy: -345.240
Base-Backbone interact. energy: 0.750
local terms energy: -467.261866
where:
bonds (distance) C4'-P energy: -107.406
bonds (distance) P-C4' energy: -119.193
flat angles C4'-P-C4' energy: -120.791
flat angles P-C4'-P energy: -60.448
tors. eta vs tors. theta energy: -59.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -851.651170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.651170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.651170 (E_RNA)
where:
Base-Base interactions energy: -451.742
where: short stacking energy: -238.310
Base-Backbone interact. energy: 0.814
local terms energy: -400.723242
where:
bonds (distance) C4'-P energy: -114.895
bonds (distance) P-C4' energy: -114.507
flat angles C4'-P-C4' energy: -92.377
flat angles P-C4'-P energy: -67.652
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -929.468853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.468853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.468853 (E_RNA)
where:
Base-Base interactions energy: -498.012
where: short stacking energy: -261.492
Base-Backbone interact. energy: 1.834
local terms energy: -433.290365
where:
bonds (distance) C4'-P energy: -99.384
bonds (distance) P-C4' energy: -112.088
flat angles C4'-P-C4' energy: -120.494
flat angles P-C4'-P energy: -83.362
tors. eta vs tors. theta energy: -17.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2424.669053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.669053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.669053 (E_RNA)
where:
Base-Base interactions energy: -1647.740
where: short stacking energy: -689.235
Base-Backbone interact. energy: -0.737
local terms energy: -776.191748
where:
bonds (distance) C4'-P energy: -146.706
bonds (distance) P-C4' energy: -161.401
flat angles C4'-P-C4' energy: -162.999
flat angles P-C4'-P energy: -114.156
tors. eta vs tors. theta energy: -190.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2363.132597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.132597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.132597 (E_RNA)
where:
Base-Base interactions energy: -1646.962
where: short stacking energy: -687.170
Base-Backbone interact. energy: -2.847
local terms energy: -713.323807
where:
bonds (distance) C4'-P energy: -153.677
bonds (distance) P-C4' energy: -132.205
flat angles C4'-P-C4' energy: -157.184
flat angles P-C4'-P energy: -88.245
tors. eta vs tors. theta energy: -182.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2206.789598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.789598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.789598 (E_RNA)
where:
Base-Base interactions energy: -1505.596
where: short stacking energy: -641.523
Base-Backbone interact. energy: -1.586
local terms energy: -699.607636
where:
bonds (distance) C4'-P energy: -117.518
bonds (distance) P-C4' energy: -144.613
flat angles C4'-P-C4' energy: -154.602
flat angles P-C4'-P energy: -106.856
tors. eta vs tors. theta energy: -176.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2084.274104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.274104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.274104 (E_RNA)
where:
Base-Base interactions energy: -1383.765
where: short stacking energy: -626.337
Base-Backbone interact. energy: 0.902
local terms energy: -701.410965
where:
bonds (distance) C4'-P energy: -128.468
bonds (distance) P-C4' energy: -137.801
flat angles C4'-P-C4' energy: -159.013
flat angles P-C4'-P energy: -108.158
tors. eta vs tors. theta energy: -167.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1802.197477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.197477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.197477 (E_RNA)
where:
Base-Base interactions energy: -1148.220
where: short stacking energy: -557.806
Base-Backbone interact. energy: -4.249
local terms energy: -649.728506
where:
bonds (distance) C4'-P energy: -130.479
bonds (distance) P-C4' energy: -133.521
flat angles C4'-P-C4' energy: -148.271
flat angles P-C4'-P energy: -96.411
tors. eta vs tors. theta energy: -141.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1745.253885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.253885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.253885 (E_RNA)
where:
Base-Base interactions energy: -1125.028
where: short stacking energy: -521.758
Base-Backbone interact. energy: -1.017
local terms energy: -619.209268
where:
bonds (distance) C4'-P energy: -117.998
bonds (distance) P-C4' energy: -133.448
flat angles C4'-P-C4' energy: -129.126
flat angles P-C4'-P energy: -90.372
tors. eta vs tors. theta energy: -148.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1474.137021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.137021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.137021 (E_RNA)
where:
Base-Base interactions energy: -926.086
where: short stacking energy: -406.386
Base-Backbone interact. energy: -0.309
local terms energy: -547.741848
where:
bonds (distance) C4'-P energy: -130.147
bonds (distance) P-C4' energy: -129.891
flat angles C4'-P-C4' energy: -131.630
flat angles P-C4'-P energy: -84.076
tors. eta vs tors. theta energy: -71.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1206.462267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.462267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.462267 (E_RNA)
where:
Base-Base interactions energy: -732.488
where: short stacking energy: -364.258
Base-Backbone interact. energy: 1.157
local terms energy: -475.132086
where:
bonds (distance) C4'-P energy: -140.582
bonds (distance) P-C4' energy: -117.017
flat angles C4'-P-C4' energy: -110.093
flat angles P-C4'-P energy: -54.960
tors. eta vs tors. theta energy: -52.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -956.606962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.606962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.606962 (E_RNA)
where:
Base-Base interactions energy: -542.600
where: short stacking energy: -296.550
Base-Backbone interact. energy: 10.392
local terms energy: -424.398718
where:
bonds (distance) C4'-P energy: -99.842
bonds (distance) P-C4' energy: -122.716
flat angles C4'-P-C4' energy: -114.740
flat angles P-C4'-P energy: -68.465
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -777.914768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.914768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.914768 (E_RNA)
where:
Base-Base interactions energy: -402.874
where: short stacking energy: -197.527
Base-Backbone interact. energy: 17.970
local terms energy: -393.011050
where:
bonds (distance) C4'-P energy: -132.265
bonds (distance) P-C4' energy: -116.547
flat angles C4'-P-C4' energy: -108.809
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: 9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2444.522090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.522090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.522090 (E_RNA)
where:
Base-Base interactions energy: -1690.666
where: short stacking energy: -696.877
Base-Backbone interact. energy: -2.149
local terms energy: -751.706266
where:
bonds (distance) C4'-P energy: -151.519
bonds (distance) P-C4' energy: -137.122
flat angles C4'-P-C4' energy: -158.487
flat angles P-C4'-P energy: -113.870
tors. eta vs tors. theta energy: -190.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2372.437940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.437940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.437940 (E_RNA)
where:
Base-Base interactions energy: -1643.150
where: short stacking energy: -704.061
Base-Backbone interact. energy: -5.051
local terms energy: -724.236757
where:
bonds (distance) C4'-P energy: -113.411
bonds (distance) P-C4' energy: -154.783
flat angles C4'-P-C4' energy: -170.556
flat angles P-C4'-P energy: -99.867
tors. eta vs tors. theta energy: -185.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2195.836593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.836593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.836593 (E_RNA)
where:
Base-Base interactions energy: -1490.998
where: short stacking energy: -625.523
Base-Backbone interact. energy: -0.077
local terms energy: -704.761266
where:
bonds (distance) C4'-P energy: -134.415
bonds (distance) P-C4' energy: -148.825
flat angles C4'-P-C4' energy: -147.874
flat angles P-C4'-P energy: -110.169
tors. eta vs tors. theta energy: -163.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2094.484650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.484650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.484650 (E_RNA)
where:
Base-Base interactions energy: -1402.223
where: short stacking energy: -627.380
Base-Backbone interact. energy: 0.143
local terms energy: -692.404240
where:
bonds (distance) C4'-P energy: -121.141
bonds (distance) P-C4' energy: -139.162
flat angles C4'-P-C4' energy: -160.894
flat angles P-C4'-P energy: -99.968
tors. eta vs tors. theta energy: -171.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1834.724533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.724533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.724533 (E_RNA)
where:
Base-Base interactions energy: -1160.606
where: short stacking energy: -512.132
Base-Backbone interact. energy: 0.282
local terms energy: -674.400412
where:
bonds (distance) C4'-P energy: -140.560
bonds (distance) P-C4' energy: -153.425
flat angles C4'-P-C4' energy: -139.627
flat angles P-C4'-P energy: -93.122
tors. eta vs tors. theta energy: -147.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1703.977284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.977284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.977284 (E_RNA)
where:
Base-Base interactions energy: -1107.971
where: short stacking energy: -513.262
Base-Backbone interact. energy: -1.723
local terms energy: -594.282645
where:
bonds (distance) C4'-P energy: -111.847
bonds (distance) P-C4' energy: -121.664
flat angles C4'-P-C4' energy: -140.109
flat angles P-C4'-P energy: -95.112
tors. eta vs tors. theta energy: -125.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1459.515970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.515970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.515970 (E_RNA)
where:
Base-Base interactions energy: -911.334
where: short stacking energy: -436.484
Base-Backbone interact. energy: -0.205
local terms energy: -547.977085
where:
bonds (distance) C4'-P energy: -115.389
bonds (distance) P-C4' energy: -133.634
flat angles C4'-P-C4' energy: -130.823
flat angles P-C4'-P energy: -85.122
tors. eta vs tors. theta energy: -83.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1280.012303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.012303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.012303 (E_RNA)
where:
Base-Base interactions energy: -774.175
where: short stacking energy: -358.868
Base-Backbone interact. energy: 5.189
local terms energy: -511.025999
where:
bonds (distance) C4'-P energy: -106.648
bonds (distance) P-C4' energy: -132.400
flat angles C4'-P-C4' energy: -131.418
flat angles P-C4'-P energy: -80.074
tors. eta vs tors. theta energy: -60.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -999.697774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.697774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.697774 (E_RNA)
where:
Base-Base interactions energy: -548.282
where: short stacking energy: -265.264
Base-Backbone interact. energy: 1.160
local terms energy: -452.575243
where:
bonds (distance) C4'-P energy: -117.913
bonds (distance) P-C4' energy: -141.714
flat angles C4'-P-C4' energy: -118.449
flat angles P-C4'-P energy: -46.159
tors. eta vs tors. theta energy: -28.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -772.937410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.937410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.937410 (E_RNA)
where:
Base-Base interactions energy: -366.410
where: short stacking energy: -218.596
Base-Backbone interact. energy: 0.970
local terms energy: -407.497458
where:
bonds (distance) C4'-P energy: -119.664
bonds (distance) P-C4' energy: -126.379
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -55.209
tors. eta vs tors. theta energy: 4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2414.200401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.200401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.200401 (E_RNA)
where:
Base-Base interactions energy: -1666.231
where: short stacking energy: -696.273
Base-Backbone interact. energy: -2.043
local terms energy: -745.926081
where:
bonds (distance) C4'-P energy: -139.455
bonds (distance) P-C4' energy: -146.426
flat angles C4'-P-C4' energy: -154.723
flat angles P-C4'-P energy: -116.473
tors. eta vs tors. theta energy: -188.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2325.130461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.130461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.130461 (E_RNA)
where:
Base-Base interactions energy: -1626.153
where: short stacking energy: -660.288
Base-Backbone interact. energy: -4.579
local terms energy: -694.398514
where:
bonds (distance) C4'-P energy: -139.214
bonds (distance) P-C4' energy: -119.189
flat angles C4'-P-C4' energy: -163.962
flat angles P-C4'-P energy: -100.173
tors. eta vs tors. theta energy: -171.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2148.359812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.359812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.359812 (E_RNA)
where:
Base-Base interactions energy: -1448.021
where: short stacking energy: -616.068
Base-Backbone interact. energy: -3.885
local terms energy: -696.453281
where:
bonds (distance) C4'-P energy: -138.262
bonds (distance) P-C4' energy: -145.408
flat angles C4'-P-C4' energy: -149.775
flat angles P-C4'-P energy: -104.608
tors. eta vs tors. theta energy: -158.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2064.203500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.203500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.203500 (E_RNA)
where:
Base-Base interactions energy: -1392.926
where: short stacking energy: -618.874
Base-Backbone interact. energy: -0.746
local terms energy: -670.531647
where:
bonds (distance) C4'-P energy: -112.717
bonds (distance) P-C4' energy: -149.436
flat angles C4'-P-C4' energy: -158.067
flat angles P-C4'-P energy: -93.870
tors. eta vs tors. theta energy: -156.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1776.226216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.226216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.226216 (E_RNA)
where:
Base-Base interactions energy: -1161.303
where: short stacking energy: -527.810
Base-Backbone interact. energy: -2.989
local terms energy: -611.934827
where:
bonds (distance) C4'-P energy: -125.841
bonds (distance) P-C4' energy: -130.844
flat angles C4'-P-C4' energy: -132.709
flat angles P-C4'-P energy: -76.190
tors. eta vs tors. theta energy: -146.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1749.593904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.593904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.593904 (E_RNA)
where:
Base-Base interactions energy: -1163.888
where: short stacking energy: -544.803
Base-Backbone interact. energy: 4.390
local terms energy: -590.095931
where:
bonds (distance) C4'-P energy: -123.213
bonds (distance) P-C4' energy: -130.474
flat angles C4'-P-C4' energy: -137.185
flat angles P-C4'-P energy: -76.659
tors. eta vs tors. theta energy: -122.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1272.681821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.681821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.681821 (E_RNA)
where:
Base-Base interactions energy: -781.301
where: short stacking energy: -366.296
Base-Backbone interact. energy: 0.826
local terms energy: -492.207312
where:
bonds (distance) C4'-P energy: -97.263
bonds (distance) P-C4' energy: -124.017
flat angles C4'-P-C4' energy: -134.836
flat angles P-C4'-P energy: -81.104
tors. eta vs tors. theta energy: -54.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1356.341705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.341705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.341705 (E_RNA)
where:
Base-Base interactions energy: -837.747
where: short stacking energy: -421.541
Base-Backbone interact. energy: -0.251
local terms energy: -518.343979
where:
bonds (distance) C4'-P energy: -114.795
bonds (distance) P-C4' energy: -137.374
flat angles C4'-P-C4' energy: -109.741
flat angles P-C4'-P energy: -69.559
tors. eta vs tors. theta energy: -86.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -970.558451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.558451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.558451 (E_RNA)
where:
Base-Base interactions energy: -528.977
where: short stacking energy: -283.030
Base-Backbone interact. energy: -0.053
local terms energy: -441.528627
where:
bonds (distance) C4'-P energy: -118.441
bonds (distance) P-C4' energy: -124.592
flat angles C4'-P-C4' energy: -127.885
flat angles P-C4'-P energy: -58.580
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -758.335239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.335239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.335239 (E_RNA)
where:
Base-Base interactions energy: -379.516
where: short stacking energy: -209.332
Base-Backbone interact. energy: 1.883
local terms energy: -380.702143
where:
bonds (distance) C4'-P energy: -105.454
bonds (distance) P-C4' energy: -128.200
flat angles C4'-P-C4' energy: -86.484
flat angles P-C4'-P energy: -51.763
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2412.934604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.934604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.934604 (E_RNA)
where:
Base-Base interactions energy: -1671.727
where: short stacking energy: -669.777
Base-Backbone interact. energy: 2.590
local terms energy: -743.797497
where:
bonds (distance) C4'-P energy: -146.570
bonds (distance) P-C4' energy: -145.707
flat angles C4'-P-C4' energy: -145.076
flat angles P-C4'-P energy: -111.801
tors. eta vs tors. theta energy: -194.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2331.084419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.084419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.084419 (E_RNA)
where:
Base-Base interactions energy: -1596.222
where: short stacking energy: -650.333
Base-Backbone interact. energy: -5.063
local terms energy: -729.799144
where:
bonds (distance) C4'-P energy: -151.673
bonds (distance) P-C4' energy: -142.872
flat angles C4'-P-C4' energy: -149.876
flat angles P-C4'-P energy: -110.496
tors. eta vs tors. theta energy: -174.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2180.128007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.128007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.128007 (E_RNA)
where:
Base-Base interactions energy: -1485.408
where: short stacking energy: -628.154
Base-Backbone interact. energy: 3.938
local terms energy: -698.658085
where:
bonds (distance) C4'-P energy: -154.072
bonds (distance) P-C4' energy: -120.359
flat angles C4'-P-C4' energy: -156.232
flat angles P-C4'-P energy: -98.076
tors. eta vs tors. theta energy: -169.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2068.450260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.450260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.450260 (E_RNA)
where:
Base-Base interactions energy: -1397.860
where: short stacking energy: -621.285
Base-Backbone interact. energy: 0.923
local terms energy: -671.513408
where:
bonds (distance) C4'-P energy: -124.235
bonds (distance) P-C4' energy: -125.267
flat angles C4'-P-C4' energy: -142.215
flat angles P-C4'-P energy: -114.672
tors. eta vs tors. theta energy: -165.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1853.745983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.745983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.745983 (E_RNA)
where:
Base-Base interactions energy: -1208.716
where: short stacking energy: -530.862
Base-Backbone interact. energy: -1.904
local terms energy: -643.125591
where:
bonds (distance) C4'-P energy: -121.618
bonds (distance) P-C4' energy: -143.954
flat angles C4'-P-C4' energy: -146.684
flat angles P-C4'-P energy: -91.788
tors. eta vs tors. theta energy: -139.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1709.697491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.697491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.697491 (E_RNA)
where:
Base-Base interactions energy: -1130.282
where: short stacking energy: -526.724
Base-Backbone interact. energy: 2.449
local terms energy: -581.864393
where:
bonds (distance) C4'-P energy: -103.960
bonds (distance) P-C4' energy: -142.667
flat angles C4'-P-C4' energy: -133.344
flat angles P-C4'-P energy: -83.341
tors. eta vs tors. theta energy: -118.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1317.807431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.807431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.807431 (E_RNA)
where:
Base-Base interactions energy: -812.553
where: short stacking energy: -420.717
Base-Backbone interact. energy: 2.424
local terms energy: -507.678820
where:
bonds (distance) C4'-P energy: -109.598
bonds (distance) P-C4' energy: -128.715
flat angles C4'-P-C4' energy: -130.234
flat angles P-C4'-P energy: -65.217
tors. eta vs tors. theta energy: -73.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1337.572509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.572509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.572509 (E_RNA)
where:
Base-Base interactions energy: -815.880
where: short stacking energy: -399.659
Base-Backbone interact. energy: -0.371
local terms energy: -521.321224
where:
bonds (distance) C4'-P energy: -118.342
bonds (distance) P-C4' energy: -112.987
flat angles C4'-P-C4' energy: -127.056
flat angles P-C4'-P energy: -84.414
tors. eta vs tors. theta energy: -78.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1007.268540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.268540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.268540 (E_RNA)
where:
Base-Base interactions energy: -559.112
where: short stacking energy: -304.720
Base-Backbone interact. energy: -1.252
local terms energy: -446.904213
where:
bonds (distance) C4'-P energy: -122.688
bonds (distance) P-C4' energy: -123.011
flat angles C4'-P-C4' energy: -121.031
flat angles P-C4'-P energy: -51.416
tors. eta vs tors. theta energy: -28.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -713.420793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.420793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.420793 (E_RNA)
where:
Base-Base interactions energy: -333.728
where: short stacking energy: -185.972
Base-Backbone interact. energy: -1.529
local terms energy: -378.164031
where:
bonds (distance) C4'-P energy: -129.678
bonds (distance) P-C4' energy: -128.646
flat angles C4'-P-C4' energy: -101.103
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: 30.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2464.131279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.131279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.131279 (E_RNA)
where:
Base-Base interactions energy: -1734.832
where: short stacking energy: -732.198
Base-Backbone interact. energy: 1.205
local terms energy: -730.504511
where:
bonds (distance) C4'-P energy: -143.237
bonds (distance) P-C4' energy: -129.291
flat angles C4'-P-C4' energy: -154.022
flat angles P-C4'-P energy: -94.711
tors. eta vs tors. theta energy: -209.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2340.317779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.317779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.317779 (E_RNA)
where:
Base-Base interactions energy: -1622.534
where: short stacking energy: -693.745
Base-Backbone interact. energy: -4.881
local terms energy: -712.902497
where:
bonds (distance) C4'-P energy: -146.279
bonds (distance) P-C4' energy: -129.423
flat angles C4'-P-C4' energy: -147.845
flat angles P-C4'-P energy: -107.514
tors. eta vs tors. theta energy: -181.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2158.485433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.485433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.485433 (E_RNA)
where:
Base-Base interactions energy: -1471.577
where: short stacking energy: -623.072
Base-Backbone interact. energy: 0.662
local terms energy: -687.569750
where:
bonds (distance) C4'-P energy: -133.292
bonds (distance) P-C4' energy: -140.246
flat angles C4'-P-C4' energy: -135.697
flat angles P-C4'-P energy: -98.024
tors. eta vs tors. theta energy: -180.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2120.884303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.884303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.884303 (E_RNA)
where:
Base-Base interactions energy: -1416.199
where: short stacking energy: -626.991
Base-Backbone interact. energy: -2.283
local terms energy: -702.402651
where:
bonds (distance) C4'-P energy: -142.674
bonds (distance) P-C4' energy: -138.640
flat angles C4'-P-C4' energy: -153.401
flat angles P-C4'-P energy: -99.974
tors. eta vs tors. theta energy: -167.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1853.191586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.191586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.191586 (E_RNA)
where:
Base-Base interactions energy: -1223.562
where: short stacking energy: -569.130
Base-Backbone interact. energy: -0.455
local terms energy: -629.173835
where:
bonds (distance) C4'-P energy: -119.926
bonds (distance) P-C4' energy: -132.700
flat angles C4'-P-C4' energy: -150.708
flat angles P-C4'-P energy: -87.850
tors. eta vs tors. theta energy: -137.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1759.060901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.060901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.060901 (E_RNA)
where:
Base-Base interactions energy: -1164.173
where: short stacking energy: -505.519
Base-Backbone interact. energy: 2.887
local terms energy: -597.774752
where:
bonds (distance) C4'-P energy: -110.294
bonds (distance) P-C4' energy: -148.505
flat angles C4'-P-C4' energy: -137.944
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -120.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1307.786475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.786475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.786475 (E_RNA)
where:
Base-Base interactions energy: -826.513
where: short stacking energy: -411.351
Base-Backbone interact. energy: -0.858
local terms energy: -480.415507
where:
bonds (distance) C4'-P energy: -105.617
bonds (distance) P-C4' energy: -107.286
flat angles C4'-P-C4' energy: -119.095
flat angles P-C4'-P energy: -85.146
tors. eta vs tors. theta energy: -63.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1314.577772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.577772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.577772 (E_RNA)
where:
Base-Base interactions energy: -806.707
where: short stacking energy: -396.416
Base-Backbone interact. energy: 3.187
local terms energy: -511.057876
where:
bonds (distance) C4'-P energy: -104.056
bonds (distance) P-C4' energy: -128.058
flat angles C4'-P-C4' energy: -124.603
flat angles P-C4'-P energy: -78.520
tors. eta vs tors. theta energy: -75.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -934.749009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.749009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.749009 (E_RNA)
where:
Base-Base interactions energy: -483.579
where: short stacking energy: -231.355
Base-Backbone interact. energy: -3.119
local terms energy: -448.051422
where:
bonds (distance) C4'-P energy: -118.656
bonds (distance) P-C4' energy: -143.879
flat angles C4'-P-C4' energy: -104.150
flat angles P-C4'-P energy: -62.332
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -726.958794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.958794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.958794 (E_RNA)
where:
Base-Base interactions energy: -345.427
where: short stacking energy: -199.802
Base-Backbone interact. energy: -1.034
local terms energy: -380.497482
where:
bonds (distance) C4'-P energy: -104.554
bonds (distance) P-C4' energy: -123.820
flat angles C4'-P-C4' energy: -101.941
flat angles P-C4'-P energy: -69.561
tors. eta vs tors. theta energy: 19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2433.404724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.404724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.404724 (E_RNA)
where:
Base-Base interactions energy: -1678.815
where: short stacking energy: -714.560
Base-Backbone interact. energy: -2.895
local terms energy: -751.695338
where:
bonds (distance) C4'-P energy: -138.054
bonds (distance) P-C4' energy: -142.185
flat angles C4'-P-C4' energy: -168.623
flat angles P-C4'-P energy: -99.538
tors. eta vs tors. theta energy: -203.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2312.461452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.461452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.461452 (E_RNA)
where:
Base-Base interactions energy: -1583.265
where: short stacking energy: -669.960
Base-Backbone interact. energy: -4.090
local terms energy: -725.106462
where:
bonds (distance) C4'-P energy: -152.955
bonds (distance) P-C4' energy: -153.428
flat angles C4'-P-C4' energy: -149.360
flat angles P-C4'-P energy: -94.743
tors. eta vs tors. theta energy: -174.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2135.873429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.873429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.873429 (E_RNA)
where:
Base-Base interactions energy: -1446.448
where: short stacking energy: -634.742
Base-Backbone interact. energy: -2.043
local terms energy: -687.382183
where:
bonds (distance) C4'-P energy: -143.776
bonds (distance) P-C4' energy: -126.745
flat angles C4'-P-C4' energy: -158.276
flat angles P-C4'-P energy: -100.330
tors. eta vs tors. theta energy: -158.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2122.827648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.827648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.827648 (E_RNA)
where:
Base-Base interactions energy: -1400.829
where: short stacking energy: -632.891
Base-Backbone interact. energy: -0.819
local terms energy: -721.179770
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -146.306
flat angles C4'-P-C4' energy: -151.276
flat angles P-C4'-P energy: -94.668
tors. eta vs tors. theta energy: -190.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1828.688575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.688575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.688575 (E_RNA)
where:
Base-Base interactions energy: -1203.303
where: short stacking energy: -543.551
Base-Backbone interact. energy: -1.258
local terms energy: -624.126710
where:
bonds (distance) C4'-P energy: -126.298
bonds (distance) P-C4' energy: -134.880
flat angles C4'-P-C4' energy: -145.254
flat angles P-C4'-P energy: -83.921
tors. eta vs tors. theta energy: -133.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1724.133246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.133246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.133246 (E_RNA)
where:
Base-Base interactions energy: -1131.231
where: short stacking energy: -524.024
Base-Backbone interact. energy: 3.669
local terms energy: -596.570677
where:
bonds (distance) C4'-P energy: -127.177
bonds (distance) P-C4' energy: -109.471
flat angles C4'-P-C4' energy: -146.379
flat angles P-C4'-P energy: -78.631
tors. eta vs tors. theta energy: -134.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1305.093126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.093126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.093126 (E_RNA)
where:
Base-Base interactions energy: -802.592
where: short stacking energy: -418.639
Base-Backbone interact. energy: 1.153
local terms energy: -503.653365
where:
bonds (distance) C4'-P energy: -113.017
bonds (distance) P-C4' energy: -115.440
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -74.135
tors. eta vs tors. theta energy: -74.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1331.288814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.288814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.288814 (E_RNA)
where:
Base-Base interactions energy: -788.753
where: short stacking energy: -382.652
Base-Backbone interact. energy: 0.619
local terms energy: -543.154765
where:
bonds (distance) C4'-P energy: -131.819
bonds (distance) P-C4' energy: -123.084
flat angles C4'-P-C4' energy: -115.211
flat angles P-C4'-P energy: -90.063
tors. eta vs tors. theta energy: -82.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1026.691103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.691103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.691103 (E_RNA)
where:
Base-Base interactions energy: -538.154
where: short stacking energy: -254.805
Base-Backbone interact. energy: 2.330
local terms energy: -490.866825
where:
bonds (distance) C4'-P energy: -116.610
bonds (distance) P-C4' energy: -136.561
flat angles C4'-P-C4' energy: -121.847
flat angles P-C4'-P energy: -91.731
tors. eta vs tors. theta energy: -24.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -624.128627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.128627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.128627 (E_RNA)
where:
Base-Base interactions energy: -232.445
where: short stacking energy: -138.318
Base-Backbone interact. energy: 2.252
local terms energy: -393.935661
where:
bonds (distance) C4'-P energy: -124.480
bonds (distance) P-C4' energy: -125.116
flat angles C4'-P-C4' energy: -99.051
flat angles P-C4'-P energy: -68.027
tors. eta vs tors. theta energy: 22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2427.772751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.772751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.772751 (E_RNA)
where:
Base-Base interactions energy: -1681.889
where: short stacking energy: -711.135
Base-Backbone interact. energy: -2.000
local terms energy: -743.883707
where:
bonds (distance) C4'-P energy: -140.806
bonds (distance) P-C4' energy: -139.506
flat angles C4'-P-C4' energy: -164.890
flat angles P-C4'-P energy: -107.744
tors. eta vs tors. theta energy: -190.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2373.345120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.345120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.345120 (E_RNA)
where:
Base-Base interactions energy: -1621.301
where: short stacking energy: -698.276
Base-Backbone interact. energy: -3.531
local terms energy: -748.513528
where:
bonds (distance) C4'-P energy: -140.401
bonds (distance) P-C4' energy: -151.516
flat angles C4'-P-C4' energy: -163.741
flat angles P-C4'-P energy: -106.486
tors. eta vs tors. theta energy: -186.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2161.482122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.482122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.482122 (E_RNA)
where:
Base-Base interactions energy: -1433.624
where: short stacking energy: -647.507
Base-Backbone interact. energy: -7.094
local terms energy: -720.763734
where:
bonds (distance) C4'-P energy: -123.674
bonds (distance) P-C4' energy: -145.489
flat angles C4'-P-C4' energy: -158.603
flat angles P-C4'-P energy: -110.449
tors. eta vs tors. theta energy: -182.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2041.493558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.493558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.493558 (E_RNA)
where:
Base-Base interactions energy: -1388.690
where: short stacking energy: -581.581
Base-Backbone interact. energy: 4.334
local terms energy: -657.137457
where:
bonds (distance) C4'-P energy: -127.005
bonds (distance) P-C4' energy: -124.409
flat angles C4'-P-C4' energy: -157.652
flat angles P-C4'-P energy: -82.726
tors. eta vs tors. theta energy: -165.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1809.939165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.939165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.939165 (E_RNA)
where:
Base-Base interactions energy: -1171.307
where: short stacking energy: -539.782
Base-Backbone interact. energy: -2.065
local terms energy: -636.566582
where:
bonds (distance) C4'-P energy: -139.254
bonds (distance) P-C4' energy: -133.425
flat angles C4'-P-C4' energy: -150.961
flat angles P-C4'-P energy: -93.827
tors. eta vs tors. theta energy: -119.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1731.921458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.921458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.921458 (E_RNA)
where:
Base-Base interactions energy: -1123.085
where: short stacking energy: -522.277
Base-Backbone interact. energy: -1.273
local terms energy: -607.563507
where:
bonds (distance) C4'-P energy: -127.365
bonds (distance) P-C4' energy: -123.598
flat angles C4'-P-C4' energy: -137.081
flat angles P-C4'-P energy: -82.051
tors. eta vs tors. theta energy: -137.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1496.162463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.162463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.162463 (E_RNA)
where:
Base-Base interactions energy: -958.416
where: short stacking energy: -460.893
Base-Backbone interact. energy: -3.208
local terms energy: -534.538661
where:
bonds (distance) C4'-P energy: -92.461
bonds (distance) P-C4' energy: -137.329
flat angles C4'-P-C4' energy: -131.032
flat angles P-C4'-P energy: -77.532
tors. eta vs tors. theta energy: -96.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1210.014445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.014445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.014445 (E_RNA)
where:
Base-Base interactions energy: -714.112
where: short stacking energy: -344.181
Base-Backbone interact. energy: 3.416
local terms energy: -499.317828
where:
bonds (distance) C4'-P energy: -127.657
bonds (distance) P-C4' energy: -127.934
flat angles C4'-P-C4' energy: -122.898
flat angles P-C4'-P energy: -65.944
tors. eta vs tors. theta energy: -54.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1068.332213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.332213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.332213 (E_RNA)
where:
Base-Base interactions energy: -588.757
where: short stacking energy: -284.735
Base-Backbone interact. energy: -3.284
local terms energy: -476.291741
where:
bonds (distance) C4'-P energy: -115.316
bonds (distance) P-C4' energy: -109.332
flat angles C4'-P-C4' energy: -138.341
flat angles P-C4'-P energy: -68.626
tors. eta vs tors. theta energy: -44.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -640.391463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.391463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.391463 (E_RNA)
where:
Base-Base interactions energy: -295.125
where: short stacking energy: -193.718
Base-Backbone interact. energy: -0.713
local terms energy: -344.553350
where:
bonds (distance) C4'-P energy: -108.175
bonds (distance) P-C4' energy: -112.659
flat angles C4'-P-C4' energy: -90.219
flat angles P-C4'-P energy: -52.405
tors. eta vs tors. theta energy: 18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2445.166412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.166412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.166412 (E_RNA)
where:
Base-Base interactions energy: -1682.284
where: short stacking energy: -702.529
Base-Backbone interact. energy: -2.047
local terms energy: -760.835433
where:
bonds (distance) C4'-P energy: -148.792
bonds (distance) P-C4' energy: -151.718
flat angles C4'-P-C4' energy: -160.657
flat angles P-C4'-P energy: -99.189
tors. eta vs tors. theta energy: -200.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2365.935241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.935241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.935241 (E_RNA)
where:
Base-Base interactions energy: -1624.927
where: short stacking energy: -696.221
Base-Backbone interact. energy: 1.467
local terms energy: -742.474839
where:
bonds (distance) C4'-P energy: -139.529
bonds (distance) P-C4' energy: -147.530
flat angles C4'-P-C4' energy: -176.446
flat angles P-C4'-P energy: -97.749
tors. eta vs tors. theta energy: -181.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2093.480103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.480103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.480103 (E_RNA)
where:
Base-Base interactions energy: -1381.552
where: short stacking energy: -635.068
Base-Backbone interact. energy: -0.354
local terms energy: -711.574868
where:
bonds (distance) C4'-P energy: -133.527
bonds (distance) P-C4' energy: -145.186
flat angles C4'-P-C4' energy: -149.457
flat angles P-C4'-P energy: -114.072
tors. eta vs tors. theta energy: -169.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2086.520804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.520804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.520804 (E_RNA)
where:
Base-Base interactions energy: -1390.754
where: short stacking energy: -625.605
Base-Backbone interact. energy: -3.102
local terms energy: -692.664449
where:
bonds (distance) C4'-P energy: -128.743
bonds (distance) P-C4' energy: -136.392
flat angles C4'-P-C4' energy: -158.151
flat angles P-C4'-P energy: -93.249
tors. eta vs tors. theta energy: -176.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1833.037984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.037984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.037984 (E_RNA)
where:
Base-Base interactions energy: -1194.917
where: short stacking energy: -548.143
Base-Backbone interact. energy: -0.227
local terms energy: -637.893701
where:
bonds (distance) C4'-P energy: -137.020
bonds (distance) P-C4' energy: -133.069
flat angles C4'-P-C4' energy: -146.007
flat angles P-C4'-P energy: -78.351
tors. eta vs tors. theta energy: -143.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1774.425922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.425922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.425922 (E_RNA)
where:
Base-Base interactions energy: -1158.648
where: short stacking energy: -521.187
Base-Backbone interact. energy: -1.027
local terms energy: -614.750466
where:
bonds (distance) C4'-P energy: -121.968
bonds (distance) P-C4' energy: -139.011
flat angles C4'-P-C4' energy: -147.950
flat angles P-C4'-P energy: -74.014
tors. eta vs tors. theta energy: -131.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1456.770415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.770415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.770415 (E_RNA)
where:
Base-Base interactions energy: -883.824
where: short stacking energy: -455.334
Base-Backbone interact. energy: -0.269
local terms energy: -572.677832
where:
bonds (distance) C4'-P energy: -121.278
bonds (distance) P-C4' energy: -116.967
flat angles C4'-P-C4' energy: -132.927
flat angles P-C4'-P energy: -87.009
tors. eta vs tors. theta energy: -114.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1259.116008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.116008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.116008 (E_RNA)
where:
Base-Base interactions energy: -747.299
where: short stacking energy: -373.943
Base-Backbone interact. energy: -1.919
local terms energy: -509.897969
where:
bonds (distance) C4'-P energy: -123.365
bonds (distance) P-C4' energy: -119.104
flat angles C4'-P-C4' energy: -130.032
flat angles P-C4'-P energy: -74.222
tors. eta vs tors. theta energy: -63.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1070.791914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.791914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.791914 (E_RNA)
where:
Base-Base interactions energy: -625.624
where: short stacking energy: -305.415
Base-Backbone interact. energy: 2.763
local terms energy: -447.930801
where:
bonds (distance) C4'-P energy: -121.957
bonds (distance) P-C4' energy: -132.052
flat angles C4'-P-C4' energy: -126.079
flat angles P-C4'-P energy: -40.740
tors. eta vs tors. theta energy: -27.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -670.200741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.200741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.200741 (E_RNA)
where:
Base-Base interactions energy: -296.589
where: short stacking energy: -200.706
Base-Backbone interact. energy: 2.781
local terms energy: -376.393031
where:
bonds (distance) C4'-P energy: -101.931
bonds (distance) P-C4' energy: -108.136
flat angles C4'-P-C4' energy: -107.377
flat angles P-C4'-P energy: -59.482
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2457.505316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.505316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.505316 (E_RNA)
where:
Base-Base interactions energy: -1684.902
where: short stacking energy: -727.511
Base-Backbone interact. energy: -0.681
local terms energy: -771.921826
where:
bonds (distance) C4'-P energy: -147.610
bonds (distance) P-C4' energy: -149.901
flat angles C4'-P-C4' energy: -157.257
flat angles P-C4'-P energy: -116.021
tors. eta vs tors. theta energy: -201.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2355.109606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.109606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.109606 (E_RNA)
where:
Base-Base interactions energy: -1629.173
where: short stacking energy: -688.150
Base-Backbone interact. energy: -2.698
local terms energy: -723.238844
where:
bonds (distance) C4'-P energy: -140.562
bonds (distance) P-C4' energy: -130.326
flat angles C4'-P-C4' energy: -166.587
flat angles P-C4'-P energy: -110.668
tors. eta vs tors. theta energy: -175.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2131.662715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.662715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.662715 (E_RNA)
where:
Base-Base interactions energy: -1405.146
where: short stacking energy: -615.529
Base-Backbone interact. energy: -3.140
local terms energy: -723.377068
where:
bonds (distance) C4'-P energy: -147.226
bonds (distance) P-C4' energy: -138.174
flat angles C4'-P-C4' energy: -169.363
flat angles P-C4'-P energy: -101.784
tors. eta vs tors. theta energy: -166.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2043.948958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.948958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.948958 (E_RNA)
where:
Base-Base interactions energy: -1375.077
where: short stacking energy: -622.438
Base-Backbone interact. energy: -0.848
local terms energy: -668.023887
where:
bonds (distance) C4'-P energy: -108.914
bonds (distance) P-C4' energy: -138.741
flat angles C4'-P-C4' energy: -150.538
flat angles P-C4'-P energy: -103.873
tors. eta vs tors. theta energy: -165.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1873.012394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.012394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.012394 (E_RNA)
where:
Base-Base interactions energy: -1201.406
where: short stacking energy: -535.403
Base-Backbone interact. energy: -2.056
local terms energy: -669.550600
where:
bonds (distance) C4'-P energy: -131.088
bonds (distance) P-C4' energy: -141.169
flat angles C4'-P-C4' energy: -147.798
flat angles P-C4'-P energy: -98.873
tors. eta vs tors. theta energy: -150.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1792.099150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.099150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.099150 (E_RNA)
where:
Base-Base interactions energy: -1162.204
where: short stacking energy: -541.066
Base-Backbone interact. energy: 0.378
local terms energy: -630.273376
where:
bonds (distance) C4'-P energy: -116.745
bonds (distance) P-C4' energy: -148.081
flat angles C4'-P-C4' energy: -141.434
flat angles P-C4'-P energy: -61.701
tors. eta vs tors. theta energy: -162.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1426.494526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.494526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.494526 (E_RNA)
where:
Base-Base interactions energy: -876.796
where: short stacking energy: -424.914
Base-Backbone interact. energy: -0.417
local terms energy: -549.281856
where:
bonds (distance) C4'-P energy: -119.977
bonds (distance) P-C4' energy: -128.557
flat angles C4'-P-C4' energy: -140.569
flat angles P-C4'-P energy: -75.949
tors. eta vs tors. theta energy: -84.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1249.962940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.962940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.962940 (E_RNA)
where:
Base-Base interactions energy: -764.566
where: short stacking energy: -355.601
Base-Backbone interact. energy: 0.171
local terms energy: -485.567679
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -132.664
flat angles C4'-P-C4' energy: -105.598
flat angles P-C4'-P energy: -89.133
tors. eta vs tors. theta energy: -53.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1103.513215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.513215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.513215 (E_RNA)
where:
Base-Base interactions energy: -656.194
where: short stacking energy: -348.324
Base-Backbone interact. energy: -2.405
local terms energy: -444.914664
where:
bonds (distance) C4'-P energy: -119.226
bonds (distance) P-C4' energy: -111.678
flat angles C4'-P-C4' energy: -120.486
flat angles P-C4'-P energy: -59.514
tors. eta vs tors. theta energy: -34.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -701.568352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.568352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.568352 (E_RNA)
where:
Base-Base interactions energy: -327.146
where: short stacking energy: -199.414
Base-Backbone interact. energy: 0.766
local terms energy: -375.187853
where:
bonds (distance) C4'-P energy: -104.497
bonds (distance) P-C4' energy: -134.535
flat angles C4'-P-C4' energy: -96.328
flat angles P-C4'-P energy: -55.409
tors. eta vs tors. theta energy: 15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2455.724887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.724887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.724887 (E_RNA)
where:
Base-Base interactions energy: -1697.993
where: short stacking energy: -707.007
Base-Backbone interact. energy: -1.677
local terms energy: -756.054845
where:
bonds (distance) C4'-P energy: -151.336
bonds (distance) P-C4' energy: -134.089
flat angles C4'-P-C4' energy: -161.120
flat angles P-C4'-P energy: -118.269
tors. eta vs tors. theta energy: -191.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2301.019266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.019266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.019266 (E_RNA)
where:
Base-Base interactions energy: -1578.700
where: short stacking energy: -674.944
Base-Backbone interact. energy: -4.467
local terms energy: -717.852844
where:
bonds (distance) C4'-P energy: -136.569
bonds (distance) P-C4' energy: -143.537
flat angles C4'-P-C4' energy: -169.554
flat angles P-C4'-P energy: -100.743
tors. eta vs tors. theta energy: -167.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2143.667077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.667077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.667077 (E_RNA)
where:
Base-Base interactions energy: -1473.590
where: short stacking energy: -614.451
Base-Backbone interact. energy: -0.101
local terms energy: -669.976386
where:
bonds (distance) C4'-P energy: -139.808
bonds (distance) P-C4' energy: -132.350
flat angles C4'-P-C4' energy: -149.434
flat angles P-C4'-P energy: -88.074
tors. eta vs tors. theta energy: -160.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2092.079813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.079813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.079813 (E_RNA)
where:
Base-Base interactions energy: -1406.427
where: short stacking energy: -659.711
Base-Backbone interact. energy: -2.481
local terms energy: -683.171530
where:
bonds (distance) C4'-P energy: -127.977
bonds (distance) P-C4' energy: -122.807
flat angles C4'-P-C4' energy: -148.519
flat angles P-C4'-P energy: -93.496
tors. eta vs tors. theta energy: -190.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1857.550626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.550626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.550626 (E_RNA)
where:
Base-Base interactions energy: -1231.851
where: short stacking energy: -545.414
Base-Backbone interact. energy: -4.756
local terms energy: -620.943500
where:
bonds (distance) C4'-P energy: -131.983
bonds (distance) P-C4' energy: -121.147
flat angles C4'-P-C4' energy: -140.028
flat angles P-C4'-P energy: -85.043
tors. eta vs tors. theta energy: -142.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1842.091027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.091027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.091027 (E_RNA)
where:
Base-Base interactions energy: -1207.352
where: short stacking energy: -544.146
Base-Backbone interact. energy: -3.335
local terms energy: -631.404447
where:
bonds (distance) C4'-P energy: -137.026
bonds (distance) P-C4' energy: -121.705
flat angles C4'-P-C4' energy: -133.399
flat angles P-C4'-P energy: -96.206
tors. eta vs tors. theta energy: -143.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1498.527768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.527768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.527768 (E_RNA)
where:
Base-Base interactions energy: -942.520
where: short stacking energy: -449.027
Base-Backbone interact. energy: -1.363
local terms energy: -554.645056
where:
bonds (distance) C4'-P energy: -120.722
bonds (distance) P-C4' energy: -129.544
flat angles C4'-P-C4' energy: -137.003
flat angles P-C4'-P energy: -70.641
tors. eta vs tors. theta energy: -96.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1333.433640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.433640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.433640 (E_RNA)
where:
Base-Base interactions energy: -838.731
where: short stacking energy: -418.581
Base-Backbone interact. energy: 0.214
local terms energy: -494.916449
where:
bonds (distance) C4'-P energy: -114.396
bonds (distance) P-C4' energy: -134.284
flat angles C4'-P-C4' energy: -104.076
flat angles P-C4'-P energy: -66.893
tors. eta vs tors. theta energy: -75.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1071.785913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.785913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.785913 (E_RNA)
where:
Base-Base interactions energy: -601.557
where: short stacking energy: -323.469
Base-Backbone interact. energy: 2.104
local terms energy: -472.333393
where:
bonds (distance) C4'-P energy: -121.163
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -111.988
flat angles P-C4'-P energy: -81.404
tors. eta vs tors. theta energy: -39.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -712.079907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.079907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.079907 (E_RNA)
where:
Base-Base interactions energy: -347.706
where: short stacking energy: -219.938
Base-Backbone interact. energy: 2.758
local terms energy: -367.131847
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -114.783
flat angles C4'-P-C4' energy: -83.631
flat angles P-C4'-P energy: -49.245
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2427.856036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.856036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.856036 (E_RNA)
where:
Base-Base interactions energy: -1696.052
where: short stacking energy: -716.196
Base-Backbone interact. energy: -0.837
local terms energy: -730.967063
where:
bonds (distance) C4'-P energy: -140.420
bonds (distance) P-C4' energy: -135.729
flat angles C4'-P-C4' energy: -155.521
flat angles P-C4'-P energy: -112.905
tors. eta vs tors. theta energy: -186.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2378.699000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.699000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.699000 (E_RNA)
where:
Base-Base interactions energy: -1625.574
where: short stacking energy: -695.457
Base-Backbone interact. energy: -3.874
local terms energy: -749.250306
where:
bonds (distance) C4'-P energy: -146.241
bonds (distance) P-C4' energy: -153.518
flat angles C4'-P-C4' energy: -163.237
flat angles P-C4'-P energy: -105.345
tors. eta vs tors. theta energy: -180.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2257.754812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.754812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.754812 (E_RNA)
where:
Base-Base interactions energy: -1532.139
where: short stacking energy: -666.370
Base-Backbone interact. energy: -0.486
local terms energy: -725.129907
where:
bonds (distance) C4'-P energy: -116.807
bonds (distance) P-C4' energy: -147.412
flat angles C4'-P-C4' energy: -157.677
flat angles P-C4'-P energy: -116.950
tors. eta vs tors. theta energy: -186.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2095.863853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.863853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.863853 (E_RNA)
where:
Base-Base interactions energy: -1397.473
where: short stacking energy: -680.329
Base-Backbone interact. energy: -1.317
local terms energy: -697.074199
where:
bonds (distance) C4'-P energy: -124.836
bonds (distance) P-C4' energy: -128.764
flat angles C4'-P-C4' energy: -147.834
flat angles P-C4'-P energy: -97.570
tors. eta vs tors. theta energy: -198.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1911.643007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.643007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.643007 (E_RNA)
where:
Base-Base interactions energy: -1265.925
where: short stacking energy: -581.298
Base-Backbone interact. energy: -3.824
local terms energy: -641.894195
where:
bonds (distance) C4'-P energy: -125.723
bonds (distance) P-C4' energy: -120.140
flat angles C4'-P-C4' energy: -140.414
flat angles P-C4'-P energy: -109.497
tors. eta vs tors. theta energy: -146.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1786.865392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.865392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.865392 (E_RNA)
where:
Base-Base interactions energy: -1168.526
where: short stacking energy: -526.202
Base-Backbone interact. energy: 1.704
local terms energy: -620.043142
where:
bonds (distance) C4'-P energy: -118.855
bonds (distance) P-C4' energy: -141.038
flat angles C4'-P-C4' energy: -149.993
flat angles P-C4'-P energy: -88.237
tors. eta vs tors. theta energy: -121.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1524.954239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.954239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.954239 (E_RNA)
where:
Base-Base interactions energy: -980.013
where: short stacking energy: -484.808
Base-Backbone interact. energy: -0.189
local terms energy: -544.751448
where:
bonds (distance) C4'-P energy: -124.562
bonds (distance) P-C4' energy: -113.852
flat angles C4'-P-C4' energy: -116.775
flat angles P-C4'-P energy: -66.855
tors. eta vs tors. theta energy: -122.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1270.477202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.477202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.477202 (E_RNA)
where:
Base-Base interactions energy: -786.909
where: short stacking energy: -371.372
Base-Backbone interact. energy: -0.159
local terms energy: -483.408349
where:
bonds (distance) C4'-P energy: -115.716
bonds (distance) P-C4' energy: -104.840
flat angles C4'-P-C4' energy: -126.847
flat angles P-C4'-P energy: -76.588
tors. eta vs tors. theta energy: -59.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1063.706207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.706207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.706207 (E_RNA)
where:
Base-Base interactions energy: -637.207
where: short stacking energy: -318.893
Base-Backbone interact. energy: -2.581
local terms energy: -423.918377
where:
bonds (distance) C4'-P energy: -125.079
bonds (distance) P-C4' energy: -130.656
flat angles C4'-P-C4' energy: -98.492
flat angles P-C4'-P energy: -50.158
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -740.039757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.039757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.039757 (E_RNA)
where:
Base-Base interactions energy: -356.782
where: short stacking energy: -203.749
Base-Backbone interact. energy: 1.330
local terms energy: -384.587074
where:
bonds (distance) C4'-P energy: -113.821
bonds (distance) P-C4' energy: -115.182
flat angles C4'-P-C4' energy: -103.152
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2441.407636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.407636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.407636 (E_RNA)
where:
Base-Base interactions energy: -1698.631
where: short stacking energy: -713.046
Base-Backbone interact. energy: -3.076
local terms energy: -739.701057
where:
bonds (distance) C4'-P energy: -131.502
bonds (distance) P-C4' energy: -124.918
flat angles C4'-P-C4' energy: -170.018
flat angles P-C4'-P energy: -115.528
tors. eta vs tors. theta energy: -197.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2359.275945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.275945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.275945 (E_RNA)
where:
Base-Base interactions energy: -1648.573
where: short stacking energy: -707.877
Base-Backbone interact. energy: -3.330
local terms energy: -707.372917
where:
bonds (distance) C4'-P energy: -141.072
bonds (distance) P-C4' energy: -141.894
flat angles C4'-P-C4' energy: -154.700
flat angles P-C4'-P energy: -93.243
tors. eta vs tors. theta energy: -176.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2249.294916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.294916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.294916 (E_RNA)
where:
Base-Base interactions energy: -1529.221
where: short stacking energy: -655.036
Base-Backbone interact. energy: -4.182
local terms energy: -715.892123
where:
bonds (distance) C4'-P energy: -143.477
bonds (distance) P-C4' energy: -135.614
flat angles C4'-P-C4' energy: -152.521
flat angles P-C4'-P energy: -99.597
tors. eta vs tors. theta energy: -184.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2131.086209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.086209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.086209 (E_RNA)
where:
Base-Base interactions energy: -1395.312
where: short stacking energy: -648.992
Base-Backbone interact. energy: -2.424
local terms energy: -733.349729
where:
bonds (distance) C4'-P energy: -141.408
bonds (distance) P-C4' energy: -148.601
flat angles C4'-P-C4' energy: -161.889
flat angles P-C4'-P energy: -93.432
tors. eta vs tors. theta energy: -188.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1906.160001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.160001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.160001 (E_RNA)
where:
Base-Base interactions energy: -1281.855
where: short stacking energy: -525.216
Base-Backbone interact. energy: -0.044
local terms energy: -624.261795
where:
bonds (distance) C4'-P energy: -125.255
bonds (distance) P-C4' energy: -142.388
flat angles C4'-P-C4' energy: -129.997
flat angles P-C4'-P energy: -93.832
tors. eta vs tors. theta energy: -132.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1782.852567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.852567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.852567 (E_RNA)
where:
Base-Base interactions energy: -1176.507
where: short stacking energy: -487.698
Base-Backbone interact. energy: 0.198
local terms energy: -606.543203
where:
bonds (distance) C4'-P energy: -109.509
bonds (distance) P-C4' energy: -127.375
flat angles C4'-P-C4' energy: -150.808
flat angles P-C4'-P energy: -93.471
tors. eta vs tors. theta energy: -125.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1533.248418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.248418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.248418 (E_RNA)
where:
Base-Base interactions energy: -986.860
where: short stacking energy: -476.640
Base-Backbone interact. energy: -2.307
local terms energy: -544.081551
where:
bonds (distance) C4'-P energy: -120.840
bonds (distance) P-C4' energy: -126.953
flat angles C4'-P-C4' energy: -108.812
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -114.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1250.905930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.905930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.905930 (E_RNA)
where:
Base-Base interactions energy: -744.952
where: short stacking energy: -359.501
Base-Backbone interact. energy: -2.751
local terms energy: -503.203070
where:
bonds (distance) C4'-P energy: -117.537
bonds (distance) P-C4' energy: -129.936
flat angles C4'-P-C4' energy: -121.360
flat angles P-C4'-P energy: -76.353
tors. eta vs tors. theta energy: -58.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1027.691476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.691476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.691476 (E_RNA)
where:
Base-Base interactions energy: -582.087
where: short stacking energy: -319.797
Base-Backbone interact. energy: 0.950
local terms energy: -446.554902
where:
bonds (distance) C4'-P energy: -112.753
bonds (distance) P-C4' energy: -112.533
flat angles C4'-P-C4' energy: -111.043
flat angles P-C4'-P energy: -76.101
tors. eta vs tors. theta energy: -34.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -773.395218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.395218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.395218 (E_RNA)
where:
Base-Base interactions energy: -353.115
where: short stacking energy: -193.332
Base-Backbone interact. energy: 0.092
local terms energy: -420.372893
where:
bonds (distance) C4'-P energy: -116.255
bonds (distance) P-C4' energy: -133.474
flat angles C4'-P-C4' energy: -113.712
flat angles P-C4'-P energy: -52.739
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2468.334632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.334632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.334632 (E_RNA)
where:
Base-Base interactions energy: -1720.146
where: short stacking energy: -703.660
Base-Backbone interact. energy: -3.429
local terms energy: -744.759228
where:
bonds (distance) C4'-P energy: -146.665
bonds (distance) P-C4' energy: -145.568
flat angles C4'-P-C4' energy: -162.076
flat angles P-C4'-P energy: -102.946
tors. eta vs tors. theta energy: -187.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2336.182486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.182486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.182486 (E_RNA)
where:
Base-Base interactions energy: -1615.496
where: short stacking energy: -698.228
Base-Backbone interact. energy: -3.245
local terms energy: -717.441183
where:
bonds (distance) C4'-P energy: -150.347
bonds (distance) P-C4' energy: -133.520
flat angles C4'-P-C4' energy: -157.811
flat angles P-C4'-P energy: -96.422
tors. eta vs tors. theta energy: -179.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2223.300584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.300584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.300584 (E_RNA)
where:
Base-Base interactions energy: -1523.335
where: short stacking energy: -640.096
Base-Backbone interact. energy: -1.952
local terms energy: -698.013703
where:
bonds (distance) C4'-P energy: -145.832
bonds (distance) P-C4' energy: -127.528
flat angles C4'-P-C4' energy: -157.488
flat angles P-C4'-P energy: -99.372
tors. eta vs tors. theta energy: -167.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2084.363882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.363882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.363882 (E_RNA)
where:
Base-Base interactions energy: -1380.064
where: short stacking energy: -615.161
Base-Backbone interact. energy: -2.874
local terms energy: -701.425182
where:
bonds (distance) C4'-P energy: -128.414
bonds (distance) P-C4' energy: -144.158
flat angles C4'-P-C4' energy: -161.954
flat angles P-C4'-P energy: -85.966
tors. eta vs tors. theta energy: -180.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1876.253302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.253302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.253302 (E_RNA)
where:
Base-Base interactions energy: -1237.000
where: short stacking energy: -541.428
Base-Backbone interact. energy: -2.581
local terms energy: -636.671814
where:
bonds (distance) C4'-P energy: -132.777
bonds (distance) P-C4' energy: -136.366
flat angles C4'-P-C4' energy: -145.372
flat angles P-C4'-P energy: -83.219
tors. eta vs tors. theta energy: -138.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1783.534978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.534978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.534978 (E_RNA)
where:
Base-Base interactions energy: -1187.826
where: short stacking energy: -503.194
Base-Backbone interact. energy: -2.821
local terms energy: -592.888127
where:
bonds (distance) C4'-P energy: -106.877
bonds (distance) P-C4' energy: -133.895
flat angles C4'-P-C4' energy: -130.312
flat angles P-C4'-P energy: -85.881
tors. eta vs tors. theta energy: -135.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1476.151034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.151034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.151034 (E_RNA)
where:
Base-Base interactions energy: -939.570
where: short stacking energy: -436.412
Base-Backbone interact. energy: 1.390
local terms energy: -537.970706
where:
bonds (distance) C4'-P energy: -131.973
bonds (distance) P-C4' energy: -121.937
flat angles C4'-P-C4' energy: -118.543
flat angles P-C4'-P energy: -89.852
tors. eta vs tors. theta energy: -75.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1232.305887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.305887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.305887 (E_RNA)
where:
Base-Base interactions energy: -776.084
where: short stacking energy: -393.549
Base-Backbone interact. energy: 1.453
local terms energy: -457.673974
where:
bonds (distance) C4'-P energy: -99.442
bonds (distance) P-C4' energy: -119.619
flat angles C4'-P-C4' energy: -128.558
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -65.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1101.677512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.677512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.677512 (E_RNA)
where:
Base-Base interactions energy: -636.594
where: short stacking energy: -312.661
Base-Backbone interact. energy: 2.163
local terms energy: -467.245802
where:
bonds (distance) C4'-P energy: -118.874
bonds (distance) P-C4' energy: -111.819
flat angles C4'-P-C4' energy: -134.116
flat angles P-C4'-P energy: -65.587
tors. eta vs tors. theta energy: -36.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -749.645107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.645107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.645107 (E_RNA)
where:
Base-Base interactions energy: -340.288
where: short stacking energy: -226.870
Base-Backbone interact. energy: 3.868
local terms energy: -413.224811
where:
bonds (distance) C4'-P energy: -114.860
bonds (distance) P-C4' energy: -114.431
flat angles C4'-P-C4' energy: -113.728
flat angles P-C4'-P energy: -80.932
tors. eta vs tors. theta energy: 10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2485.527470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.527470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.527470 (E_RNA)
where:
Base-Base interactions energy: -1705.456
where: short stacking energy: -736.195
Base-Backbone interact. energy: -2.463
local terms energy: -777.607878
where:
bonds (distance) C4'-P energy: -163.634
bonds (distance) P-C4' energy: -152.278
flat angles C4'-P-C4' energy: -153.053
flat angles P-C4'-P energy: -106.474
tors. eta vs tors. theta energy: -202.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2296.493906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.493906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.493906 (E_RNA)
where:
Base-Base interactions energy: -1578.800
where: short stacking energy: -647.882
Base-Backbone interact. energy: -1.991
local terms energy: -715.703282
where:
bonds (distance) C4'-P energy: -142.406
bonds (distance) P-C4' energy: -139.164
flat angles C4'-P-C4' energy: -161.622
flat angles P-C4'-P energy: -102.826
tors. eta vs tors. theta energy: -169.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2277.141796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.141796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.141796 (E_RNA)
where:
Base-Base interactions energy: -1557.268
where: short stacking energy: -694.765
Base-Backbone interact. energy: -1.232
local terms energy: -718.641981
where:
bonds (distance) C4'-P energy: -128.984
bonds (distance) P-C4' energy: -152.172
flat angles C4'-P-C4' energy: -150.478
flat angles P-C4'-P energy: -99.295
tors. eta vs tors. theta energy: -187.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2074.621868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.621868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.621868 (E_RNA)
where:
Base-Base interactions energy: -1370.646
where: short stacking energy: -605.295
Base-Backbone interact. energy: -3.107
local terms energy: -700.869245
where:
bonds (distance) C4'-P energy: -144.551
bonds (distance) P-C4' energy: -139.834
flat angles C4'-P-C4' energy: -143.576
flat angles P-C4'-P energy: -92.570
tors. eta vs tors. theta energy: -180.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1935.475448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.475448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.475448 (E_RNA)
where:
Base-Base interactions energy: -1274.027
where: short stacking energy: -581.462
Base-Backbone interact. energy: -1.914
local terms energy: -659.534885
where:
bonds (distance) C4'-P energy: -142.254
bonds (distance) P-C4' energy: -125.992
flat angles C4'-P-C4' energy: -150.359
flat angles P-C4'-P energy: -95.283
tors. eta vs tors. theta energy: -145.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1759.140953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.140953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.140953 (E_RNA)
where:
Base-Base interactions energy: -1150.062
where: short stacking energy: -501.362
Base-Backbone interact. energy: -2.059
local terms energy: -607.019768
where:
bonds (distance) C4'-P energy: -133.536
bonds (distance) P-C4' energy: -127.532
flat angles C4'-P-C4' energy: -132.284
flat angles P-C4'-P energy: -87.174
tors. eta vs tors. theta energy: -126.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1482.662273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.662273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.662273 (E_RNA)
where:
Base-Base interactions energy: -920.281
where: short stacking energy: -421.070
Base-Backbone interact. energy: -0.281
local terms energy: -562.099950
where:
bonds (distance) C4'-P energy: -126.674
bonds (distance) P-C4' energy: -121.523
flat angles C4'-P-C4' energy: -138.092
flat angles P-C4'-P energy: -82.240
tors. eta vs tors. theta energy: -93.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1271.965707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.965707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.965707 (E_RNA)
where:
Base-Base interactions energy: -769.540
where: short stacking energy: -378.622
Base-Backbone interact. energy: -2.631
local terms energy: -499.795119
where:
bonds (distance) C4'-P energy: -115.830
bonds (distance) P-C4' energy: -125.357
flat angles C4'-P-C4' energy: -113.184
flat angles P-C4'-P energy: -82.770
tors. eta vs tors. theta energy: -62.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1078.819490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.819490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.819490 (E_RNA)
where:
Base-Base interactions energy: -643.322
where: short stacking energy: -332.037
Base-Backbone interact. energy: 0.656
local terms energy: -436.153356
where:
bonds (distance) C4'-P energy: -118.593
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -100.620
flat angles P-C4'-P energy: -55.629
tors. eta vs tors. theta energy: -45.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -706.022107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.022107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.022107 (E_RNA)
where:
Base-Base interactions energy: -329.758
where: short stacking energy: -203.488
Base-Backbone interact. energy: 1.853
local terms energy: -378.116353
where:
bonds (distance) C4'-P energy: -96.488
bonds (distance) P-C4' energy: -134.935
flat angles C4'-P-C4' energy: -113.702
flat angles P-C4'-P energy: -51.215
tors. eta vs tors. theta energy: 18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2480.505662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.505662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.505662 (E_RNA)
where:
Base-Base interactions energy: -1726.139
where: short stacking energy: -721.234
Base-Backbone interact. energy: -3.006
local terms energy: -751.360095
where:
bonds (distance) C4'-P energy: -140.245
bonds (distance) P-C4' energy: -147.063
flat angles C4'-P-C4' energy: -164.955
flat angles P-C4'-P energy: -104.568
tors. eta vs tors. theta energy: -194.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2292.120212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.120212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.120212 (E_RNA)
where:
Base-Base interactions energy: -1586.245
where: short stacking energy: -661.766
Base-Backbone interact. energy: -5.636
local terms energy: -700.238593
where:
bonds (distance) C4'-P energy: -130.934
bonds (distance) P-C4' energy: -130.638
flat angles C4'-P-C4' energy: -160.974
flat angles P-C4'-P energy: -103.398
tors. eta vs tors. theta energy: -174.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2231.760969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.760969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.760969 (E_RNA)
where:
Base-Base interactions energy: -1503.668
where: short stacking energy: -672.330
Base-Backbone interact. energy: -2.987
local terms energy: -725.105835
where:
bonds (distance) C4'-P energy: -133.190
bonds (distance) P-C4' energy: -141.879
flat angles C4'-P-C4' energy: -163.837
flat angles P-C4'-P energy: -108.409
tors. eta vs tors. theta energy: -177.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2093.532909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.532909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.532909 (E_RNA)
where:
Base-Base interactions energy: -1412.147
where: short stacking energy: -634.323
Base-Backbone interact. energy: -2.736
local terms energy: -678.649792
where:
bonds (distance) C4'-P energy: -122.528
bonds (distance) P-C4' energy: -130.393
flat angles C4'-P-C4' energy: -148.797
flat angles P-C4'-P energy: -97.246
tors. eta vs tors. theta energy: -179.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1914.156722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.156722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.156722 (E_RNA)
where:
Base-Base interactions energy: -1276.972
where: short stacking energy: -555.923
Base-Backbone interact. energy: 0.817
local terms energy: -638.001488
where:
bonds (distance) C4'-P energy: -139.153
bonds (distance) P-C4' energy: -124.211
flat angles C4'-P-C4' energy: -133.253
flat angles P-C4'-P energy: -90.723
tors. eta vs tors. theta energy: -150.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1766.444449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.444449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.444449 (E_RNA)
where:
Base-Base interactions energy: -1184.145
where: short stacking energy: -528.743
Base-Backbone interact. energy: -2.480
local terms energy: -579.819293
where:
bonds (distance) C4'-P energy: -116.357
bonds (distance) P-C4' energy: -112.759
flat angles C4'-P-C4' energy: -131.175
flat angles P-C4'-P energy: -94.379
tors. eta vs tors. theta energy: -125.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1516.129337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.129337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.129337 (E_RNA)
where:
Base-Base interactions energy: -950.864
where: short stacking energy: -439.993
Base-Backbone interact. energy: -1.957
local terms energy: -563.307970
where:
bonds (distance) C4'-P energy: -114.363
bonds (distance) P-C4' energy: -149.380
flat angles C4'-P-C4' energy: -129.022
flat angles P-C4'-P energy: -85.761
tors. eta vs tors. theta energy: -84.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1291.880131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.880131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.880131 (E_RNA)
where:
Base-Base interactions energy: -800.586
where: short stacking energy: -388.200
Base-Backbone interact. energy: -0.603
local terms energy: -490.691616
where:
bonds (distance) C4'-P energy: -103.750
bonds (distance) P-C4' energy: -107.168
flat angles C4'-P-C4' energy: -123.032
flat angles P-C4'-P energy: -86.332
tors. eta vs tors. theta energy: -70.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1044.312897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.312897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.312897 (E_RNA)
where:
Base-Base interactions energy: -586.148
where: short stacking energy: -298.094
Base-Backbone interact. energy: -1.368
local terms energy: -456.796634
where:
bonds (distance) C4'-P energy: -107.334
bonds (distance) P-C4' energy: -134.632
flat angles C4'-P-C4' energy: -108.197
flat angles P-C4'-P energy: -56.802
tors. eta vs tors. theta energy: -49.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -647.920013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.920013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.920013 (E_RNA)
where:
Base-Base interactions energy: -256.042
where: short stacking energy: -173.072
Base-Backbone interact. energy: -5.923
local terms energy: -385.955524
where:
bonds (distance) C4'-P energy: -112.267
bonds (distance) P-C4' energy: -121.652
flat angles C4'-P-C4' energy: -111.612
flat angles P-C4'-P energy: -84.550
tors. eta vs tors. theta energy: 44.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2490.226364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.226364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.226364 (E_RNA)
where:
Base-Base interactions energy: -1714.456
where: short stacking energy: -708.820
Base-Backbone interact. energy: -3.036
local terms energy: -772.734028
where:
bonds (distance) C4'-P energy: -148.775
bonds (distance) P-C4' energy: -160.880
flat angles C4'-P-C4' energy: -159.092
flat angles P-C4'-P energy: -93.622
tors. eta vs tors. theta energy: -210.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2305.783903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.783903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.783903 (E_RNA)
where:
Base-Base interactions energy: -1589.214
where: short stacking energy: -692.361
Base-Backbone interact. energy: -0.418
local terms energy: -716.151480
where:
bonds (distance) C4'-P energy: -132.332
bonds (distance) P-C4' energy: -139.218
flat angles C4'-P-C4' energy: -154.844
flat angles P-C4'-P energy: -107.372
tors. eta vs tors. theta energy: -182.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2244.372461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.372461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.372461 (E_RNA)
where:
Base-Base interactions energy: -1546.420
where: short stacking energy: -662.293
Base-Backbone interact. energy: -3.410
local terms energy: -694.542010
where:
bonds (distance) C4'-P energy: -123.990
bonds (distance) P-C4' energy: -125.380
flat angles C4'-P-C4' energy: -158.099
flat angles P-C4'-P energy: -111.842
tors. eta vs tors. theta energy: -175.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2067.380886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.380886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.380886 (E_RNA)
where:
Base-Base interactions energy: -1374.360
where: short stacking energy: -596.211
Base-Backbone interact. energy: 4.361
local terms energy: -697.381253
where:
bonds (distance) C4'-P energy: -145.866
bonds (distance) P-C4' energy: -136.940
flat angles C4'-P-C4' energy: -146.697
flat angles P-C4'-P energy: -99.900
tors. eta vs tors. theta energy: -167.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1927.446717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.446717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.446717 (E_RNA)
where:
Base-Base interactions energy: -1285.129
where: short stacking energy: -542.804
Base-Backbone interact. energy: -4.800
local terms energy: -637.517040
where:
bonds (distance) C4'-P energy: -120.483
bonds (distance) P-C4' energy: -140.306
flat angles C4'-P-C4' energy: -153.475
flat angles P-C4'-P energy: -88.546
tors. eta vs tors. theta energy: -134.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1779.970600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.970600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.970600 (E_RNA)
where:
Base-Base interactions energy: -1113.465
where: short stacking energy: -492.569
Base-Backbone interact. energy: -0.992
local terms energy: -665.513364
where:
bonds (distance) C4'-P energy: -132.792
bonds (distance) P-C4' energy: -142.371
flat angles C4'-P-C4' energy: -154.004
flat angles P-C4'-P energy: -94.183
tors. eta vs tors. theta energy: -142.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1536.328694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.328694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.328694 (E_RNA)
where:
Base-Base interactions energy: -980.270
where: short stacking energy: -470.167
Base-Backbone interact. energy: -3.618
local terms energy: -552.440242
where:
bonds (distance) C4'-P energy: -119.617
bonds (distance) P-C4' energy: -121.562
flat angles C4'-P-C4' energy: -140.114
flat angles P-C4'-P energy: -76.482
tors. eta vs tors. theta energy: -94.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1266.023750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.023750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.023750 (E_RNA)
where:
Base-Base interactions energy: -770.144
where: short stacking energy: -329.977
Base-Backbone interact. energy: 11.554
local terms energy: -507.433944
where:
bonds (distance) C4'-P energy: -139.220
bonds (distance) P-C4' energy: -115.262
flat angles C4'-P-C4' energy: -120.212
flat angles P-C4'-P energy: -80.748
tors. eta vs tors. theta energy: -51.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1061.256495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.256495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.256495 (E_RNA)
where:
Base-Base interactions energy: -622.816
where: short stacking energy: -296.787
Base-Backbone interact. energy: 0.107
local terms energy: -438.548126
where:
bonds (distance) C4'-P energy: -112.719
bonds (distance) P-C4' energy: -134.521
flat angles C4'-P-C4' energy: -99.152
flat angles P-C4'-P energy: -56.410
tors. eta vs tors. theta energy: -35.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -731.234883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.234883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.234883 (E_RNA)
where:
Base-Base interactions energy: -357.220
where: short stacking energy: -226.889
Base-Backbone interact. energy: 6.345
local terms energy: -380.359273
where:
bonds (distance) C4'-P energy: -113.181
bonds (distance) P-C4' energy: -108.696
flat angles C4'-P-C4' energy: -101.967
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2494.229776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.229776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.229776 (E_RNA)
where:
Base-Base interactions energy: -1725.825
where: short stacking energy: -701.230
Base-Backbone interact. energy: -0.854
local terms energy: -767.550831
where:
bonds (distance) C4'-P energy: -139.152
bonds (distance) P-C4' energy: -152.056
flat angles C4'-P-C4' energy: -161.294
flat angles P-C4'-P energy: -116.996
tors. eta vs tors. theta energy: -198.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2320.875018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.875018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.875018 (E_RNA)
where:
Base-Base interactions energy: -1571.541
where: short stacking energy: -688.294
Base-Backbone interact. energy: -3.518
local terms energy: -745.816391
where:
bonds (distance) C4'-P energy: -141.290
bonds (distance) P-C4' energy: -143.820
flat angles C4'-P-C4' energy: -159.651
flat angles P-C4'-P energy: -107.105
tors. eta vs tors. theta energy: -193.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2260.623754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.623754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.623754 (E_RNA)
where:
Base-Base interactions energy: -1553.971
where: short stacking energy: -650.832
Base-Backbone interact. energy: -1.634
local terms energy: -705.018746
where:
bonds (distance) C4'-P energy: -137.095
bonds (distance) P-C4' energy: -140.017
flat angles C4'-P-C4' energy: -157.362
flat angles P-C4'-P energy: -92.763
tors. eta vs tors. theta energy: -177.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2093.738915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.738915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.738915 (E_RNA)
where:
Base-Base interactions energy: -1396.717
where: short stacking energy: -643.687
Base-Backbone interact. energy: -1.129
local terms energy: -695.892573
where:
bonds (distance) C4'-P energy: -129.244
bonds (distance) P-C4' energy: -140.655
flat angles C4'-P-C4' energy: -155.875
flat angles P-C4'-P energy: -97.951
tors. eta vs tors. theta energy: -172.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1976.493888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.493888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.493888 (E_RNA)
where:
Base-Base interactions energy: -1349.215
where: short stacking energy: -573.113
Base-Backbone interact. energy: 1.082
local terms energy: -628.360217
where:
bonds (distance) C4'-P energy: -142.412
bonds (distance) P-C4' energy: -138.628
flat angles C4'-P-C4' energy: -128.488
flat angles P-C4'-P energy: -71.260
tors. eta vs tors. theta energy: -147.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1783.790847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.790847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.790847 (E_RNA)
where:
Base-Base interactions energy: -1174.036
where: short stacking energy: -517.858
Base-Backbone interact. energy: -3.908
local terms energy: -605.847373
where:
bonds (distance) C4'-P energy: -120.291
bonds (distance) P-C4' energy: -118.744
flat angles C4'-P-C4' energy: -146.770
flat angles P-C4'-P energy: -95.341
tors. eta vs tors. theta energy: -124.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1534.566121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.566121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.566121 (E_RNA)
where:
Base-Base interactions energy: -964.302
where: short stacking energy: -441.389
Base-Backbone interact. energy: -4.913
local terms energy: -565.351294
where:
bonds (distance) C4'-P energy: -109.676
bonds (distance) P-C4' energy: -135.039
flat angles C4'-P-C4' energy: -139.324
flat angles P-C4'-P energy: -88.291
tors. eta vs tors. theta energy: -93.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1250.010566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.010566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.010566 (E_RNA)
where:
Base-Base interactions energy: -762.059
where: short stacking energy: -342.925
Base-Backbone interact. energy: -2.701
local terms energy: -485.249999
where:
bonds (distance) C4'-P energy: -104.131
bonds (distance) P-C4' energy: -132.094
flat angles C4'-P-C4' energy: -126.136
flat angles P-C4'-P energy: -74.608
tors. eta vs tors. theta energy: -48.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1130.391742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.391742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.391742 (E_RNA)
where:
Base-Base interactions energy: -672.544
where: short stacking energy: -333.744
Base-Backbone interact. energy: 1.914
local terms energy: -459.761314
where:
bonds (distance) C4'-P energy: -127.016
bonds (distance) P-C4' energy: -106.126
flat angles C4'-P-C4' energy: -109.158
flat angles P-C4'-P energy: -76.303
tors. eta vs tors. theta energy: -41.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -781.784665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.784665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.784665 (E_RNA)
where:
Base-Base interactions energy: -375.237
where: short stacking energy: -227.582
Base-Backbone interact. energy: -1.585
local terms energy: -404.963117
where:
bonds (distance) C4'-P energy: -126.331
bonds (distance) P-C4' energy: -132.037
flat angles C4'-P-C4' energy: -105.359
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: 13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2474.394003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.394003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.394003 (E_RNA)
where:
Base-Base interactions energy: -1723.038
where: short stacking energy: -707.325
Base-Backbone interact. energy: -2.569
local terms energy: -748.787089
where:
bonds (distance) C4'-P energy: -149.434
bonds (distance) P-C4' energy: -137.120
flat angles C4'-P-C4' energy: -162.649
flat angles P-C4'-P energy: -110.349
tors. eta vs tors. theta energy: -189.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2320.976124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.976124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.976124 (E_RNA)
where:
Base-Base interactions energy: -1579.402
where: short stacking energy: -674.672
Base-Backbone interact. energy: -2.628
local terms energy: -738.946416
where:
bonds (distance) C4'-P energy: -143.463
bonds (distance) P-C4' energy: -155.181
flat angles C4'-P-C4' energy: -165.032
flat angles P-C4'-P energy: -96.455
tors. eta vs tors. theta energy: -178.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2274.571409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.571409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.571409 (E_RNA)
where:
Base-Base interactions energy: -1546.764
where: short stacking energy: -666.676
Base-Backbone interact. energy: -2.786
local terms energy: -725.020520
where:
bonds (distance) C4'-P energy: -126.641
bonds (distance) P-C4' energy: -150.613
flat angles C4'-P-C4' energy: -155.944
flat angles P-C4'-P energy: -113.273
tors. eta vs tors. theta energy: -178.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2057.856004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.856004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.856004 (E_RNA)
where:
Base-Base interactions energy: -1374.319
where: short stacking energy: -598.884
Base-Backbone interact. energy: 2.109
local terms energy: -685.645079
where:
bonds (distance) C4'-P energy: -116.830
bonds (distance) P-C4' energy: -143.904
flat angles C4'-P-C4' energy: -154.684
flat angles P-C4'-P energy: -97.671
tors. eta vs tors. theta energy: -172.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1983.489048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.489048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.489048 (E_RNA)
where:
Base-Base interactions energy: -1315.325
where: short stacking energy: -605.168
Base-Backbone interact. energy: -2.437
local terms energy: -665.727260
where:
bonds (distance) C4'-P energy: -117.208
bonds (distance) P-C4' energy: -149.800
flat angles C4'-P-C4' energy: -142.204
flat angles P-C4'-P energy: -102.931
tors. eta vs tors. theta energy: -153.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1757.110780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.110780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.110780 (E_RNA)
where:
Base-Base interactions energy: -1143.770
where: short stacking energy: -517.857
Base-Backbone interact. energy: -4.021
local terms energy: -609.319340
where:
bonds (distance) C4'-P energy: -116.278
bonds (distance) P-C4' energy: -133.080
flat angles C4'-P-C4' energy: -149.736
flat angles P-C4'-P energy: -80.772
tors. eta vs tors. theta energy: -129.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1474.418984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.418984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.418984 (E_RNA)
where:
Base-Base interactions energy: -910.010
where: short stacking energy: -406.350
Base-Backbone interact. energy: -0.563
local terms energy: -563.845641
where:
bonds (distance) C4'-P energy: -125.350
bonds (distance) P-C4' energy: -139.227
flat angles C4'-P-C4' energy: -131.472
flat angles P-C4'-P energy: -88.351
tors. eta vs tors. theta energy: -79.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1248.122420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.122420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.122420 (E_RNA)
where:
Base-Base interactions energy: -776.659
where: short stacking energy: -374.635
Base-Backbone interact. energy: 5.596
local terms energy: -477.058952
where:
bonds (distance) C4'-P energy: -125.238
bonds (distance) P-C4' energy: -121.713
flat angles C4'-P-C4' energy: -98.495
flat angles P-C4'-P energy: -71.601
tors. eta vs tors. theta energy: -60.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1119.592200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.592200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.592200 (E_RNA)
where:
Base-Base interactions energy: -660.905
where: short stacking energy: -323.055
Base-Backbone interact. energy: -3.826
local terms energy: -454.861450
where:
bonds (distance) C4'-P energy: -108.555
bonds (distance) P-C4' energy: -120.851
flat angles C4'-P-C4' energy: -121.672
flat angles P-C4'-P energy: -63.845
tors. eta vs tors. theta energy: -39.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -760.813655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.813655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.813655 (E_RNA)
where:
Base-Base interactions energy: -353.528
where: short stacking energy: -205.580
Base-Backbone interact. energy: -0.860
local terms energy: -406.426013
where:
bonds (distance) C4'-P energy: -124.565
bonds (distance) P-C4' energy: -128.921
flat angles C4'-P-C4' energy: -99.231
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2447.575317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.575317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.575317 (E_RNA)
where:
Base-Base interactions energy: -1691.190
where: short stacking energy: -714.571
Base-Backbone interact. energy: -1.625
local terms energy: -754.760454
where:
bonds (distance) C4'-P energy: -139.493
bonds (distance) P-C4' energy: -160.163
flat angles C4'-P-C4' energy: -151.153
flat angles P-C4'-P energy: -111.069
tors. eta vs tors. theta energy: -192.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2290.473199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.473199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.473199 (E_RNA)
where:
Base-Base interactions energy: -1591.230
where: short stacking energy: -666.019
Base-Backbone interact. energy: -2.000
local terms energy: -697.243321
where:
bonds (distance) C4'-P energy: -134.142
bonds (distance) P-C4' energy: -138.422
flat angles C4'-P-C4' energy: -154.921
flat angles P-C4'-P energy: -91.766
tors. eta vs tors. theta energy: -177.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2245.364313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.364313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.364313 (E_RNA)
where:
Base-Base interactions energy: -1534.729
where: short stacking energy: -678.277
Base-Backbone interact. energy: -1.996
local terms energy: -708.639754
where:
bonds (distance) C4'-P energy: -136.039
bonds (distance) P-C4' energy: -141.986
flat angles C4'-P-C4' energy: -153.922
flat angles P-C4'-P energy: -96.204
tors. eta vs tors. theta energy: -180.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2076.390125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.390125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.390125 (E_RNA)
where:
Base-Base interactions energy: -1395.642
where: short stacking energy: -630.009
Base-Backbone interact. energy: -4.120
local terms energy: -676.629060
where:
bonds (distance) C4'-P energy: -121.003
bonds (distance) P-C4' energy: -130.370
flat angles C4'-P-C4' energy: -159.789
flat angles P-C4'-P energy: -105.345
tors. eta vs tors. theta energy: -160.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1951.019727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.019727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.019727 (E_RNA)
where:
Base-Base interactions energy: -1302.884
where: short stacking energy: -568.256
Base-Backbone interact. energy: -0.301
local terms energy: -647.835005
where:
bonds (distance) C4'-P energy: -129.507
bonds (distance) P-C4' energy: -133.548
flat angles C4'-P-C4' energy: -131.562
flat angles P-C4'-P energy: -98.629
tors. eta vs tors. theta energy: -154.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1754.896583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.896583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.896583 (E_RNA)
where:
Base-Base interactions energy: -1124.567
where: short stacking energy: -511.226
Base-Backbone interact. energy: -3.828
local terms energy: -626.501626
where:
bonds (distance) C4'-P energy: -112.887
bonds (distance) P-C4' energy: -129.315
flat angles C4'-P-C4' energy: -148.417
flat angles P-C4'-P energy: -94.390
tors. eta vs tors. theta energy: -141.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1480.730230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.730230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.730230 (E_RNA)
where:
Base-Base interactions energy: -940.672
where: short stacking energy: -433.324
Base-Backbone interact. energy: 0.555
local terms energy: -540.613109
where:
bonds (distance) C4'-P energy: -120.899
bonds (distance) P-C4' energy: -119.153
flat angles C4'-P-C4' energy: -123.425
flat angles P-C4'-P energy: -73.646
tors. eta vs tors. theta energy: -103.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1242.353884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.353884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.353884 (E_RNA)
where:
Base-Base interactions energy: -771.584
where: short stacking energy: -347.495
Base-Backbone interact. energy: -1.552
local terms energy: -469.218151
where:
bonds (distance) C4'-P energy: -119.487
bonds (distance) P-C4' energy: -127.701
flat angles C4'-P-C4' energy: -100.942
flat angles P-C4'-P energy: -62.463
tors. eta vs tors. theta energy: -58.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1174.926049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.926049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.926049 (E_RNA)
where:
Base-Base interactions energy: -691.705
where: short stacking energy: -338.515
Base-Backbone interact. energy: 2.031
local terms energy: -485.252353
where:
bonds (distance) C4'-P energy: -121.073
bonds (distance) P-C4' energy: -138.022
flat angles C4'-P-C4' energy: -106.823
flat angles P-C4'-P energy: -68.347
tors. eta vs tors. theta energy: -50.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -793.473474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.473474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.473474 (E_RNA)
where:
Base-Base interactions energy: -399.563
where: short stacking energy: -215.058
Base-Backbone interact. energy: -3.066
local terms energy: -390.844156
where:
bonds (distance) C4'-P energy: -101.807
bonds (distance) P-C4' energy: -108.510
flat angles C4'-P-C4' energy: -104.982
flat angles P-C4'-P energy: -69.564
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2448.453638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.453638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.453638 (E_RNA)
where:
Base-Base interactions energy: -1688.494
where: short stacking energy: -701.553
Base-Backbone interact. energy: -3.601
local terms energy: -756.358293
where:
bonds (distance) C4'-P energy: -153.133
bonds (distance) P-C4' energy: -142.216
flat angles C4'-P-C4' energy: -156.704
flat angles P-C4'-P energy: -114.471
tors. eta vs tors. theta energy: -189.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2332.212380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.212380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.212380 (E_RNA)
where:
Base-Base interactions energy: -1590.328
where: short stacking energy: -706.705
Base-Backbone interact. energy: -0.365
local terms energy: -741.518798
where:
bonds (distance) C4'-P energy: -126.603
bonds (distance) P-C4' energy: -149.088
flat angles C4'-P-C4' energy: -151.856
flat angles P-C4'-P energy: -115.390
tors. eta vs tors. theta energy: -198.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2238.599229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.599229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.599229 (E_RNA)
where:
Base-Base interactions energy: -1534.485
where: short stacking energy: -642.619
Base-Backbone interact. energy: -2.752
local terms energy: -701.362307
where:
bonds (distance) C4'-P energy: -126.952
bonds (distance) P-C4' energy: -139.165
flat angles C4'-P-C4' energy: -153.484
flat angles P-C4'-P energy: -96.033
tors. eta vs tors. theta energy: -185.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2077.594588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.594588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.594588 (E_RNA)
where:
Base-Base interactions energy: -1397.882
where: short stacking energy: -637.695
Base-Backbone interact. energy: -0.192
local terms energy: -679.520487
where:
bonds (distance) C4'-P energy: -121.222
bonds (distance) P-C4' energy: -130.174
flat angles C4'-P-C4' energy: -156.415
flat angles P-C4'-P energy: -100.823
tors. eta vs tors. theta energy: -170.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1918.168716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.168716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.168716 (E_RNA)
where:
Base-Base interactions energy: -1246.563
where: short stacking energy: -576.708
Base-Backbone interact. energy: -4.315
local terms energy: -667.290660
where:
bonds (distance) C4'-P energy: -132.540
bonds (distance) P-C4' energy: -141.876
flat angles C4'-P-C4' energy: -131.729
flat angles P-C4'-P energy: -113.912
tors. eta vs tors. theta energy: -147.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1734.997481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.997481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.997481 (E_RNA)
where:
Base-Base interactions energy: -1156.458
where: short stacking energy: -504.702
Base-Backbone interact. energy: -2.938
local terms energy: -575.600730
where:
bonds (distance) C4'-P energy: -127.264
bonds (distance) P-C4' energy: -109.106
flat angles C4'-P-C4' energy: -134.729
flat angles P-C4'-P energy: -82.158
tors. eta vs tors. theta energy: -122.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1463.483533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.483533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.483533 (E_RNA)
where:
Base-Base interactions energy: -903.323
where: short stacking energy: -447.299
Base-Backbone interact. energy: 0.336
local terms energy: -560.496109
where:
bonds (distance) C4'-P energy: -128.332
bonds (distance) P-C4' energy: -121.125
flat angles C4'-P-C4' energy: -116.157
flat angles P-C4'-P energy: -90.513
tors. eta vs tors. theta energy: -104.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1229.878808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.878808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.878808 (E_RNA)
where:
Base-Base interactions energy: -775.717
where: short stacking energy: -381.764
Base-Backbone interact. energy: -1.735
local terms energy: -452.427082
where:
bonds (distance) C4'-P energy: -127.176
bonds (distance) P-C4' energy: -119.513
flat angles C4'-P-C4' energy: -99.898
flat angles P-C4'-P energy: -45.544
tors. eta vs tors. theta energy: -60.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1194.494584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.494584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.494584 (E_RNA)
where:
Base-Base interactions energy: -755.890
where: short stacking energy: -366.912
Base-Backbone interact. energy: -2.202
local terms energy: -436.402982
where:
bonds (distance) C4'-P energy: -118.956
bonds (distance) P-C4' energy: -112.451
flat angles C4'-P-C4' energy: -97.918
flat angles P-C4'-P energy: -54.540
tors. eta vs tors. theta energy: -52.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -827.988176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.988176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.988176 (E_RNA)
where:
Base-Base interactions energy: -454.023
where: short stacking energy: -266.397
Base-Backbone interact. energy: -1.818
local terms energy: -372.147232
where:
bonds (distance) C4'-P energy: -110.479
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -93.034
flat angles P-C4'-P energy: -59.022
tors. eta vs tors. theta energy: 0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2465.513114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.513114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.513114 (E_RNA)
where:
Base-Base interactions energy: -1706.610
where: short stacking energy: -691.560
Base-Backbone interact. energy: -4.028
local terms energy: -754.875373
where:
bonds (distance) C4'-P energy: -161.138
bonds (distance) P-C4' energy: -151.761
flat angles C4'-P-C4' energy: -154.314
flat angles P-C4'-P energy: -102.090
tors. eta vs tors. theta energy: -185.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2309.913311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.913311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.913311 (E_RNA)
where:
Base-Base interactions energy: -1582.324
where: short stacking energy: -654.895
Base-Backbone interact. energy: -6.120
local terms energy: -721.469085
where:
bonds (distance) C4'-P energy: -138.069
bonds (distance) P-C4' energy: -137.690
flat angles C4'-P-C4' energy: -162.312
flat angles P-C4'-P energy: -98.165
tors. eta vs tors. theta energy: -185.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2216.680531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.680531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.680531 (E_RNA)
where:
Base-Base interactions energy: -1518.548
where: short stacking energy: -646.767
Base-Backbone interact. energy: 0.121
local terms energy: -698.252996
where:
bonds (distance) C4'-P energy: -130.643
bonds (distance) P-C4' energy: -127.227
flat angles C4'-P-C4' energy: -166.457
flat angles P-C4'-P energy: -104.695
tors. eta vs tors. theta energy: -169.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2104.461358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.461358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.461358 (E_RNA)
where:
Base-Base interactions energy: -1428.430
where: short stacking energy: -591.463
Base-Backbone interact. energy: -0.858
local terms energy: -675.172694
where:
bonds (distance) C4'-P energy: -134.480
bonds (distance) P-C4' energy: -133.706
flat angles C4'-P-C4' energy: -150.879
flat angles P-C4'-P energy: -101.970
tors. eta vs tors. theta energy: -154.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1938.475695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.475695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.475695 (E_RNA)
where:
Base-Base interactions energy: -1264.909
where: short stacking energy: -586.283
Base-Backbone interact. energy: -0.449
local terms energy: -673.117275
where:
bonds (distance) C4'-P energy: -149.209
bonds (distance) P-C4' energy: -130.291
flat angles C4'-P-C4' energy: -132.187
flat angles P-C4'-P energy: -111.042
tors. eta vs tors. theta energy: -150.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1640.275257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.275257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.275257 (E_RNA)
where:
Base-Base interactions energy: -1066.409
where: short stacking energy: -474.870
Base-Backbone interact. energy: 2.035
local terms energy: -575.902086
where:
bonds (distance) C4'-P energy: -118.410
bonds (distance) P-C4' energy: -143.997
flat angles C4'-P-C4' energy: -126.590
flat angles P-C4'-P energy: -75.354
tors. eta vs tors. theta energy: -111.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1401.951078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.951078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.951078 (E_RNA)
where:
Base-Base interactions energy: -885.238
where: short stacking energy: -422.478
Base-Backbone interact. energy: 1.786
local terms energy: -518.499128
where:
bonds (distance) C4'-P energy: -118.550
bonds (distance) P-C4' energy: -112.605
flat angles C4'-P-C4' energy: -130.003
flat angles P-C4'-P energy: -74.058
tors. eta vs tors. theta energy: -83.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1231.440026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.440026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.440026 (E_RNA)
where:
Base-Base interactions energy: -746.540
where: short stacking energy: -334.136
Base-Backbone interact. energy: 4.348
local terms energy: -489.247192
where:
bonds (distance) C4'-P energy: -122.801
bonds (distance) P-C4' energy: -130.852
flat angles C4'-P-C4' energy: -121.060
flat angles P-C4'-P energy: -68.840
tors. eta vs tors. theta energy: -45.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1207.987061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.987061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.987061 (E_RNA)
where:
Base-Base interactions energy: -745.468
where: short stacking energy: -377.759
Base-Backbone interact. energy: 0.124
local terms energy: -462.642522
where:
bonds (distance) C4'-P energy: -115.825
bonds (distance) P-C4' energy: -115.013
flat angles C4'-P-C4' energy: -110.075
flat angles P-C4'-P energy: -66.470
tors. eta vs tors. theta energy: -55.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -793.970224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.970224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.970224 (E_RNA)
where:
Base-Base interactions energy: -432.351
where: short stacking energy: -245.080
Base-Backbone interact. energy: 1.877
local terms energy: -363.496135
where:
bonds (distance) C4'-P energy: -101.865
bonds (distance) P-C4' energy: -117.072
flat angles C4'-P-C4' energy: -98.520
flat angles P-C4'-P energy: -48.181
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2459.351052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.351052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.351052 (E_RNA)
where:
Base-Base interactions energy: -1713.280
where: short stacking energy: -712.199
Base-Backbone interact. energy: -0.373
local terms energy: -745.698013
where:
bonds (distance) C4'-P energy: -123.921
bonds (distance) P-C4' energy: -149.696
flat angles C4'-P-C4' energy: -165.798
flat angles P-C4'-P energy: -114.318
tors. eta vs tors. theta energy: -191.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2343.544202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.544202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.544202 (E_RNA)
where:
Base-Base interactions energy: -1605.044
where: short stacking energy: -672.236
Base-Backbone interact. energy: 2.083
local terms energy: -740.583880
where:
bonds (distance) C4'-P energy: -133.967
bonds (distance) P-C4' energy: -147.010
flat angles C4'-P-C4' energy: -164.651
flat angles P-C4'-P energy: -97.221
tors. eta vs tors. theta energy: -197.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2224.101671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.101671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.101671 (E_RNA)
where:
Base-Base interactions energy: -1524.524
where: short stacking energy: -650.056
Base-Backbone interact. energy: -3.848
local terms energy: -695.729888
where:
bonds (distance) C4'-P energy: -131.107
bonds (distance) P-C4' energy: -155.526
flat angles C4'-P-C4' energy: -151.766
flat angles P-C4'-P energy: -93.049
tors. eta vs tors. theta energy: -164.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2132.855967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.855967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.855967 (E_RNA)
where:
Base-Base interactions energy: -1428.575
where: short stacking energy: -621.231
Base-Backbone interact. energy: -4.189
local terms energy: -700.091811
where:
bonds (distance) C4'-P energy: -121.746
bonds (distance) P-C4' energy: -156.963
flat angles C4'-P-C4' energy: -152.355
flat angles P-C4'-P energy: -90.973
tors. eta vs tors. theta energy: -178.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1950.239470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.239470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.239470 (E_RNA)
where:
Base-Base interactions energy: -1264.430
where: short stacking energy: -556.017
Base-Backbone interact. energy: -1.721
local terms energy: -684.088588
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -148.632
flat angles C4'-P-C4' energy: -152.359
flat angles P-C4'-P energy: -90.436
tors. eta vs tors. theta energy: -159.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1740.219971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.219971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.219971 (E_RNA)
where:
Base-Base interactions energy: -1128.530
where: short stacking energy: -493.201
Base-Backbone interact. energy: -5.136
local terms energy: -606.553314
where:
bonds (distance) C4'-P energy: -113.170
bonds (distance) P-C4' energy: -144.340
flat angles C4'-P-C4' energy: -152.052
flat angles P-C4'-P energy: -77.849
tors. eta vs tors. theta energy: -119.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1427.566906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.566906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.566906 (E_RNA)
where:
Base-Base interactions energy: -886.215
where: short stacking energy: -382.194
Base-Backbone interact. energy: 3.078
local terms energy: -544.430191
where:
bonds (distance) C4'-P energy: -131.616
bonds (distance) P-C4' energy: -119.418
flat angles C4'-P-C4' energy: -123.751
flat angles P-C4'-P energy: -85.894
tors. eta vs tors. theta energy: -83.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1243.684641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.684641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.684641 (E_RNA)
where:
Base-Base interactions energy: -730.142
where: short stacking energy: -327.911
Base-Backbone interact. energy: -2.002
local terms energy: -511.541420
where:
bonds (distance) C4'-P energy: -119.441
bonds (distance) P-C4' energy: -131.982
flat angles C4'-P-C4' energy: -123.477
flat angles P-C4'-P energy: -81.003
tors. eta vs tors. theta energy: -55.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1182.607029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.607029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.607029 (E_RNA)
where:
Base-Base interactions energy: -698.835
where: short stacking energy: -321.661
Base-Backbone interact. energy: -0.589
local terms energy: -483.182831
where:
bonds (distance) C4'-P energy: -127.145
bonds (distance) P-C4' energy: -116.681
flat angles C4'-P-C4' energy: -126.625
flat angles P-C4'-P energy: -74.881
tors. eta vs tors. theta energy: -37.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -832.868449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.868449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.868449 (E_RNA)
where:
Base-Base interactions energy: -430.775
where: short stacking energy: -226.617
Base-Backbone interact. energy: 2.373
local terms energy: -404.466618
where:
bonds (distance) C4'-P energy: -100.312
bonds (distance) P-C4' energy: -107.924
flat angles C4'-P-C4' energy: -123.298
flat angles P-C4'-P energy: -71.824
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2459.773731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.773731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.773731 (E_RNA)
where:
Base-Base interactions energy: -1689.286
where: short stacking energy: -727.148
Base-Backbone interact. energy: 0.396
local terms energy: -770.884144
where:
bonds (distance) C4'-P energy: -136.804
bonds (distance) P-C4' energy: -142.366
flat angles C4'-P-C4' energy: -172.970
flat angles P-C4'-P energy: -122.083
tors. eta vs tors. theta energy: -196.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2357.784089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.784089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.784089 (E_RNA)
where:
Base-Base interactions energy: -1590.610
where: short stacking energy: -695.530
Base-Backbone interact. energy: -2.109
local terms energy: -765.065785
where:
bonds (distance) C4'-P energy: -149.760
bonds (distance) P-C4' energy: -147.826
flat angles C4'-P-C4' energy: -160.477
flat angles P-C4'-P energy: -108.495
tors. eta vs tors. theta energy: -198.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2252.480194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.480194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.480194 (E_RNA)
where:
Base-Base interactions energy: -1555.718
where: short stacking energy: -662.136
Base-Backbone interact. energy: -1.810
local terms energy: -694.952426
where:
bonds (distance) C4'-P energy: -137.261
bonds (distance) P-C4' energy: -149.588
flat angles C4'-P-C4' energy: -145.095
flat angles P-C4'-P energy: -90.649
tors. eta vs tors. theta energy: -172.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2112.960783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.960783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.960783 (E_RNA)
where:
Base-Base interactions energy: -1415.709
where: short stacking energy: -624.847
Base-Backbone interact. energy: -2.950
local terms energy: -694.301928
where:
bonds (distance) C4'-P energy: -137.853
bonds (distance) P-C4' energy: -134.292
flat angles C4'-P-C4' energy: -157.804
flat angles P-C4'-P energy: -83.866
tors. eta vs tors. theta energy: -180.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1935.095730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.095730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.095730 (E_RNA)
where:
Base-Base interactions energy: -1299.538
where: short stacking energy: -587.794
Base-Backbone interact. energy: -1.906
local terms energy: -633.651033
where:
bonds (distance) C4'-P energy: -118.998
bonds (distance) P-C4' energy: -126.307
flat angles C4'-P-C4' energy: -153.298
flat angles P-C4'-P energy: -86.501
tors. eta vs tors. theta energy: -148.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1689.403029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.403029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.403029 (E_RNA)
where:
Base-Base interactions energy: -1071.582
where: short stacking energy: -485.239
Base-Backbone interact. energy: -1.954
local terms energy: -615.866671
where:
bonds (distance) C4'-P energy: -128.753
bonds (distance) P-C4' energy: -125.934
flat angles C4'-P-C4' energy: -152.739
flat angles P-C4'-P energy: -90.781
tors. eta vs tors. theta energy: -117.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1475.763407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.763407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.763407 (E_RNA)
where:
Base-Base interactions energy: -928.765
where: short stacking energy: -447.516
Base-Backbone interact. energy: -0.014
local terms energy: -546.984182
where:
bonds (distance) C4'-P energy: -136.954
bonds (distance) P-C4' energy: -127.736
flat angles C4'-P-C4' energy: -111.607
flat angles P-C4'-P energy: -80.742
tors. eta vs tors. theta energy: -89.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1236.292840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.292840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.292840 (E_RNA)
where:
Base-Base interactions energy: -751.360
where: short stacking energy: -349.300
Base-Backbone interact. energy: -2.238
local terms energy: -482.694903
where:
bonds (distance) C4'-P energy: -107.409
bonds (distance) P-C4' energy: -124.284
flat angles C4'-P-C4' energy: -128.485
flat angles P-C4'-P energy: -62.256
tors. eta vs tors. theta energy: -60.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1181.970778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.970778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.970778 (E_RNA)
where:
Base-Base interactions energy: -718.095
where: short stacking energy: -362.131
Base-Backbone interact. energy: -1.757
local terms energy: -462.119015
where:
bonds (distance) C4'-P energy: -102.464
bonds (distance) P-C4' energy: -121.068
flat angles C4'-P-C4' energy: -112.968
flat angles P-C4'-P energy: -74.371
tors. eta vs tors. theta energy: -51.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -872.849739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.849739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.849739 (E_RNA)
where:
Base-Base interactions energy: -475.324
where: short stacking energy: -242.315
Base-Backbone interact. energy: 1.107
local terms energy: -398.632740
where:
bonds (distance) C4'-P energy: -115.483
bonds (distance) P-C4' energy: -118.019
flat angles C4'-P-C4' energy: -99.950
flat angles P-C4'-P energy: -63.418
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2455.544123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.544123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.544123 (E_RNA)
where:
Base-Base interactions energy: -1718.149
where: short stacking energy: -708.535
Base-Backbone interact. energy: -2.057
local terms energy: -735.338264
where:
bonds (distance) C4'-P energy: -143.153
bonds (distance) P-C4' energy: -135.039
flat angles C4'-P-C4' energy: -158.044
flat angles P-C4'-P energy: -115.028
tors. eta vs tors. theta energy: -184.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2336.530135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.530135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.530135 (E_RNA)
where:
Base-Base interactions energy: -1567.764
where: short stacking energy: -712.067
Base-Backbone interact. energy: -1.662
local terms energy: -767.103994
where:
bonds (distance) C4'-P energy: -140.160
bonds (distance) P-C4' energy: -148.390
flat angles C4'-P-C4' energy: -162.284
flat angles P-C4'-P energy: -107.849
tors. eta vs tors. theta energy: -208.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2265.925655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.925655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.925655 (E_RNA)
where:
Base-Base interactions energy: -1566.176
where: short stacking energy: -659.207
Base-Backbone interact. energy: 0.757
local terms energy: -700.506320
where:
bonds (distance) C4'-P energy: -136.144
bonds (distance) P-C4' energy: -140.009
flat angles C4'-P-C4' energy: -154.710
flat angles P-C4'-P energy: -94.859
tors. eta vs tors. theta energy: -174.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2138.377293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.377293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.377293 (E_RNA)
where:
Base-Base interactions energy: -1431.022
where: short stacking energy: -660.852
Base-Backbone interact. energy: 0.490
local terms energy: -707.845372
where:
bonds (distance) C4'-P energy: -132.743
bonds (distance) P-C4' energy: -132.406
flat angles C4'-P-C4' energy: -160.764
flat angles P-C4'-P energy: -96.769
tors. eta vs tors. theta energy: -185.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1944.157891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.157891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.157891 (E_RNA)
where:
Base-Base interactions energy: -1278.961
where: short stacking energy: -580.078
Base-Backbone interact. energy: 1.214
local terms energy: -666.410598
where:
bonds (distance) C4'-P energy: -123.055
bonds (distance) P-C4' energy: -153.312
flat angles C4'-P-C4' energy: -143.041
flat angles P-C4'-P energy: -85.903
tors. eta vs tors. theta energy: -161.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1706.827540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.827540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.827540 (E_RNA)
where:
Base-Base interactions energy: -1112.572
where: short stacking energy: -495.073
Base-Backbone interact. energy: -1.883
local terms energy: -592.372499
where:
bonds (distance) C4'-P energy: -122.079
bonds (distance) P-C4' energy: -116.116
flat angles C4'-P-C4' energy: -135.953
flat angles P-C4'-P energy: -108.481
tors. eta vs tors. theta energy: -109.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1456.096844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.096844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.096844 (E_RNA)
where:
Base-Base interactions energy: -873.273
where: short stacking energy: -389.415
Base-Backbone interact. energy: -3.803
local terms energy: -579.020647
where:
bonds (distance) C4'-P energy: -136.361
bonds (distance) P-C4' energy: -142.372
flat angles C4'-P-C4' energy: -131.665
flat angles P-C4'-P energy: -81.012
tors. eta vs tors. theta energy: -87.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1217.309125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.309125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.309125 (E_RNA)
where:
Base-Base interactions energy: -734.299
where: short stacking energy: -361.297
Base-Backbone interact. energy: 0.855
local terms energy: -483.865765
where:
bonds (distance) C4'-P energy: -116.008
bonds (distance) P-C4' energy: -120.647
flat angles C4'-P-C4' energy: -103.933
flat angles P-C4'-P energy: -69.192
tors. eta vs tors. theta energy: -74.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1131.615375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.615375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.615375 (E_RNA)
where:
Base-Base interactions energy: -712.270
where: short stacking energy: -323.220
Base-Backbone interact. energy: -3.050
local terms energy: -416.295322
where:
bonds (distance) C4'-P energy: -88.890
bonds (distance) P-C4' energy: -118.033
flat angles C4'-P-C4' energy: -112.750
flat angles P-C4'-P energy: -63.647
tors. eta vs tors. theta energy: -32.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -820.914187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.914187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.914187 (E_RNA)
where:
Base-Base interactions energy: -442.962
where: short stacking energy: -248.810
Base-Backbone interact. energy: 2.376
local terms energy: -380.328367
where:
bonds (distance) C4'-P energy: -120.627
bonds (distance) P-C4' energy: -127.288
flat angles C4'-P-C4' energy: -70.478
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2436.701169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.701169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.701169 (E_RNA)
where:
Base-Base interactions energy: -1682.736
where: short stacking energy: -732.384
Base-Backbone interact. energy: -4.377
local terms energy: -749.587995
where:
bonds (distance) C4'-P energy: -134.010
bonds (distance) P-C4' energy: -148.469
flat angles C4'-P-C4' energy: -167.635
flat angles P-C4'-P energy: -107.556
tors. eta vs tors. theta energy: -191.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2355.724516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.724516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.724516 (E_RNA)
where:
Base-Base interactions energy: -1600.251
where: short stacking energy: -691.775
Base-Backbone interact. energy: -3.190
local terms energy: -752.283581
where:
bonds (distance) C4'-P energy: -144.221
bonds (distance) P-C4' energy: -149.366
flat angles C4'-P-C4' energy: -159.232
flat angles P-C4'-P energy: -105.893
tors. eta vs tors. theta energy: -193.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2286.320764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.320764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.320764 (E_RNA)
where:
Base-Base interactions energy: -1583.700
where: short stacking energy: -662.657
Base-Backbone interact. energy: -1.265
local terms energy: -701.355336
where:
bonds (distance) C4'-P energy: -127.889
bonds (distance) P-C4' energy: -139.592
flat angles C4'-P-C4' energy: -153.482
flat angles P-C4'-P energy: -95.338
tors. eta vs tors. theta energy: -185.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2086.792864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.792864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.792864 (E_RNA)
where:
Base-Base interactions energy: -1408.537
where: short stacking energy: -614.092
Base-Backbone interact. energy: -1.504
local terms energy: -676.751588
where:
bonds (distance) C4'-P energy: -125.046
bonds (distance) P-C4' energy: -128.118
flat angles C4'-P-C4' energy: -149.469
flat angles P-C4'-P energy: -98.659
tors. eta vs tors. theta energy: -175.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1946.123021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.123021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.123021 (E_RNA)
where:
Base-Base interactions energy: -1292.516
where: short stacking energy: -607.895
Base-Backbone interact. energy: -1.710
local terms energy: -651.897615
where:
bonds (distance) C4'-P energy: -126.520
bonds (distance) P-C4' energy: -125.657
flat angles C4'-P-C4' energy: -148.883
flat angles P-C4'-P energy: -84.991
tors. eta vs tors. theta energy: -165.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1742.173496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.173496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.173496 (E_RNA)
where:
Base-Base interactions energy: -1169.413
where: short stacking energy: -536.279
Base-Backbone interact. energy: 2.001
local terms energy: -574.761931
where:
bonds (distance) C4'-P energy: -105.168
bonds (distance) P-C4' energy: -127.481
flat angles C4'-P-C4' energy: -135.247
flat angles P-C4'-P energy: -78.423
tors. eta vs tors. theta energy: -128.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1437.409806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.409806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.409806 (E_RNA)
where:
Base-Base interactions energy: -885.287
where: short stacking energy: -463.148
Base-Backbone interact. energy: 1.882
local terms energy: -554.004853
where:
bonds (distance) C4'-P energy: -105.207
bonds (distance) P-C4' energy: -133.057
flat angles C4'-P-C4' energy: -139.706
flat angles P-C4'-P energy: -94.692
tors. eta vs tors. theta energy: -81.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1250.025961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.025961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.025961 (E_RNA)
where:
Base-Base interactions energy: -754.252
where: short stacking energy: -360.812
Base-Backbone interact. energy: -1.608
local terms energy: -494.166847
where:
bonds (distance) C4'-P energy: -106.489
bonds (distance) P-C4' energy: -146.025
flat angles C4'-P-C4' energy: -120.090
flat angles P-C4'-P energy: -75.116
tors. eta vs tors. theta energy: -46.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1069.397333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.397333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.397333 (E_RNA)
where:
Base-Base interactions energy: -601.771
where: short stacking energy: -307.087
Base-Backbone interact. energy: -3.629
local terms energy: -463.997723
where:
bonds (distance) C4'-P energy: -100.240
bonds (distance) P-C4' energy: -129.965
flat angles C4'-P-C4' energy: -115.506
flat angles P-C4'-P energy: -73.035
tors. eta vs tors. theta energy: -45.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -817.185164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.185164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.185164 (E_RNA)
where:
Base-Base interactions energy: -404.765
where: short stacking energy: -228.938
Base-Backbone interact. energy: 6.195
local terms energy: -418.615791
where:
bonds (distance) C4'-P energy: -124.365
bonds (distance) P-C4' energy: -97.210
flat angles C4'-P-C4' energy: -116.356
flat angles P-C4'-P energy: -63.039
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2481.204650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.204650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.204650 (E_RNA)
where:
Base-Base interactions energy: -1732.608
where: short stacking energy: -707.509
Base-Backbone interact. energy: -2.799
local terms energy: -745.797609
where:
bonds (distance) C4'-P energy: -138.855
bonds (distance) P-C4' energy: -143.143
flat angles C4'-P-C4' energy: -163.964
flat angles P-C4'-P energy: -101.669
tors. eta vs tors. theta energy: -198.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2398.498067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.498067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.498067 (E_RNA)
where:
Base-Base interactions energy: -1636.528
where: short stacking energy: -700.681
Base-Backbone interact. energy: 2.168
local terms energy: -764.138092
where:
bonds (distance) C4'-P energy: -133.670
bonds (distance) P-C4' energy: -154.252
flat angles C4'-P-C4' energy: -159.825
flat angles P-C4'-P energy: -111.899
tors. eta vs tors. theta energy: -204.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2284.425962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.425962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.425962 (E_RNA)
where:
Base-Base interactions energy: -1593.743
where: short stacking energy: -649.141
Base-Backbone interact. energy: -3.783
local terms energy: -686.900715
where:
bonds (distance) C4'-P energy: -134.775
bonds (distance) P-C4' energy: -131.612
flat angles C4'-P-C4' energy: -159.686
flat angles P-C4'-P energy: -81.725
tors. eta vs tors. theta energy: -179.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2096.791600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.791600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.791600 (E_RNA)
where:
Base-Base interactions energy: -1420.567
where: short stacking energy: -647.156
Base-Backbone interact. energy: 0.154
local terms energy: -676.379514
where:
bonds (distance) C4'-P energy: -129.656
bonds (distance) P-C4' energy: -110.407
flat angles C4'-P-C4' energy: -160.572
flat angles P-C4'-P energy: -108.874
tors. eta vs tors. theta energy: -166.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1947.162608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.162608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.162608 (E_RNA)
where:
Base-Base interactions energy: -1299.771
where: short stacking energy: -584.266
Base-Backbone interact. energy: -0.955
local terms energy: -646.436435
where:
bonds (distance) C4'-P energy: -116.614
bonds (distance) P-C4' energy: -135.827
flat angles C4'-P-C4' energy: -153.002
flat angles P-C4'-P energy: -84.635
tors. eta vs tors. theta energy: -156.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1766.509987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.509987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.509987 (E_RNA)
where:
Base-Base interactions energy: -1113.311
where: short stacking energy: -532.513
Base-Backbone interact. energy: 2.289
local terms energy: -655.487070
where:
bonds (distance) C4'-P energy: -141.003
bonds (distance) P-C4' energy: -136.172
flat angles C4'-P-C4' energy: -139.337
flat angles P-C4'-P energy: -96.062
tors. eta vs tors. theta energy: -142.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1436.770979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.770979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.770979 (E_RNA)
where:
Base-Base interactions energy: -900.469
where: short stacking energy: -423.920
Base-Backbone interact. energy: -0.318
local terms energy: -535.983959
where:
bonds (distance) C4'-P energy: -119.948
bonds (distance) P-C4' energy: -138.230
flat angles C4'-P-C4' energy: -127.520
flat angles P-C4'-P energy: -81.044
tors. eta vs tors. theta energy: -69.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1327.144508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.144508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.144508 (E_RNA)
where:
Base-Base interactions energy: -789.709
where: short stacking energy: -399.340
Base-Backbone interact. energy: -2.724
local terms energy: -534.711161
where:
bonds (distance) C4'-P energy: -123.872
bonds (distance) P-C4' energy: -128.146
flat angles C4'-P-C4' energy: -130.197
flat angles P-C4'-P energy: -81.442
tors. eta vs tors. theta energy: -71.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1019.432116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.432116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.432116 (E_RNA)
where:
Base-Base interactions energy: -568.485
where: short stacking energy: -288.782
Base-Backbone interact. energy: 5.835
local terms energy: -456.782373
where:
bonds (distance) C4'-P energy: -107.441
bonds (distance) P-C4' energy: -135.099
flat angles C4'-P-C4' energy: -110.983
flat angles P-C4'-P energy: -70.369
tors. eta vs tors. theta energy: -32.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -806.843705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.843705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.843705 (E_RNA)
where:
Base-Base interactions energy: -425.702
where: short stacking energy: -234.295
Base-Backbone interact. energy: 1.893
local terms energy: -383.034837
where:
bonds (distance) C4'-P energy: -89.503
bonds (distance) P-C4' energy: -136.592
flat angles C4'-P-C4' energy: -88.617
flat angles P-C4'-P energy: -71.833
tors. eta vs tors. theta energy: 3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2514.388319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.388319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.388319 (E_RNA)
where:
Base-Base interactions energy: -1740.623
where: short stacking energy: -722.307
Base-Backbone interact. energy: -4.675
local terms energy: -769.089787
where:
bonds (distance) C4'-P energy: -140.415
bonds (distance) P-C4' energy: -152.764
flat angles C4'-P-C4' energy: -164.404
flat angles P-C4'-P energy: -106.908
tors. eta vs tors. theta energy: -204.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2334.659101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.659101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.659101 (E_RNA)
where:
Base-Base interactions energy: -1589.087
where: short stacking energy: -699.957
Base-Backbone interact. energy: -3.303
local terms energy: -742.269089
where:
bonds (distance) C4'-P energy: -146.942
bonds (distance) P-C4' energy: -145.427
flat angles C4'-P-C4' energy: -145.008
flat angles P-C4'-P energy: -103.004
tors. eta vs tors. theta energy: -201.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2290.057821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.057821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.057821 (E_RNA)
where:
Base-Base interactions energy: -1600.191
where: short stacking energy: -672.779
Base-Backbone interact. energy: -3.633
local terms energy: -686.233023
where:
bonds (distance) C4'-P energy: -139.790
bonds (distance) P-C4' energy: -133.196
flat angles C4'-P-C4' energy: -148.550
flat angles P-C4'-P energy: -94.241
tors. eta vs tors. theta energy: -170.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2060.434418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.434418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.434418 (E_RNA)
where:
Base-Base interactions energy: -1375.511
where: short stacking energy: -590.200
Base-Backbone interact. energy: -4.853
local terms energy: -680.069978
where:
bonds (distance) C4'-P energy: -137.362
bonds (distance) P-C4' energy: -133.617
flat angles C4'-P-C4' energy: -149.684
flat angles P-C4'-P energy: -95.412
tors. eta vs tors. theta energy: -163.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1903.870067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.870067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.870067 (E_RNA)
where:
Base-Base interactions energy: -1258.421
where: short stacking energy: -565.721
Base-Backbone interact. energy: -1.562
local terms energy: -643.886927
where:
bonds (distance) C4'-P energy: -122.146
bonds (distance) P-C4' energy: -131.776
flat angles C4'-P-C4' energy: -154.142
flat angles P-C4'-P energy: -92.321
tors. eta vs tors. theta energy: -143.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1763.868900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.868900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.868900 (E_RNA)
where:
Base-Base interactions energy: -1160.737
where: short stacking energy: -523.675
Base-Backbone interact. energy: -5.575
local terms energy: -597.555939
where:
bonds (distance) C4'-P energy: -125.037
bonds (distance) P-C4' energy: -141.207
flat angles C4'-P-C4' energy: -120.063
flat angles P-C4'-P energy: -79.463
tors. eta vs tors. theta energy: -131.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1453.778391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.778391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.778391 (E_RNA)
where:
Base-Base interactions energy: -893.586
where: short stacking energy: -444.744
Base-Backbone interact. energy: -4.742
local terms energy: -555.450734
where:
bonds (distance) C4'-P energy: -123.218
bonds (distance) P-C4' energy: -137.344
flat angles C4'-P-C4' energy: -136.580
flat angles P-C4'-P energy: -67.023
tors. eta vs tors. theta energy: -91.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1279.870559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.870559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.870559 (E_RNA)
where:
Base-Base interactions energy: -781.133
where: short stacking energy: -370.006
Base-Backbone interact. energy: 0.549
local terms energy: -499.286803
where:
bonds (distance) C4'-P energy: -107.600
bonds (distance) P-C4' energy: -116.560
flat angles C4'-P-C4' energy: -129.293
flat angles P-C4'-P energy: -82.290
tors. eta vs tors. theta energy: -63.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -977.243739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.243739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.243739 (E_RNA)
where:
Base-Base interactions energy: -558.123
where: short stacking energy: -282.867
Base-Backbone interact. energy: -1.795
local terms energy: -417.325031
where:
bonds (distance) C4'-P energy: -125.543
bonds (distance) P-C4' energy: -100.735
flat angles C4'-P-C4' energy: -106.056
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -32.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -794.016810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.016810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.016810 (E_RNA)
where:
Base-Base interactions energy: -441.873
where: short stacking energy: -236.652
Base-Backbone interact. energy: 0.243
local terms energy: -352.386974
where:
bonds (distance) C4'-P energy: -93.428
bonds (distance) P-C4' energy: -105.250
flat angles C4'-P-C4' energy: -101.890
flat angles P-C4'-P energy: -58.399
tors. eta vs tors. theta energy: 6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2525.365976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.365976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.365976 (E_RNA)
where:
Base-Base interactions energy: -1759.450
where: short stacking energy: -712.209
Base-Backbone interact. energy: -2.900
local terms energy: -763.016288
where:
bonds (distance) C4'-P energy: -146.078
bonds (distance) P-C4' energy: -150.050
flat angles C4'-P-C4' energy: -165.837
flat angles P-C4'-P energy: -106.939
tors. eta vs tors. theta energy: -194.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2365.438710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.438710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.438710 (E_RNA)
where:
Base-Base interactions energy: -1584.589
where: short stacking energy: -681.054
Base-Backbone interact. energy: -3.745
local terms energy: -777.105006
where:
bonds (distance) C4'-P energy: -157.572
bonds (distance) P-C4' energy: -158.136
flat angles C4'-P-C4' energy: -167.776
flat angles P-C4'-P energy: -107.052
tors. eta vs tors. theta energy: -186.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2268.855383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.855383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.855383 (E_RNA)
where:
Base-Base interactions energy: -1571.695
where: short stacking energy: -658.142
Base-Backbone interact. energy: -4.522
local terms energy: -692.638602
where:
bonds (distance) C4'-P energy: -137.002
bonds (distance) P-C4' energy: -158.760
flat angles C4'-P-C4' energy: -148.276
flat angles P-C4'-P energy: -80.516
tors. eta vs tors. theta energy: -168.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2050.271574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.271574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.271574 (E_RNA)
where:
Base-Base interactions energy: -1367.908
where: short stacking energy: -603.553
Base-Backbone interact. energy: -2.806
local terms energy: -679.557843
where:
bonds (distance) C4'-P energy: -135.557
bonds (distance) P-C4' energy: -131.903
flat angles C4'-P-C4' energy: -133.366
flat angles P-C4'-P energy: -120.968
tors. eta vs tors. theta energy: -157.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1912.768877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.768877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.768877 (E_RNA)
where:
Base-Base interactions energy: -1285.369
where: short stacking energy: -595.680
Base-Backbone interact. energy: -3.464
local terms energy: -623.935959
where:
bonds (distance) C4'-P energy: -114.623
bonds (distance) P-C4' energy: -119.206
flat angles C4'-P-C4' energy: -134.503
flat angles P-C4'-P energy: -109.257
tors. eta vs tors. theta energy: -146.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1817.718244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.718244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.718244 (E_RNA)
where:
Base-Base interactions energy: -1190.225
where: short stacking energy: -538.930
Base-Backbone interact. energy: 1.318
local terms energy: -628.811064
where:
bonds (distance) C4'-P energy: -114.581
bonds (distance) P-C4' energy: -130.100
flat angles C4'-P-C4' energy: -152.054
flat angles P-C4'-P energy: -89.875
tors. eta vs tors. theta energy: -142.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1526.461037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.461037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.461037 (E_RNA)
where:
Base-Base interactions energy: -1008.403
where: short stacking energy: -454.953
Base-Backbone interact. energy: -0.788
local terms energy: -517.270153
where:
bonds (distance) C4'-P energy: -132.194
bonds (distance) P-C4' energy: -121.046
flat angles C4'-P-C4' energy: -109.351
flat angles P-C4'-P energy: -56.702
tors. eta vs tors. theta energy: -97.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1332.908149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.908149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.908149 (E_RNA)
where:
Base-Base interactions energy: -825.633
where: short stacking energy: -397.110
Base-Backbone interact. energy: -1.816
local terms energy: -505.459039
where:
bonds (distance) C4'-P energy: -112.387
bonds (distance) P-C4' energy: -136.247
flat angles C4'-P-C4' energy: -113.190
flat angles P-C4'-P energy: -84.614
tors. eta vs tors. theta energy: -59.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -988.015152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.015152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.015152 (E_RNA)
where:
Base-Base interactions energy: -514.559
where: short stacking energy: -258.146
Base-Backbone interact. energy: -2.208
local terms energy: -471.248551
where:
bonds (distance) C4'-P energy: -129.095
bonds (distance) P-C4' energy: -131.463
flat angles C4'-P-C4' energy: -114.150
flat angles P-C4'-P energy: -75.476
tors. eta vs tors. theta energy: -21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -790.879846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.879846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.879846 (E_RNA)
where:
Base-Base interactions energy: -366.114
where: short stacking energy: -215.277
Base-Backbone interact. energy: -2.561
local terms energy: -422.204858
where:
bonds (distance) C4'-P energy: -111.815
bonds (distance) P-C4' energy: -123.761
flat angles C4'-P-C4' energy: -97.722
flat angles P-C4'-P energy: -82.441
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2512.728315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.728315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.728315 (E_RNA)
where:
Base-Base interactions energy: -1749.121
where: short stacking energy: -712.104
Base-Backbone interact. energy: 4.991
local terms energy: -768.598183
where:
bonds (distance) C4'-P energy: -148.665
bonds (distance) P-C4' energy: -149.642
flat angles C4'-P-C4' energy: -165.416
flat angles P-C4'-P energy: -106.155
tors. eta vs tors. theta energy: -198.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2315.606604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.606604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.606604 (E_RNA)
where:
Base-Base interactions energy: -1586.047
where: short stacking energy: -661.753
Base-Backbone interact. energy: -1.817
local terms energy: -727.742578
where:
bonds (distance) C4'-P energy: -141.895
bonds (distance) P-C4' energy: -127.133
flat angles C4'-P-C4' energy: -164.105
flat angles P-C4'-P energy: -116.465
tors. eta vs tors. theta energy: -178.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2247.256495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.256495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.256495 (E_RNA)
where:
Base-Base interactions energy: -1535.632
where: short stacking energy: -659.302
Base-Backbone interact. energy: -1.642
local terms energy: -709.982495
where:
bonds (distance) C4'-P energy: -136.108
bonds (distance) P-C4' energy: -137.640
flat angles C4'-P-C4' energy: -161.710
flat angles P-C4'-P energy: -98.185
tors. eta vs tors. theta energy: -176.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2096.113560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.113560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.113560 (E_RNA)
where:
Base-Base interactions energy: -1405.114
where: short stacking energy: -608.043
Base-Backbone interact. energy: -1.324
local terms energy: -689.675017
where:
bonds (distance) C4'-P energy: -134.883
bonds (distance) P-C4' energy: -140.122
flat angles C4'-P-C4' energy: -149.138
flat angles P-C4'-P energy: -100.402
tors. eta vs tors. theta energy: -165.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1956.969087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.969087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.969087 (E_RNA)
where:
Base-Base interactions energy: -1315.983
where: short stacking energy: -586.233
Base-Backbone interact. energy: -1.211
local terms energy: -639.775372
where:
bonds (distance) C4'-P energy: -131.485
bonds (distance) P-C4' energy: -127.071
flat angles C4'-P-C4' energy: -144.378
flat angles P-C4'-P energy: -87.832
tors. eta vs tors. theta energy: -149.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1835.186692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.186692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.186692 (E_RNA)
where:
Base-Base interactions energy: -1207.444
where: short stacking energy: -519.842
Base-Backbone interact. energy: 0.176
local terms energy: -627.918340
where:
bonds (distance) C4'-P energy: -126.397
bonds (distance) P-C4' energy: -141.823
flat angles C4'-P-C4' energy: -145.781
flat angles P-C4'-P energy: -94.288
tors. eta vs tors. theta energy: -119.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1478.372889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.372889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.372889 (E_RNA)
where:
Base-Base interactions energy: -933.736
where: short stacking energy: -462.604
Base-Backbone interact. energy: -4.874
local terms energy: -539.762851
where:
bonds (distance) C4'-P energy: -113.284
bonds (distance) P-C4' energy: -120.889
flat angles C4'-P-C4' energy: -144.422
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -106.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1289.335024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.335024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.335024 (E_RNA)
where:
Base-Base interactions energy: -795.373
where: short stacking energy: -372.606
Base-Backbone interact. energy: -1.632
local terms energy: -492.329684
where:
bonds (distance) C4'-P energy: -135.421
bonds (distance) P-C4' energy: -130.051
flat angles C4'-P-C4' energy: -100.734
flat angles P-C4'-P energy: -78.010
tors. eta vs tors. theta energy: -48.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1008.439631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.439631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.439631 (E_RNA)
where:
Base-Base interactions energy: -572.058
where: short stacking energy: -277.645
Base-Backbone interact. energy: -1.411
local terms energy: -434.970090
where:
bonds (distance) C4'-P energy: -123.317
bonds (distance) P-C4' energy: -126.959
flat angles C4'-P-C4' energy: -111.355
flat angles P-C4'-P energy: -47.769
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -825.872664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.872664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.872664 (E_RNA)
where:
Base-Base interactions energy: -416.722
where: short stacking energy: -222.818
Base-Backbone interact. energy: -2.255
local terms energy: -406.895845
where:
bonds (distance) C4'-P energy: -104.467
bonds (distance) P-C4' energy: -128.793
flat angles C4'-P-C4' energy: -110.192
flat angles P-C4'-P energy: -61.699
tors. eta vs tors. theta energy: -1.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2468.187460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.187460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.187460 (E_RNA)
where:
Base-Base interactions energy: -1719.462
where: short stacking energy: -684.615
Base-Backbone interact. energy: -2.697
local terms energy: -746.028178
where:
bonds (distance) C4'-P energy: -150.182
bonds (distance) P-C4' energy: -145.031
flat angles C4'-P-C4' energy: -169.925
flat angles P-C4'-P energy: -98.338
tors. eta vs tors. theta energy: -182.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2347.425800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.425800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.425800 (E_RNA)
where:
Base-Base interactions energy: -1616.819
where: short stacking energy: -687.445
Base-Backbone interact. energy: -2.811
local terms energy: -727.796104
where:
bonds (distance) C4'-P energy: -124.232
bonds (distance) P-C4' energy: -127.388
flat angles C4'-P-C4' energy: -166.096
flat angles P-C4'-P energy: -115.732
tors. eta vs tors. theta energy: -194.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2252.405109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.405109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.405109 (E_RNA)
where:
Base-Base interactions energy: -1550.204
where: short stacking energy: -655.612
Base-Backbone interact. energy: -0.812
local terms energy: -701.389313
where:
bonds (distance) C4'-P energy: -138.240
bonds (distance) P-C4' energy: -147.252
flat angles C4'-P-C4' energy: -149.325
flat angles P-C4'-P energy: -97.471
tors. eta vs tors. theta energy: -169.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2090.878137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.878137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.878137 (E_RNA)
where:
Base-Base interactions energy: -1384.677
where: short stacking energy: -649.713
Base-Backbone interact. energy: -1.807
local terms energy: -704.394729
where:
bonds (distance) C4'-P energy: -130.274
bonds (distance) P-C4' energy: -136.839
flat angles C4'-P-C4' energy: -155.138
flat angles P-C4'-P energy: -91.923
tors. eta vs tors. theta energy: -190.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1909.732489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.732489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.732489 (E_RNA)
where:
Base-Base interactions energy: -1252.139
where: short stacking energy: -572.803
Base-Backbone interact. energy: -5.382
local terms energy: -652.212374
where:
bonds (distance) C4'-P energy: -131.777
bonds (distance) P-C4' energy: -136.840
flat angles C4'-P-C4' energy: -145.069
flat angles P-C4'-P energy: -96.111
tors. eta vs tors. theta energy: -142.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1836.974971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.974971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.974971 (E_RNA)
where:
Base-Base interactions energy: -1208.903
where: short stacking energy: -550.604
Base-Backbone interact. energy: -3.797
local terms energy: -624.274786
where:
bonds (distance) C4'-P energy: -129.197
bonds (distance) P-C4' energy: -136.738
flat angles C4'-P-C4' energy: -135.462
flat angles P-C4'-P energy: -85.757
tors. eta vs tors. theta energy: -137.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1504.462891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.462891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.462891 (E_RNA)
where:
Base-Base interactions energy: -960.608
where: short stacking energy: -455.682
Base-Backbone interact. energy: 10.817
local terms energy: -554.671971
where:
bonds (distance) C4'-P energy: -109.967
bonds (distance) P-C4' energy: -133.009
flat angles C4'-P-C4' energy: -128.805
flat angles P-C4'-P energy: -88.439
tors. eta vs tors. theta energy: -94.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1352.872052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.872052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.872052 (E_RNA)
where:
Base-Base interactions energy: -841.198
where: short stacking energy: -376.484
Base-Backbone interact. energy: 1.078
local terms energy: -512.751953
where:
bonds (distance) C4'-P energy: -125.301
bonds (distance) P-C4' energy: -117.501
flat angles C4'-P-C4' energy: -126.802
flat angles P-C4'-P energy: -71.042
tors. eta vs tors. theta energy: -72.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -979.947610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.947610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.947610 (E_RNA)
where:
Base-Base interactions energy: -558.084
where: short stacking energy: -284.591
Base-Backbone interact. energy: -3.389
local terms energy: -418.474653
where:
bonds (distance) C4'-P energy: -102.025
bonds (distance) P-C4' energy: -114.810
flat angles C4'-P-C4' energy: -113.900
flat angles P-C4'-P energy: -59.807
tors. eta vs tors. theta energy: -27.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -832.895827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.895827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.895827 (E_RNA)
where:
Base-Base interactions energy: -433.790
where: short stacking energy: -231.349
Base-Backbone interact. energy: 1.206
local terms energy: -400.311876
where:
bonds (distance) C4'-P energy: -105.605
bonds (distance) P-C4' energy: -105.286
flat angles C4'-P-C4' energy: -127.402
flat angles P-C4'-P energy: -59.401
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2509.244912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.244912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.244912 (E_RNA)
where:
Base-Base interactions energy: -1741.667
where: short stacking energy: -695.707
Base-Backbone interact. energy: -1.905
local terms energy: -765.672282
where:
bonds (distance) C4'-P energy: -140.267
bonds (distance) P-C4' energy: -155.818
flat angles C4'-P-C4' energy: -162.734
flat angles P-C4'-P energy: -118.389
tors. eta vs tors. theta energy: -188.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2344.395029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.395029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.395029 (E_RNA)
where:
Base-Base interactions energy: -1587.772
where: short stacking energy: -691.881
Base-Backbone interact. energy: 6.060
local terms energy: -762.682480
where:
bonds (distance) C4'-P energy: -146.099
bonds (distance) P-C4' energy: -137.719
flat angles C4'-P-C4' energy: -166.357
flat angles P-C4'-P energy: -116.742
tors. eta vs tors. theta energy: -195.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2256.940398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.940398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.940398 (E_RNA)
where:
Base-Base interactions energy: -1539.551
where: short stacking energy: -652.309
Base-Backbone interact. energy: -4.135
local terms energy: -713.254367
where:
bonds (distance) C4'-P energy: -130.097
bonds (distance) P-C4' energy: -146.950
flat angles C4'-P-C4' energy: -163.153
flat angles P-C4'-P energy: -93.787
tors. eta vs tors. theta energy: -179.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2070.365666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.365666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.365666 (E_RNA)
where:
Base-Base interactions energy: -1390.323
where: short stacking energy: -624.720
Base-Backbone interact. energy: -4.532
local terms energy: -675.510133
where:
bonds (distance) C4'-P energy: -132.424
bonds (distance) P-C4' energy: -133.212
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -94.810
tors. eta vs tors. theta energy: -177.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1925.322200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.322200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.322200 (E_RNA)
where:
Base-Base interactions energy: -1278.657
where: short stacking energy: -573.555
Base-Backbone interact. energy: -1.787
local terms energy: -644.877592
where:
bonds (distance) C4'-P energy: -140.502
bonds (distance) P-C4' energy: -122.270
flat angles C4'-P-C4' energy: -131.340
flat angles P-C4'-P energy: -103.233
tors. eta vs tors. theta energy: -147.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1832.188469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.188469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.188469 (E_RNA)
where:
Base-Base interactions energy: -1228.440
where: short stacking energy: -520.885
Base-Backbone interact. energy: -3.648
local terms energy: -600.100350
where:
bonds (distance) C4'-P energy: -102.941
bonds (distance) P-C4' energy: -118.787
flat angles C4'-P-C4' energy: -147.732
flat angles P-C4'-P energy: -77.643
tors. eta vs tors. theta energy: -152.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1332.246228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.246228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.246228 (E_RNA)
where:
Base-Base interactions energy: -809.346
where: short stacking energy: -410.727
Base-Backbone interact. energy: 0.065
local terms energy: -522.965204
where:
bonds (distance) C4'-P energy: -117.275
bonds (distance) P-C4' energy: -140.142
flat angles C4'-P-C4' energy: -136.958
flat angles P-C4'-P energy: -69.923
tors. eta vs tors. theta energy: -58.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1395.839545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.839545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.839545 (E_RNA)
where:
Base-Base interactions energy: -881.033
where: short stacking energy: -428.145
Base-Backbone interact. energy: 2.194
local terms energy: -517.000435
where:
bonds (distance) C4'-P energy: -103.276
bonds (distance) P-C4' energy: -124.346
flat angles C4'-P-C4' energy: -110.077
flat angles P-C4'-P energy: -77.326
tors. eta vs tors. theta energy: -101.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -924.171339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.171339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.171339 (E_RNA)
where:
Base-Base interactions energy: -454.462
where: short stacking energy: -257.151
Base-Backbone interact. energy: 1.984
local terms energy: -471.692934
where:
bonds (distance) C4'-P energy: -124.257
bonds (distance) P-C4' energy: -119.494
flat angles C4'-P-C4' energy: -131.080
flat angles P-C4'-P energy: -80.217
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -843.616184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.616184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.616184 (E_RNA)
where:
Base-Base interactions energy: -410.375
where: short stacking energy: -231.687
Base-Backbone interact. energy: -3.172
local terms energy: -430.069286
where:
bonds (distance) C4'-P energy: -113.440
bonds (distance) P-C4' energy: -113.348
flat angles C4'-P-C4' energy: -112.300
flat angles P-C4'-P energy: -86.405
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2478.229133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.229133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.229133 (E_RNA)
where:
Base-Base interactions energy: -1720.222
where: short stacking energy: -684.443
Base-Backbone interact. energy: -4.637
local terms energy: -753.370471
where:
bonds (distance) C4'-P energy: -147.197
bonds (distance) P-C4' energy: -150.609
flat angles C4'-P-C4' energy: -162.602
flat angles P-C4'-P energy: -98.601
tors. eta vs tors. theta energy: -194.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2357.162880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.162880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.162880 (E_RNA)
where:
Base-Base interactions energy: -1612.623
where: short stacking energy: -699.137
Base-Backbone interact. energy: -3.075
local terms energy: -741.465272
where:
bonds (distance) C4'-P energy: -137.301
bonds (distance) P-C4' energy: -156.245
flat angles C4'-P-C4' energy: -151.584
flat angles P-C4'-P energy: -113.479
tors. eta vs tors. theta energy: -182.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2252.887791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.887791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.887791 (E_RNA)
where:
Base-Base interactions energy: -1530.581
where: short stacking energy: -635.720
Base-Backbone interact. energy: -6.279
local terms energy: -716.028422
where:
bonds (distance) C4'-P energy: -139.894
bonds (distance) P-C4' energy: -146.859
flat angles C4'-P-C4' energy: -153.499
flat angles P-C4'-P energy: -103.596
tors. eta vs tors. theta energy: -172.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2094.287999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.287999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.287999 (E_RNA)
where:
Base-Base interactions energy: -1436.699
where: short stacking energy: -640.731
Base-Backbone interact. energy: -2.274
local terms energy: -655.315855
where:
bonds (distance) C4'-P energy: -131.289
bonds (distance) P-C4' energy: -117.934
flat angles C4'-P-C4' energy: -139.409
flat angles P-C4'-P energy: -93.283
tors. eta vs tors. theta energy: -173.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1917.127271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.127271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.127271 (E_RNA)
where:
Base-Base interactions energy: -1269.127
where: short stacking energy: -593.640
Base-Backbone interact. energy: 1.846
local terms energy: -649.846449
where:
bonds (distance) C4'-P energy: -128.701
bonds (distance) P-C4' energy: -130.969
flat angles C4'-P-C4' energy: -130.815
flat angles P-C4'-P energy: -103.141
tors. eta vs tors. theta energy: -156.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1803.755277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.755277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.755277 (E_RNA)
where:
Base-Base interactions energy: -1178.078
where: short stacking energy: -490.026
Base-Backbone interact. energy: -4.496
local terms energy: -621.181520
where:
bonds (distance) C4'-P energy: -123.741
bonds (distance) P-C4' energy: -137.959
flat angles C4'-P-C4' energy: -150.407
flat angles P-C4'-P energy: -79.903
tors. eta vs tors. theta energy: -129.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1329.640533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.640533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.640533 (E_RNA)
where:
Base-Base interactions energy: -793.800
where: short stacking energy: -405.755
Base-Backbone interact. energy: -1.691
local terms energy: -534.149389
where:
bonds (distance) C4'-P energy: -125.090
bonds (distance) P-C4' energy: -113.010
flat angles C4'-P-C4' energy: -137.961
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -68.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1424.190180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.190180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.190180 (E_RNA)
where:
Base-Base interactions energy: -894.669
where: short stacking energy: -434.952
Base-Backbone interact. energy: 0.120
local terms energy: -529.641112
where:
bonds (distance) C4'-P energy: -118.520
bonds (distance) P-C4' energy: -116.864
flat angles C4'-P-C4' energy: -113.710
flat angles P-C4'-P energy: -92.353
tors. eta vs tors. theta energy: -88.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -910.918560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.918560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.918560 (E_RNA)
where:
Base-Base interactions energy: -519.142
where: short stacking energy: -242.945
Base-Backbone interact. energy: -1.265
local terms energy: -390.511085
where:
bonds (distance) C4'-P energy: -115.192
bonds (distance) P-C4' energy: -115.699
flat angles C4'-P-C4' energy: -92.293
flat angles P-C4'-P energy: -72.022
tors. eta vs tors. theta energy: 4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -958.634370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.634370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.634370 (E_RNA)
where:
Base-Base interactions energy: -555.377
where: short stacking energy: -265.389
Base-Backbone interact. energy: 2.308
local terms energy: -405.565213
where:
bonds (distance) C4'-P energy: -113.643
bonds (distance) P-C4' energy: -112.718
flat angles C4'-P-C4' energy: -104.577
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -25.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2483.000140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.000140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.000140 (E_RNA)
where:
Base-Base interactions energy: -1738.602
where: short stacking energy: -705.961
Base-Backbone interact. energy: -1.884
local terms energy: -742.514332
where:
bonds (distance) C4'-P energy: -141.194
bonds (distance) P-C4' energy: -165.901
flat angles C4'-P-C4' energy: -151.584
flat angles P-C4'-P energy: -95.397
tors. eta vs tors. theta energy: -188.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2314.412568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.412568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.412568 (E_RNA)
where:
Base-Base interactions energy: -1592.518
where: short stacking energy: -660.170
Base-Backbone interact. energy: -4.305
local terms energy: -717.589680
where:
bonds (distance) C4'-P energy: -140.230
bonds (distance) P-C4' energy: -141.384
flat angles C4'-P-C4' energy: -155.140
flat angles P-C4'-P energy: -101.178
tors. eta vs tors. theta energy: -179.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2224.930882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.930882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.930882 (E_RNA)
where:
Base-Base interactions energy: -1527.106
where: short stacking energy: -627.524
Base-Backbone interact. energy: -2.248
local terms energy: -695.576757
where:
bonds (distance) C4'-P energy: -132.593
bonds (distance) P-C4' energy: -168.350
flat angles C4'-P-C4' energy: -134.302
flat angles P-C4'-P energy: -96.718
tors. eta vs tors. theta energy: -163.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2059.922665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.922665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.922665 (E_RNA)
where:
Base-Base interactions energy: -1377.354
where: short stacking energy: -642.038
Base-Backbone interact. energy: -2.877
local terms energy: -679.691681
where:
bonds (distance) C4'-P energy: -131.232
bonds (distance) P-C4' energy: -128.616
flat angles C4'-P-C4' energy: -150.058
flat angles P-C4'-P energy: -96.952
tors. eta vs tors. theta energy: -172.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1922.416800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.416800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.416800 (E_RNA)
where:
Base-Base interactions energy: -1277.085
where: short stacking energy: -559.810
Base-Backbone interact. energy: 0.400
local terms energy: -645.731857
where:
bonds (distance) C4'-P energy: -127.816
bonds (distance) P-C4' energy: -141.748
flat angles C4'-P-C4' energy: -135.039
flat angles P-C4'-P energy: -100.904
tors. eta vs tors. theta energy: -140.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1775.984653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.984653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.984653 (E_RNA)
where:
Base-Base interactions energy: -1149.810
where: short stacking energy: -513.901
Base-Backbone interact. energy: -4.232
local terms energy: -621.942926
where:
bonds (distance) C4'-P energy: -122.782
bonds (distance) P-C4' energy: -136.514
flat angles C4'-P-C4' energy: -153.082
flat angles P-C4'-P energy: -85.004
tors. eta vs tors. theta energy: -124.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1464.736154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.736154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.736154 (E_RNA)
where:
Base-Base interactions energy: -920.173
where: short stacking energy: -426.729
Base-Backbone interact. energy: 5.475
local terms energy: -550.038386
where:
bonds (distance) C4'-P energy: -110.495
bonds (distance) P-C4' energy: -149.684
flat angles C4'-P-C4' energy: -130.365
flat angles P-C4'-P energy: -75.121
tors. eta vs tors. theta energy: -84.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1296.737272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.737272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.737272 (E_RNA)
where:
Base-Base interactions energy: -797.011
where: short stacking energy: -389.549
Base-Backbone interact. energy: 2.159
local terms energy: -501.885248
where:
bonds (distance) C4'-P energy: -128.301
bonds (distance) P-C4' energy: -122.359
flat angles C4'-P-C4' energy: -95.101
flat angles P-C4'-P energy: -73.664
tors. eta vs tors. theta energy: -82.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -916.842456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.842456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.842456 (E_RNA)
where:
Base-Base interactions energy: -495.514
where: short stacking energy: -275.273
Base-Backbone interact. energy: -1.764
local terms energy: -419.563843
where:
bonds (distance) C4'-P energy: -113.405
bonds (distance) P-C4' energy: -120.638
flat angles C4'-P-C4' energy: -101.988
flat angles P-C4'-P energy: -70.415
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -959.818824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.818824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.818824 (E_RNA)
where:
Base-Base interactions energy: -565.440
where: short stacking energy: -268.931
Base-Backbone interact. energy: -0.936
local terms energy: -393.442641
where:
bonds (distance) C4'-P energy: -101.513
bonds (distance) P-C4' energy: -122.148
flat angles C4'-P-C4' energy: -107.199
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2458.573591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.573591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.573591 (E_RNA)
where:
Base-Base interactions energy: -1708.251
where: short stacking energy: -718.166
Base-Backbone interact. energy: -0.220
local terms energy: -750.102109
where:
bonds (distance) C4'-P energy: -132.686
bonds (distance) P-C4' energy: -143.007
flat angles C4'-P-C4' energy: -161.174
flat angles P-C4'-P energy: -124.313
tors. eta vs tors. theta energy: -188.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2371.323928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.323928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.323928 (E_RNA)
where:
Base-Base interactions energy: -1608.340
where: short stacking energy: -705.195
Base-Backbone interact. energy: -3.587
local terms energy: -759.396937
where:
bonds (distance) C4'-P energy: -139.946
bonds (distance) P-C4' energy: -157.213
flat angles C4'-P-C4' energy: -153.689
flat angles P-C4'-P energy: -113.471
tors. eta vs tors. theta energy: -195.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2249.567737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.567737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.567737 (E_RNA)
where:
Base-Base interactions energy: -1558.085
where: short stacking energy: -672.829
Base-Backbone interact. energy: -2.438
local terms energy: -689.044648
where:
bonds (distance) C4'-P energy: -122.861
bonds (distance) P-C4' energy: -137.475
flat angles C4'-P-C4' energy: -146.394
flat angles P-C4'-P energy: -105.414
tors. eta vs tors. theta energy: -176.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2048.782577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.782577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.782577 (E_RNA)
where:
Base-Base interactions energy: -1395.258
where: short stacking energy: -653.226
Base-Backbone interact. energy: -4.424
local terms energy: -649.100000
where:
bonds (distance) C4'-P energy: -136.769
bonds (distance) P-C4' energy: -124.204
flat angles C4'-P-C4' energy: -135.326
flat angles P-C4'-P energy: -97.380
tors. eta vs tors. theta energy: -155.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1951.694362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.694362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.694362 (E_RNA)
where:
Base-Base interactions energy: -1291.520
where: short stacking energy: -594.079
Base-Backbone interact. energy: -2.366
local terms energy: -657.808476
where:
bonds (distance) C4'-P energy: -118.618
bonds (distance) P-C4' energy: -139.372
flat angles C4'-P-C4' energy: -141.405
flat angles P-C4'-P energy: -107.795
tors. eta vs tors. theta energy: -150.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1774.179097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.179097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.179097 (E_RNA)
where:
Base-Base interactions energy: -1186.264
where: short stacking energy: -510.887
Base-Backbone interact. energy: -0.628
local terms energy: -587.287061
where:
bonds (distance) C4'-P energy: -114.697
bonds (distance) P-C4' energy: -132.816
flat angles C4'-P-C4' energy: -120.124
flat angles P-C4'-P energy: -89.731
tors. eta vs tors. theta energy: -129.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1416.320757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.320757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.320757 (E_RNA)
where:
Base-Base interactions energy: -899.310
where: short stacking energy: -430.700
Base-Backbone interact. energy: 0.194
local terms energy: -517.204350
where:
bonds (distance) C4'-P energy: -107.744
bonds (distance) P-C4' energy: -110.154
flat angles C4'-P-C4' energy: -125.554
flat angles P-C4'-P energy: -90.615
tors. eta vs tors. theta energy: -83.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1300.246083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.246083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.246083 (E_RNA)
where:
Base-Base interactions energy: -790.644
where: short stacking energy: -416.559
Base-Backbone interact. energy: -0.703
local terms energy: -508.898681
where:
bonds (distance) C4'-P energy: -106.417
bonds (distance) P-C4' energy: -114.447
flat angles C4'-P-C4' energy: -119.712
flat angles P-C4'-P energy: -84.682
tors. eta vs tors. theta energy: -83.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -940.071889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.071889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.071889 (E_RNA)
where:
Base-Base interactions energy: -547.940
where: short stacking energy: -260.326
Base-Backbone interact. energy: 8.465
local terms energy: -400.596646
where:
bonds (distance) C4'-P energy: -111.657
bonds (distance) P-C4' energy: -128.118
flat angles C4'-P-C4' energy: -116.066
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -998.770030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.770030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.770030 (E_RNA)
where:
Base-Base interactions energy: -559.137
where: short stacking energy: -281.877
Base-Backbone interact. energy: -0.603
local terms energy: -439.030562
where:
bonds (distance) C4'-P energy: -125.660
bonds (distance) P-C4' energy: -116.206
flat angles C4'-P-C4' energy: -96.429
flat angles P-C4'-P energy: -65.848
tors. eta vs tors. theta energy: -34.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2488.390311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.390311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.390311 (E_RNA)
where:
Base-Base interactions energy: -1751.666
where: short stacking energy: -743.365
Base-Backbone interact. energy: -3.031
local terms energy: -733.693502
where:
bonds (distance) C4'-P energy: -143.909
bonds (distance) P-C4' energy: -130.344
flat angles C4'-P-C4' energy: -161.178
flat angles P-C4'-P energy: -97.953
tors. eta vs tors. theta energy: -200.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2352.574541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.574541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.574541 (E_RNA)
where:
Base-Base interactions energy: -1604.097
where: short stacking energy: -671.904
Base-Backbone interact. energy: -3.913
local terms energy: -744.565355
where:
bonds (distance) C4'-P energy: -141.203
bonds (distance) P-C4' energy: -154.719
flat angles C4'-P-C4' energy: -142.690
flat angles P-C4'-P energy: -111.135
tors. eta vs tors. theta energy: -194.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2259.383066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.383066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.383066 (E_RNA)
where:
Base-Base interactions energy: -1570.546
where: short stacking energy: -665.775
Base-Backbone interact. energy: -5.458
local terms energy: -683.379267
where:
bonds (distance) C4'-P energy: -134.359
bonds (distance) P-C4' energy: -127.868
flat angles C4'-P-C4' energy: -148.356
flat angles P-C4'-P energy: -95.114
tors. eta vs tors. theta energy: -177.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2106.934334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.934334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.934334 (E_RNA)
where:
Base-Base interactions energy: -1419.558
where: short stacking energy: -645.288
Base-Backbone interact. energy: -4.138
local terms energy: -683.238926
where:
bonds (distance) C4'-P energy: -137.610
bonds (distance) P-C4' energy: -125.673
flat angles C4'-P-C4' energy: -140.532
flat angles P-C4'-P energy: -104.981
tors. eta vs tors. theta energy: -174.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2007.245048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.245048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.245048 (E_RNA)
where:
Base-Base interactions energy: -1308.786
where: short stacking energy: -574.374
Base-Backbone interact. energy: -2.867
local terms energy: -695.592748
where:
bonds (distance) C4'-P energy: -142.126
bonds (distance) P-C4' energy: -150.508
flat angles C4'-P-C4' energy: -137.451
flat angles P-C4'-P energy: -98.309
tors. eta vs tors. theta energy: -167.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1772.585468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.585468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.585468 (E_RNA)
where:
Base-Base interactions energy: -1161.908
where: short stacking energy: -496.607
Base-Backbone interact. energy: -1.910
local terms energy: -608.767699
where:
bonds (distance) C4'-P energy: -115.120
bonds (distance) P-C4' energy: -139.497
flat angles C4'-P-C4' energy: -138.497
flat angles P-C4'-P energy: -95.622
tors. eta vs tors. theta energy: -120.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1449.157108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.157108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.157108 (E_RNA)
where:
Base-Base interactions energy: -906.487
where: short stacking energy: -406.082
Base-Backbone interact. energy: 2.272
local terms energy: -544.941787
where:
bonds (distance) C4'-P energy: -101.509
bonds (distance) P-C4' energy: -124.762
flat angles C4'-P-C4' energy: -138.235
flat angles P-C4'-P energy: -98.833
tors. eta vs tors. theta energy: -81.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1265.144885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.144885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.144885 (E_RNA)
where:
Base-Base interactions energy: -758.051
where: short stacking energy: -386.250
Base-Backbone interact. energy: 1.991
local terms energy: -509.084219
where:
bonds (distance) C4'-P energy: -124.071
bonds (distance) P-C4' energy: -132.532
flat angles C4'-P-C4' energy: -103.129
flat angles P-C4'-P energy: -78.924
tors. eta vs tors. theta energy: -70.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -966.403022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.403022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.403022 (E_RNA)
where:
Base-Base interactions energy: -538.674
where: short stacking energy: -301.236
Base-Backbone interact. energy: -1.723
local terms energy: -426.006036
where:
bonds (distance) C4'-P energy: -98.543
bonds (distance) P-C4' energy: -128.473
flat angles C4'-P-C4' energy: -101.717
flat angles P-C4'-P energy: -71.935
tors. eta vs tors. theta energy: -25.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -892.508979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.508979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.508979 (E_RNA)
where:
Base-Base interactions energy: -509.621
where: short stacking energy: -268.931
Base-Backbone interact. energy: 10.728
local terms energy: -393.616164
where:
bonds (distance) C4'-P energy: -96.929
bonds (distance) P-C4' energy: -128.908
flat angles C4'-P-C4' energy: -103.785
flat angles P-C4'-P energy: -59.976
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2539.803168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.803168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.803168 (E_RNA)
where:
Base-Base interactions energy: -1756.520
where: short stacking energy: -722.084
Base-Backbone interact. energy: -1.482
local terms energy: -781.800960
where:
bonds (distance) C4'-P energy: -146.935
bonds (distance) P-C4' energy: -150.399
flat angles C4'-P-C4' energy: -162.540
flat angles P-C4'-P energy: -103.987
tors. eta vs tors. theta energy: -217.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2383.366555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.366555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.366555 (E_RNA)
where:
Base-Base interactions energy: -1606.776
where: short stacking energy: -711.635
Base-Backbone interact. energy: -0.412
local terms energy: -776.178809
where:
bonds (distance) C4'-P energy: -140.992
bonds (distance) P-C4' energy: -141.119
flat angles C4'-P-C4' energy: -160.781
flat angles P-C4'-P energy: -128.429
tors. eta vs tors. theta energy: -204.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2280.598274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.598274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.598274 (E_RNA)
where:
Base-Base interactions energy: -1579.356
where: short stacking energy: -680.737
Base-Backbone interact. energy: -4.329
local terms energy: -696.913907
where:
bonds (distance) C4'-P energy: -123.278
bonds (distance) P-C4' energy: -133.363
flat angles C4'-P-C4' energy: -164.185
flat angles P-C4'-P energy: -95.516
tors. eta vs tors. theta energy: -180.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2095.437387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.437387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.437387 (E_RNA)
where:
Base-Base interactions energy: -1403.432
where: short stacking energy: -626.130
Base-Backbone interact. energy: -1.635
local terms energy: -690.370258
where:
bonds (distance) C4'-P energy: -122.722
bonds (distance) P-C4' energy: -156.487
flat angles C4'-P-C4' energy: -148.103
flat angles P-C4'-P energy: -90.169
tors. eta vs tors. theta energy: -172.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2000.976959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.976959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.976959 (E_RNA)
where:
Base-Base interactions energy: -1314.123
where: short stacking energy: -600.226
Base-Backbone interact. energy: -2.773
local terms energy: -684.080978
where:
bonds (distance) C4'-P energy: -136.944
bonds (distance) P-C4' energy: -137.092
flat angles C4'-P-C4' energy: -145.111
flat angles P-C4'-P energy: -101.210
tors. eta vs tors. theta energy: -163.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1809.564427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.564427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.564427 (E_RNA)
where:
Base-Base interactions energy: -1223.208
where: short stacking energy: -523.384
Base-Backbone interact. energy: -3.375
local terms energy: -582.981060
where:
bonds (distance) C4'-P energy: -109.453
bonds (distance) P-C4' energy: -119.031
flat angles C4'-P-C4' energy: -145.655
flat angles P-C4'-P energy: -72.198
tors. eta vs tors. theta energy: -136.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1438.547820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.547820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.547820 (E_RNA)
where:
Base-Base interactions energy: -888.183
where: short stacking energy: -406.468
Base-Backbone interact. energy: -1.386
local terms energy: -548.978378
where:
bonds (distance) C4'-P energy: -108.999
bonds (distance) P-C4' energy: -141.351
flat angles C4'-P-C4' energy: -132.693
flat angles P-C4'-P energy: -71.723
tors. eta vs tors. theta energy: -94.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1264.138404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.138404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.138404 (E_RNA)
where:
Base-Base interactions energy: -774.657
where: short stacking energy: -384.022
Base-Backbone interact. energy: -1.788
local terms energy: -487.693382
where:
bonds (distance) C4'-P energy: -117.769
bonds (distance) P-C4' energy: -122.090
flat angles C4'-P-C4' energy: -109.455
flat angles P-C4'-P energy: -70.213
tors. eta vs tors. theta energy: -68.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1033.914380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.914380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.914380 (E_RNA)
where:
Base-Base interactions energy: -542.854
where: short stacking energy: -289.097
Base-Backbone interact. energy: -0.548
local terms energy: -490.512038
where:
bonds (distance) C4'-P energy: -107.499
bonds (distance) P-C4' energy: -139.521
flat angles C4'-P-C4' energy: -124.319
flat angles P-C4'-P energy: -72.562
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -824.567289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.567289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.567289 (E_RNA)
where:
Base-Base interactions energy: -450.436
where: short stacking energy: -265.450
Base-Backbone interact. energy: 3.567
local terms energy: -377.697802
where:
bonds (distance) C4'-P energy: -87.645
bonds (distance) P-C4' energy: -134.323
flat angles C4'-P-C4' energy: -100.364
flat angles P-C4'-P energy: -44.902
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2529.498794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.498794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.498794 (E_RNA)
where:
Base-Base interactions energy: -1761.286
where: short stacking energy: -723.819
Base-Backbone interact. energy: -3.301
local terms energy: -764.911075
where:
bonds (distance) C4'-P energy: -131.477
bonds (distance) P-C4' energy: -156.515
flat angles C4'-P-C4' energy: -164.720
flat angles P-C4'-P energy: -112.772
tors. eta vs tors. theta energy: -199.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2360.337251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.337251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.337251 (E_RNA)
where:
Base-Base interactions energy: -1645.475
where: short stacking energy: -709.501
Base-Backbone interact. energy: 0.605
local terms energy: -715.466668
where:
bonds (distance) C4'-P energy: -132.041
bonds (distance) P-C4' energy: -143.586
flat angles C4'-P-C4' energy: -148.727
flat angles P-C4'-P energy: -95.476
tors. eta vs tors. theta energy: -195.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2290.699454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.699454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.699454 (E_RNA)
where:
Base-Base interactions energy: -1602.337
where: short stacking energy: -682.935
Base-Backbone interact. energy: -1.100
local terms energy: -687.262980
where:
bonds (distance) C4'-P energy: -121.544
bonds (distance) P-C4' energy: -125.819
flat angles C4'-P-C4' energy: -153.135
flat angles P-C4'-P energy: -111.292
tors. eta vs tors. theta energy: -175.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2098.103646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.103646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.103646 (E_RNA)
where:
Base-Base interactions energy: -1412.174
where: short stacking energy: -641.723
Base-Backbone interact. energy: 0.105
local terms energy: -686.034923
where:
bonds (distance) C4'-P energy: -143.541
bonds (distance) P-C4' energy: -135.383
flat angles C4'-P-C4' energy: -135.591
flat angles P-C4'-P energy: -91.843
tors. eta vs tors. theta energy: -179.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1916.736713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.736713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.736713 (E_RNA)
where:
Base-Base interactions energy: -1287.744
where: short stacking energy: -576.877
Base-Backbone interact. energy: 2.078
local terms energy: -631.071274
where:
bonds (distance) C4'-P energy: -124.484
bonds (distance) P-C4' energy: -139.625
flat angles C4'-P-C4' energy: -134.935
flat angles P-C4'-P energy: -94.214
tors. eta vs tors. theta energy: -137.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1831.338852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.338852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.338852 (E_RNA)
where:
Base-Base interactions energy: -1202.927
where: short stacking energy: -482.000
Base-Backbone interact. energy: -3.861
local terms energy: -624.550809
where:
bonds (distance) C4'-P energy: -132.552
bonds (distance) P-C4' energy: -130.020
flat angles C4'-P-C4' energy: -155.298
flat angles P-C4'-P energy: -93.158
tors. eta vs tors. theta energy: -113.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1350.882871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.882871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.882871 (E_RNA)
where:
Base-Base interactions energy: -813.489
where: short stacking energy: -398.612
Base-Backbone interact. energy: 1.927
local terms energy: -539.321203
where:
bonds (distance) C4'-P energy: -139.909
bonds (distance) P-C4' energy: -128.715
flat angles C4'-P-C4' energy: -115.443
flat angles P-C4'-P energy: -78.371
tors. eta vs tors. theta energy: -76.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1373.162226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.162226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.162226 (E_RNA)
where:
Base-Base interactions energy: -851.854
where: short stacking energy: -383.763
Base-Backbone interact. energy: 0.834
local terms energy: -522.141956
where:
bonds (distance) C4'-P energy: -117.335
bonds (distance) P-C4' energy: -133.211
flat angles C4'-P-C4' energy: -120.199
flat angles P-C4'-P energy: -78.467
tors. eta vs tors. theta energy: -72.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1017.426588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.426588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.426588 (E_RNA)
where:
Base-Base interactions energy: -550.632
where: short stacking energy: -281.155
Base-Backbone interact. energy: 1.700
local terms energy: -468.494272
where:
bonds (distance) C4'-P energy: -116.812
bonds (distance) P-C4' energy: -129.645
flat angles C4'-P-C4' energy: -115.730
flat angles P-C4'-P energy: -73.065
tors. eta vs tors. theta energy: -33.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -819.481514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.481514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.481514 (E_RNA)
where:
Base-Base interactions energy: -427.955
where: short stacking energy: -235.752
Base-Backbone interact. energy: 2.513
local terms energy: -394.039020
where:
bonds (distance) C4'-P energy: -107.576
bonds (distance) P-C4' energy: -105.906
flat angles C4'-P-C4' energy: -111.825
flat angles P-C4'-P energy: -61.001
tors. eta vs tors. theta energy: -7.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2498.061123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.061123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.061123 (E_RNA)
where:
Base-Base interactions energy: -1712.617
where: short stacking energy: -714.339
Base-Backbone interact. energy: -5.352
local terms energy: -780.091777
where:
bonds (distance) C4'-P energy: -153.985
bonds (distance) P-C4' energy: -163.393
flat angles C4'-P-C4' energy: -172.310
flat angles P-C4'-P energy: -96.037
tors. eta vs tors. theta energy: -194.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2354.136530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.136530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.136530 (E_RNA)
where:
Base-Base interactions energy: -1643.240
where: short stacking energy: -668.419
Base-Backbone interact. energy: -5.393
local terms energy: -705.503916
where:
bonds (distance) C4'-P energy: -132.419
bonds (distance) P-C4' energy: -134.567
flat angles C4'-P-C4' energy: -155.780
flat angles P-C4'-P energy: -99.205
tors. eta vs tors. theta energy: -183.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2346.493353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.493353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.493353 (E_RNA)
where:
Base-Base interactions energy: -1580.590
where: short stacking energy: -708.184
Base-Backbone interact. energy: -1.633
local terms energy: -764.270318
where:
bonds (distance) C4'-P energy: -143.000
bonds (distance) P-C4' energy: -152.969
flat angles C4'-P-C4' energy: -162.527
flat angles P-C4'-P energy: -114.002
tors. eta vs tors. theta energy: -191.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2104.360150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.360150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.360150 (E_RNA)
where:
Base-Base interactions energy: -1420.507
where: short stacking energy: -621.050
Base-Backbone interact. energy: -1.080
local terms energy: -682.773323
where:
bonds (distance) C4'-P energy: -118.384
bonds (distance) P-C4' energy: -138.885
flat angles C4'-P-C4' energy: -153.424
flat angles P-C4'-P energy: -103.781
tors. eta vs tors. theta energy: -168.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1960.019825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.019825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.019825 (E_RNA)
where:
Base-Base interactions energy: -1289.337
where: short stacking energy: -589.672
Base-Backbone interact. energy: -3.315
local terms energy: -667.367836
where:
bonds (distance) C4'-P energy: -134.379
bonds (distance) P-C4' energy: -138.703
flat angles C4'-P-C4' energy: -152.630
flat angles P-C4'-P energy: -77.857
tors. eta vs tors. theta energy: -163.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1817.627501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.627501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.627501 (E_RNA)
where:
Base-Base interactions energy: -1216.209
where: short stacking energy: -548.866
Base-Backbone interact. energy: 0.205
local terms energy: -601.624056
where:
bonds (distance) C4'-P energy: -120.987
bonds (distance) P-C4' energy: -106.618
flat angles C4'-P-C4' energy: -148.770
flat angles P-C4'-P energy: -96.139
tors. eta vs tors. theta energy: -129.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1370.403041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.403041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.403041 (E_RNA)
where:
Base-Base interactions energy: -811.629
where: short stacking energy: -409.745
Base-Backbone interact. energy: -2.354
local terms energy: -556.420282
where:
bonds (distance) C4'-P energy: -132.176
bonds (distance) P-C4' energy: -133.648
flat angles C4'-P-C4' energy: -143.995
flat angles P-C4'-P energy: -69.187
tors. eta vs tors. theta energy: -77.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1353.866150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.866150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.866150 (E_RNA)
where:
Base-Base interactions energy: -862.095
where: short stacking energy: -431.713
Base-Backbone interact. energy: -0.876
local terms energy: -490.894868
where:
bonds (distance) C4'-P energy: -106.798
bonds (distance) P-C4' energy: -107.644
flat angles C4'-P-C4' energy: -117.939
flat angles P-C4'-P energy: -79.229
tors. eta vs tors. theta energy: -79.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1012.807572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.807572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.807572 (E_RNA)
where:
Base-Base interactions energy: -584.032
where: short stacking energy: -314.209
Base-Backbone interact. energy: -3.041
local terms energy: -425.735098
where:
bonds (distance) C4'-P energy: -83.134
bonds (distance) P-C4' energy: -115.291
flat angles C4'-P-C4' energy: -107.937
flat angles P-C4'-P energy: -82.660
tors. eta vs tors. theta energy: -36.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -773.757125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.757125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.757125 (E_RNA)
where:
Base-Base interactions energy: -374.780
where: short stacking energy: -208.388
Base-Backbone interact. energy: 2.034
local terms energy: -401.011496
where:
bonds (distance) C4'-P energy: -117.904
bonds (distance) P-C4' energy: -123.720
flat angles C4'-P-C4' energy: -112.973
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: 16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2497.586512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.586512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.586512 (E_RNA)
where:
Base-Base interactions energy: -1735.561
where: short stacking energy: -724.481
Base-Backbone interact. energy: -1.790
local terms energy: -760.235867
where:
bonds (distance) C4'-P energy: -148.936
bonds (distance) P-C4' energy: -146.026
flat angles C4'-P-C4' energy: -153.872
flat angles P-C4'-P energy: -117.557
tors. eta vs tors. theta energy: -193.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2323.166897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.166897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.166897 (E_RNA)
where:
Base-Base interactions energy: -1602.692
where: short stacking energy: -664.473
Base-Backbone interact. energy: -1.327
local terms energy: -719.147937
where:
bonds (distance) C4'-P energy: -141.771
bonds (distance) P-C4' energy: -140.981
flat angles C4'-P-C4' energy: -153.536
flat angles P-C4'-P energy: -102.897
tors. eta vs tors. theta energy: -179.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2288.793758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.793758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.793758 (E_RNA)
where:
Base-Base interactions energy: -1533.508
where: short stacking energy: -683.425
Base-Backbone interact. energy: -3.234
local terms energy: -752.052512
where:
bonds (distance) C4'-P energy: -143.206
bonds (distance) P-C4' energy: -147.086
flat angles C4'-P-C4' energy: -166.711
flat angles P-C4'-P energy: -91.748
tors. eta vs tors. theta energy: -203.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2160.506261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.506261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.506261 (E_RNA)
where:
Base-Base interactions energy: -1441.123
where: short stacking energy: -638.101
Base-Backbone interact. energy: -6.138
local terms energy: -713.245514
where:
bonds (distance) C4'-P energy: -132.755
bonds (distance) P-C4' energy: -134.998
flat angles C4'-P-C4' energy: -153.822
flat angles P-C4'-P energy: -111.822
tors. eta vs tors. theta energy: -179.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1917.148707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.148707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.148707 (E_RNA)
where:
Base-Base interactions energy: -1242.885
where: short stacking energy: -557.532
Base-Backbone interact. energy: -5.782
local terms energy: -668.482156
where:
bonds (distance) C4'-P energy: -149.121
bonds (distance) P-C4' energy: -135.206
flat angles C4'-P-C4' energy: -158.269
flat angles P-C4'-P energy: -96.972
tors. eta vs tors. theta energy: -128.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1862.460890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.460890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.460890 (E_RNA)
where:
Base-Base interactions energy: -1220.098
where: short stacking energy: -543.234
Base-Backbone interact. energy: -0.280
local terms energy: -642.083397
where:
bonds (distance) C4'-P energy: -125.442
bonds (distance) P-C4' energy: -145.982
flat angles C4'-P-C4' energy: -141.445
flat angles P-C4'-P energy: -83.906
tors. eta vs tors. theta energy: -145.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1460.228231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.228231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.228231 (E_RNA)
where:
Base-Base interactions energy: -895.605
where: short stacking energy: -406.842
Base-Backbone interact. energy: 2.943
local terms energy: -567.566034
where:
bonds (distance) C4'-P energy: -136.092
bonds (distance) P-C4' energy: -129.981
flat angles C4'-P-C4' energy: -126.100
flat angles P-C4'-P energy: -93.573
tors. eta vs tors. theta energy: -81.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1251.609124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.609124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.609124 (E_RNA)
where:
Base-Base interactions energy: -741.427
where: short stacking energy: -390.495
Base-Backbone interact. energy: -2.964
local terms energy: -507.217941
where:
bonds (distance) C4'-P energy: -117.637
bonds (distance) P-C4' energy: -130.495
flat angles C4'-P-C4' energy: -128.066
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -945.463336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.463336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.463336 (E_RNA)
where:
Base-Base interactions energy: -473.035
where: short stacking energy: -236.471
Base-Backbone interact. energy: -4.208
local terms energy: -468.220095
where:
bonds (distance) C4'-P energy: -128.632
bonds (distance) P-C4' energy: -132.647
flat angles C4'-P-C4' energy: -115.717
flat angles P-C4'-P energy: -73.280
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -846.104759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.104759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.104759 (E_RNA)
where:
Base-Base interactions energy: -422.322
where: short stacking energy: -238.625
Base-Backbone interact. energy: -2.677
local terms energy: -421.105347
where:
bonds (distance) C4'-P energy: -133.300
bonds (distance) P-C4' energy: -119.448
flat angles C4'-P-C4' energy: -93.103
flat angles P-C4'-P energy: -67.439
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2516.933315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.933315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.933315 (E_RNA)
where:
Base-Base interactions energy: -1740.158
where: short stacking energy: -724.334
Base-Backbone interact. energy: -0.661
local terms energy: -776.114214
where:
bonds (distance) C4'-P energy: -148.294
bonds (distance) P-C4' energy: -154.669
flat angles C4'-P-C4' energy: -168.805
flat angles P-C4'-P energy: -115.010
tors. eta vs tors. theta energy: -189.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2307.758414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.758414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.758414 (E_RNA)
where:
Base-Base interactions energy: -1600.989
where: short stacking energy: -705.895
Base-Backbone interact. energy: -2.743
local terms energy: -704.026410
where:
bonds (distance) C4'-P energy: -140.505
bonds (distance) P-C4' energy: -139.710
flat angles C4'-P-C4' energy: -128.468
flat angles P-C4'-P energy: -108.745
tors. eta vs tors. theta energy: -186.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2313.927264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.927264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.927264 (E_RNA)
where:
Base-Base interactions energy: -1561.314
where: short stacking energy: -692.837
Base-Backbone interact. energy: -2.166
local terms energy: -750.447830
where:
bonds (distance) C4'-P energy: -132.277
bonds (distance) P-C4' energy: -163.199
flat angles C4'-P-C4' energy: -164.678
flat angles P-C4'-P energy: -91.747
tors. eta vs tors. theta energy: -198.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2124.503897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.503897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.503897 (E_RNA)
where:
Base-Base interactions energy: -1425.060
where: short stacking energy: -663.147
Base-Backbone interact. energy: -4.248
local terms energy: -695.195972
where:
bonds (distance) C4'-P energy: -132.364
bonds (distance) P-C4' energy: -135.325
flat angles C4'-P-C4' energy: -146.587
flat angles P-C4'-P energy: -95.736
tors. eta vs tors. theta energy: -185.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1884.958450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.958450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.958450 (E_RNA)
where:
Base-Base interactions energy: -1259.277
where: short stacking energy: -564.009
Base-Backbone interact. energy: -1.904
local terms energy: -623.777251
where:
bonds (distance) C4'-P energy: -109.026
bonds (distance) P-C4' energy: -131.954
flat angles C4'-P-C4' energy: -139.752
flat angles P-C4'-P energy: -87.808
tors. eta vs tors. theta energy: -155.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1783.537838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.537838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.537838 (E_RNA)
where:
Base-Base interactions energy: -1200.330
where: short stacking energy: -547.782
Base-Backbone interact. energy: 4.518
local terms energy: -587.726584
where:
bonds (distance) C4'-P energy: -110.820
bonds (distance) P-C4' energy: -133.556
flat angles C4'-P-C4' energy: -140.948
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -129.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1501.558353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.558353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.558353 (E_RNA)
where:
Base-Base interactions energy: -962.700
where: short stacking energy: -455.045
Base-Backbone interact. energy: 0.291
local terms energy: -539.149251
where:
bonds (distance) C4'-P energy: -104.599
bonds (distance) P-C4' energy: -120.260
flat angles C4'-P-C4' energy: -133.825
flat angles P-C4'-P energy: -80.272
tors. eta vs tors. theta energy: -100.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1250.274937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.274937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.274937 (E_RNA)
where:
Base-Base interactions energy: -742.650
where: short stacking energy: -384.708
Base-Backbone interact. energy: 4.659
local terms energy: -512.284612
where:
bonds (distance) C4'-P energy: -123.246
bonds (distance) P-C4' energy: -125.802
flat angles C4'-P-C4' energy: -128.039
flat angles P-C4'-P energy: -65.567
tors. eta vs tors. theta energy: -69.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1029.302189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.302189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.302189 (E_RNA)
where:
Base-Base interactions energy: -552.869
where: short stacking energy: -241.762
Base-Backbone interact. energy: 1.188
local terms energy: -477.621733
where:
bonds (distance) C4'-P energy: -122.159
bonds (distance) P-C4' energy: -130.584
flat angles C4'-P-C4' energy: -126.591
flat angles P-C4'-P energy: -73.189
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -791.147766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.147766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.147766 (E_RNA)
where:
Base-Base interactions energy: -389.192
where: short stacking energy: -224.915
Base-Backbone interact. energy: 6.302
local terms energy: -408.257290
where:
bonds (distance) C4'-P energy: -92.743
bonds (distance) P-C4' energy: -126.166
flat angles C4'-P-C4' energy: -103.228
flat angles P-C4'-P energy: -78.410
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2486.460492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.460492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.460492 (E_RNA)
where:
Base-Base interactions energy: -1707.411
where: short stacking energy: -711.422
Base-Backbone interact. energy: 4.930
local terms energy: -783.979479
where:
bonds (distance) C4'-P energy: -136.478
bonds (distance) P-C4' energy: -150.496
flat angles C4'-P-C4' energy: -181.896
flat angles P-C4'-P energy: -109.164
tors. eta vs tors. theta energy: -205.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2375.464402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.464402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.464402 (E_RNA)
where:
Base-Base interactions energy: -1656.562
where: short stacking energy: -721.304
Base-Backbone interact. energy: -6.362
local terms energy: -712.539551
where:
bonds (distance) C4'-P energy: -131.293
bonds (distance) P-C4' energy: -147.295
flat angles C4'-P-C4' energy: -143.027
flat angles P-C4'-P energy: -96.483
tors. eta vs tors. theta energy: -194.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2315.018893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.018893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.018893 (E_RNA)
where:
Base-Base interactions energy: -1587.555
where: short stacking energy: -690.806
Base-Backbone interact. energy: 0.241
local terms energy: -727.705562
where:
bonds (distance) C4'-P energy: -123.522
bonds (distance) P-C4' energy: -127.382
flat angles C4'-P-C4' energy: -156.269
flat angles P-C4'-P energy: -110.898
tors. eta vs tors. theta energy: -209.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2079.062896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.062896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.062896 (E_RNA)
where:
Base-Base interactions energy: -1381.576
where: short stacking energy: -631.787
Base-Backbone interact. energy: -1.056
local terms energy: -696.430082
where:
bonds (distance) C4'-P energy: -132.879
bonds (distance) P-C4' energy: -125.589
flat angles C4'-P-C4' energy: -161.770
flat angles P-C4'-P energy: -103.024
tors. eta vs tors. theta energy: -173.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1918.190999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.190999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.190999 (E_RNA)
where:
Base-Base interactions energy: -1312.240
where: short stacking energy: -588.634
Base-Backbone interact. energy: -3.496
local terms energy: -602.455569
where:
bonds (distance) C4'-P energy: -107.399
bonds (distance) P-C4' energy: -120.829
flat angles C4'-P-C4' energy: -143.293
flat angles P-C4'-P energy: -91.939
tors. eta vs tors. theta energy: -138.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1767.368701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.368701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.368701 (E_RNA)
where:
Base-Base interactions energy: -1185.053
where: short stacking energy: -524.626
Base-Backbone interact. energy: 3.700
local terms energy: -586.016169
where:
bonds (distance) C4'-P energy: -120.617
bonds (distance) P-C4' energy: -115.110
flat angles C4'-P-C4' energy: -140.616
flat angles P-C4'-P energy: -86.826
tors. eta vs tors. theta energy: -122.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1505.597593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.597593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.597593 (E_RNA)
where:
Base-Base interactions energy: -933.954
where: short stacking energy: -442.421
Base-Backbone interact. energy: 2.379
local terms energy: -574.022544
where:
bonds (distance) C4'-P energy: -128.775
bonds (distance) P-C4' energy: -133.252
flat angles C4'-P-C4' energy: -129.701
flat angles P-C4'-P energy: -76.872
tors. eta vs tors. theta energy: -105.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1305.666683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.666683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.666683 (E_RNA)
where:
Base-Base interactions energy: -808.289
where: short stacking energy: -391.956
Base-Backbone interact. energy: -2.032
local terms energy: -495.346147
where:
bonds (distance) C4'-P energy: -105.970
bonds (distance) P-C4' energy: -148.242
flat angles C4'-P-C4' energy: -94.716
flat angles P-C4'-P energy: -68.857
tors. eta vs tors. theta energy: -77.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1073.865909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.865909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.865909 (E_RNA)
where:
Base-Base interactions energy: -598.047
where: short stacking energy: -308.831
Base-Backbone interact. energy: -5.626
local terms energy: -470.192292
where:
bonds (distance) C4'-P energy: -99.957
bonds (distance) P-C4' energy: -114.919
flat angles C4'-P-C4' energy: -119.159
flat angles P-C4'-P energy: -76.001
tors. eta vs tors. theta energy: -60.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -845.270017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.270017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.270017 (E_RNA)
where:
Base-Base interactions energy: -473.276
where: short stacking energy: -258.821
Base-Backbone interact. energy: 2.454
local terms energy: -374.447675
where:
bonds (distance) C4'-P energy: -102.982
bonds (distance) P-C4' energy: -125.427
flat angles C4'-P-C4' energy: -104.328
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2488.152467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.152467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.152467 (E_RNA)
where:
Base-Base interactions energy: -1727.228
where: short stacking energy: -721.500
Base-Backbone interact. energy: -1.329
local terms energy: -759.594711
where:
bonds (distance) C4'-P energy: -146.179
bonds (distance) P-C4' energy: -142.454
flat angles C4'-P-C4' energy: -159.422
flat angles P-C4'-P energy: -112.123
tors. eta vs tors. theta energy: -199.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2379.366794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.366794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.366794 (E_RNA)
where:
Base-Base interactions energy: -1634.790
where: short stacking energy: -719.206
Base-Backbone interact. energy: 5.120
local terms energy: -749.696585
where:
bonds (distance) C4'-P energy: -141.931
bonds (distance) P-C4' energy: -150.490
flat angles C4'-P-C4' energy: -163.471
flat angles P-C4'-P energy: -91.466
tors. eta vs tors. theta energy: -202.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2286.960078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.960078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.960078 (E_RNA)
where:
Base-Base interactions energy: -1540.065
where: short stacking energy: -679.057
Base-Backbone interact. energy: -2.342
local terms energy: -744.552951
where:
bonds (distance) C4'-P energy: -156.738
bonds (distance) P-C4' energy: -149.111
flat angles C4'-P-C4' energy: -146.619
flat angles P-C4'-P energy: -85.227
tors. eta vs tors. theta energy: -206.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2031.119554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.119554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.119554 (E_RNA)
where:
Base-Base interactions energy: -1352.865
where: short stacking energy: -618.125
Base-Backbone interact. energy: 1.241
local terms energy: -679.495666
where:
bonds (distance) C4'-P energy: -122.084
bonds (distance) P-C4' energy: -130.085
flat angles C4'-P-C4' energy: -151.119
flat angles P-C4'-P energy: -100.885
tors. eta vs tors. theta energy: -175.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1873.859917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.859917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.859917 (E_RNA)
where:
Base-Base interactions energy: -1238.507
where: short stacking energy: -577.047
Base-Backbone interact. energy: 0.413
local terms energy: -635.766590
where:
bonds (distance) C4'-P energy: -123.610
bonds (distance) P-C4' energy: -149.927
flat angles C4'-P-C4' energy: -128.893
flat angles P-C4'-P energy: -86.996
tors. eta vs tors. theta energy: -146.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1860.938991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.938991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.938991 (E_RNA)
where:
Base-Base interactions energy: -1208.328
where: short stacking energy: -554.362
Base-Backbone interact. energy: -2.054
local terms energy: -650.556935
where:
bonds (distance) C4'-P energy: -127.401
bonds (distance) P-C4' energy: -130.550
flat angles C4'-P-C4' energy: -156.139
flat angles P-C4'-P energy: -88.327
tors. eta vs tors. theta energy: -148.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1466.413820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.413820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.413820 (E_RNA)
where:
Base-Base interactions energy: -941.703
where: short stacking energy: -419.677
Base-Backbone interact. energy: 5.681
local terms energy: -530.392328
where:
bonds (distance) C4'-P energy: -133.326
bonds (distance) P-C4' energy: -133.141
flat angles C4'-P-C4' energy: -123.419
flat angles P-C4'-P energy: -57.201
tors. eta vs tors. theta energy: -83.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1353.990463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.990463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.990463 (E_RNA)
where:
Base-Base interactions energy: -841.321
where: short stacking energy: -388.551
Base-Backbone interact. energy: 1.026
local terms energy: -513.695563
where:
bonds (distance) C4'-P energy: -120.554
bonds (distance) P-C4' energy: -137.602
flat angles C4'-P-C4' energy: -122.711
flat angles P-C4'-P energy: -72.117
tors. eta vs tors. theta energy: -60.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1122.144783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.144783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.144783 (E_RNA)
where:
Base-Base interactions energy: -679.111
where: short stacking energy: -353.224
Base-Backbone interact. energy: 2.599
local terms energy: -445.632809
where:
bonds (distance) C4'-P energy: -118.995
bonds (distance) P-C4' energy: -118.285
flat angles C4'-P-C4' energy: -107.095
flat angles P-C4'-P energy: -56.844
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -850.462836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.462836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.462836 (E_RNA)
where:
Base-Base interactions energy: -449.215
where: short stacking energy: -242.432
Base-Backbone interact. energy: -2.102
local terms energy: -399.145635
where:
bonds (distance) C4'-P energy: -117.890
bonds (distance) P-C4' energy: -120.402
flat angles C4'-P-C4' energy: -91.381
flat angles P-C4'-P energy: -72.845
tors. eta vs tors. theta energy: 3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2486.288046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.288046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.288046 (E_RNA)
where:
Base-Base interactions energy: -1721.977
where: short stacking energy: -703.789
Base-Backbone interact. energy: 2.907
local terms energy: -767.217405
where:
bonds (distance) C4'-P energy: -158.542
bonds (distance) P-C4' energy: -155.808
flat angles C4'-P-C4' energy: -152.907
flat angles P-C4'-P energy: -102.929
tors. eta vs tors. theta energy: -197.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2352.835065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.835065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.835065 (E_RNA)
where:
Base-Base interactions energy: -1627.586
where: short stacking energy: -696.975
Base-Backbone interact. energy: -3.863
local terms energy: -721.386324
where:
bonds (distance) C4'-P energy: -118.931
bonds (distance) P-C4' energy: -140.906
flat angles C4'-P-C4' energy: -170.140
flat angles P-C4'-P energy: -103.246
tors. eta vs tors. theta energy: -188.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2264.190257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.190257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.190257 (E_RNA)
where:
Base-Base interactions energy: -1558.039
where: short stacking energy: -691.240
Base-Backbone interact. energy: 2.436
local terms energy: -708.587272
where:
bonds (distance) C4'-P energy: -132.988
bonds (distance) P-C4' energy: -129.183
flat angles C4'-P-C4' energy: -156.426
flat angles P-C4'-P energy: -113.401
tors. eta vs tors. theta energy: -176.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2056.094846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.094846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.094846 (E_RNA)
where:
Base-Base interactions energy: -1364.922
where: short stacking energy: -596.118
Base-Backbone interact. energy: 0.597
local terms energy: -691.769765
where:
bonds (distance) C4'-P energy: -153.506
bonds (distance) P-C4' energy: -117.365
flat angles C4'-P-C4' energy: -143.598
flat angles P-C4'-P energy: -101.107
tors. eta vs tors. theta energy: -176.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1886.845590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.845590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.845590 (E_RNA)
where:
Base-Base interactions energy: -1235.979
where: short stacking energy: -565.566
Base-Backbone interact. energy: -2.999
local terms energy: -647.867719
where:
bonds (distance) C4'-P energy: -133.826
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -138.236
flat angles P-C4'-P energy: -92.210
tors. eta vs tors. theta energy: -147.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1811.640165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.640165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.640165 (E_RNA)
where:
Base-Base interactions energy: -1160.723
where: short stacking energy: -503.661
Base-Backbone interact. energy: -0.466
local terms energy: -650.450750
where:
bonds (distance) C4'-P energy: -133.452
bonds (distance) P-C4' energy: -136.454
flat angles C4'-P-C4' energy: -146.863
flat angles P-C4'-P energy: -106.189
tors. eta vs tors. theta energy: -127.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1422.818337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.818337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.818337 (E_RNA)
where:
Base-Base interactions energy: -918.937
where: short stacking energy: -406.941
Base-Backbone interact. energy: -3.178
local terms energy: -500.704100
where:
bonds (distance) C4'-P energy: -127.290
bonds (distance) P-C4' energy: -121.595
flat angles C4'-P-C4' energy: -103.708
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -71.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1273.711713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.711713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.711713 (E_RNA)
where:
Base-Base interactions energy: -777.218
where: short stacking energy: -373.004
Base-Backbone interact. energy: -0.548
local terms energy: -495.945995
where:
bonds (distance) C4'-P energy: -120.728
bonds (distance) P-C4' energy: -120.523
flat angles C4'-P-C4' energy: -129.839
flat angles P-C4'-P energy: -77.783
tors. eta vs tors. theta energy: -47.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1098.160484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.160484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.160484 (E_RNA)
where:
Base-Base interactions energy: -632.764
where: short stacking energy: -296.851
Base-Backbone interact. energy: 6.420
local terms energy: -471.816751
where:
bonds (distance) C4'-P energy: -115.849
bonds (distance) P-C4' energy: -136.331
flat angles C4'-P-C4' energy: -104.947
flat angles P-C4'-P energy: -57.275
tors. eta vs tors. theta energy: -57.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -857.478063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.478063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.478063 (E_RNA)
where:
Base-Base interactions energy: -470.138
where: short stacking energy: -248.908
Base-Backbone interact. energy: -0.300
local terms energy: -387.039923
where:
bonds (distance) C4'-P energy: -100.586
bonds (distance) P-C4' energy: -111.038
flat angles C4'-P-C4' energy: -95.016
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2482.902797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.902797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.902797 (E_RNA)
where:
Base-Base interactions energy: -1730.063
where: short stacking energy: -727.232
Base-Backbone interact. energy: -2.757
local terms energy: -750.082195
where:
bonds (distance) C4'-P energy: -132.121
bonds (distance) P-C4' energy: -151.199
flat angles C4'-P-C4' energy: -167.097
flat angles P-C4'-P energy: -104.865
tors. eta vs tors. theta energy: -194.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2368.148502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.148502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.148502 (E_RNA)
where:
Base-Base interactions energy: -1655.431
where: short stacking energy: -700.269
Base-Backbone interact. energy: -7.653
local terms energy: -705.063991
where:
bonds (distance) C4'-P energy: -133.645
bonds (distance) P-C4' energy: -138.897
flat angles C4'-P-C4' energy: -152.438
flat angles P-C4'-P energy: -100.342
tors. eta vs tors. theta energy: -179.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2254.499900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.499900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.499900 (E_RNA)
where:
Base-Base interactions energy: -1543.623
where: short stacking energy: -645.395
Base-Backbone interact. energy: -6.045
local terms energy: -704.832724
where:
bonds (distance) C4'-P energy: -144.760
bonds (distance) P-C4' energy: -150.299
flat angles C4'-P-C4' energy: -148.623
flat angles P-C4'-P energy: -88.460
tors. eta vs tors. theta energy: -172.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2119.692440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.692440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.692440 (E_RNA)
where:
Base-Base interactions energy: -1444.015
where: short stacking energy: -604.503
Base-Backbone interact. energy: -3.405
local terms energy: -672.273301
where:
bonds (distance) C4'-P energy: -119.463
bonds (distance) P-C4' energy: -140.735
flat angles C4'-P-C4' energy: -158.782
flat angles P-C4'-P energy: -93.620
tors. eta vs tors. theta energy: -159.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1920.682784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.682784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.682784 (E_RNA)
where:
Base-Base interactions energy: -1255.031
where: short stacking energy: -572.375
Base-Backbone interact. energy: -2.003
local terms energy: -663.648136
where:
bonds (distance) C4'-P energy: -135.739
bonds (distance) P-C4' energy: -144.013
flat angles C4'-P-C4' energy: -143.856
flat angles P-C4'-P energy: -85.864
tors. eta vs tors. theta energy: -154.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1799.049808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.049808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.049808 (E_RNA)
where:
Base-Base interactions energy: -1191.915
where: short stacking energy: -532.527
Base-Backbone interact. energy: 2.213
local terms energy: -609.347364
where:
bonds (distance) C4'-P energy: -117.002
bonds (distance) P-C4' energy: -131.487
flat angles C4'-P-C4' energy: -145.713
flat angles P-C4'-P energy: -77.186
tors. eta vs tors. theta energy: -137.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1406.525083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.525083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.525083 (E_RNA)
where:
Base-Base interactions energy: -875.170
where: short stacking energy: -401.714
Base-Backbone interact. energy: -3.838
local terms energy: -527.517723
where:
bonds (distance) C4'-P energy: -136.682
bonds (distance) P-C4' energy: -114.941
flat angles C4'-P-C4' energy: -123.152
flat angles P-C4'-P energy: -86.701
tors. eta vs tors. theta energy: -66.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1283.425391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.425391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.425391 (E_RNA)
where:
Base-Base interactions energy: -777.212
where: short stacking energy: -366.062
Base-Backbone interact. energy: -3.522
local terms energy: -502.690992
where:
bonds (distance) C4'-P energy: -125.523
bonds (distance) P-C4' energy: -136.836
flat angles C4'-P-C4' energy: -113.041
flat angles P-C4'-P energy: -70.019
tors. eta vs tors. theta energy: -57.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1068.692753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.692753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.692753 (E_RNA)
where:
Base-Base interactions energy: -617.744
where: short stacking energy: -287.383
Base-Backbone interact. energy: -1.959
local terms energy: -448.989686
where:
bonds (distance) C4'-P energy: -114.737
bonds (distance) P-C4' energy: -120.645
flat angles C4'-P-C4' energy: -110.673
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -32.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -859.051493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.051493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.051493 (E_RNA)
where:
Base-Base interactions energy: -436.147
where: short stacking energy: -244.835
Base-Backbone interact. energy: 1.348
local terms energy: -424.252649
where:
bonds (distance) C4'-P energy: -103.563
bonds (distance) P-C4' energy: -126.900
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2507.794489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.794489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.794489 (E_RNA)
where:
Base-Base interactions energy: -1731.940
where: short stacking energy: -728.500
Base-Backbone interact. energy: -2.416
local terms energy: -773.439000
where:
bonds (distance) C4'-P energy: -158.028
bonds (distance) P-C4' energy: -133.651
flat angles C4'-P-C4' energy: -171.345
flat angles P-C4'-P energy: -110.573
tors. eta vs tors. theta energy: -199.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2382.328629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.328629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.328629 (E_RNA)
where:
Base-Base interactions energy: -1663.867
where: short stacking energy: -740.219
Base-Backbone interact. energy: -3.738
local terms energy: -714.723516
where:
bonds (distance) C4'-P energy: -142.165
bonds (distance) P-C4' energy: -132.894
flat angles C4'-P-C4' energy: -154.403
flat angles P-C4'-P energy: -98.212
tors. eta vs tors. theta energy: -187.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2243.850238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.850238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.850238 (E_RNA)
where:
Base-Base interactions energy: -1535.584
where: short stacking energy: -667.492
Base-Backbone interact. energy: -2.952
local terms energy: -705.314014
where:
bonds (distance) C4'-P energy: -139.568
bonds (distance) P-C4' energy: -138.829
flat angles C4'-P-C4' energy: -147.965
flat angles P-C4'-P energy: -92.112
tors. eta vs tors. theta energy: -186.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2086.834513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.834513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.834513 (E_RNA)
where:
Base-Base interactions energy: -1383.958
where: short stacking energy: -618.071
Base-Backbone interact. energy: -4.126
local terms energy: -698.750727
where:
bonds (distance) C4'-P energy: -151.296
bonds (distance) P-C4' energy: -151.058
flat angles C4'-P-C4' energy: -134.023
flat angles P-C4'-P energy: -98.316
tors. eta vs tors. theta energy: -164.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1937.001894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.001894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.001894 (E_RNA)
where:
Base-Base interactions energy: -1271.665
where: short stacking energy: -566.176
Base-Backbone interact. energy: -3.716
local terms energy: -661.621048
where:
bonds (distance) C4'-P energy: -121.935
bonds (distance) P-C4' energy: -149.240
flat angles C4'-P-C4' energy: -137.662
flat angles P-C4'-P energy: -94.358
tors. eta vs tors. theta energy: -158.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1859.716980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.716980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.716980 (E_RNA)
where:
Base-Base interactions energy: -1196.963
where: short stacking energy: -532.681
Base-Backbone interact. energy: 1.416
local terms energy: -664.169947
where:
bonds (distance) C4'-P energy: -131.254
bonds (distance) P-C4' energy: -132.198
flat angles C4'-P-C4' energy: -157.411
flat angles P-C4'-P energy: -97.400
tors. eta vs tors. theta energy: -145.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1404.383640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.383640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.383640 (E_RNA)
where:
Base-Base interactions energy: -901.130
where: short stacking energy: -399.502
Base-Backbone interact. energy: 0.559
local terms energy: -503.812475
where:
bonds (distance) C4'-P energy: -112.787
bonds (distance) P-C4' energy: -113.640
flat angles C4'-P-C4' energy: -123.038
flat angles P-C4'-P energy: -91.319
tors. eta vs tors. theta energy: -63.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1262.331166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.331166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.331166 (E_RNA)
where:
Base-Base interactions energy: -755.291
where: short stacking energy: -368.997
Base-Backbone interact. energy: 1.032
local terms energy: -508.072034
where:
bonds (distance) C4'-P energy: -124.944
bonds (distance) P-C4' energy: -139.799
flat angles C4'-P-C4' energy: -108.318
flat angles P-C4'-P energy: -75.477
tors. eta vs tors. theta energy: -59.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1075.062724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.062724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.062724 (E_RNA)
where:
Base-Base interactions energy: -637.843
where: short stacking energy: -308.920
Base-Backbone interact. energy: 2.739
local terms energy: -439.958741
where:
bonds (distance) C4'-P energy: -126.736
bonds (distance) P-C4' energy: -121.906
flat angles C4'-P-C4' energy: -101.221
flat angles P-C4'-P energy: -50.912
tors. eta vs tors. theta energy: -39.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -844.589532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.589532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.589532 (E_RNA)
where:
Base-Base interactions energy: -450.087
where: short stacking energy: -248.532
Base-Backbone interact. energy: 2.141
local terms energy: -396.643554
where:
bonds (distance) C4'-P energy: -115.325
bonds (distance) P-C4' energy: -126.994
flat angles C4'-P-C4' energy: -98.365
flat angles P-C4'-P energy: -49.449
tors. eta vs tors. theta energy: -6.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2520.143372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.143372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.143372 (E_RNA)
where:
Base-Base interactions energy: -1735.136
where: short stacking energy: -736.994
Base-Backbone interact. energy: 0.309
local terms energy: -785.316442
where:
bonds (distance) C4'-P energy: -142.188
bonds (distance) P-C4' energy: -152.161
flat angles C4'-P-C4' energy: -174.935
flat angles P-C4'-P energy: -114.367
tors. eta vs tors. theta energy: -201.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2321.708997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.708997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.708997 (E_RNA)
where:
Base-Base interactions energy: -1598.413
where: short stacking energy: -676.342
Base-Backbone interact. energy: -2.038
local terms energy: -721.257508
where:
bonds (distance) C4'-P energy: -139.240
bonds (distance) P-C4' energy: -129.650
flat angles C4'-P-C4' energy: -157.175
flat angles P-C4'-P energy: -117.939
tors. eta vs tors. theta energy: -177.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2298.466436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.466436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.466436 (E_RNA)
where:
Base-Base interactions energy: -1576.749
where: short stacking energy: -700.791
Base-Backbone interact. energy: -0.907
local terms energy: -720.810239
where:
bonds (distance) C4'-P energy: -126.078
bonds (distance) P-C4' energy: -133.235
flat angles C4'-P-C4' energy: -158.208
flat angles P-C4'-P energy: -94.202
tors. eta vs tors. theta energy: -209.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2136.014248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.014248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.014248 (E_RNA)
where:
Base-Base interactions energy: -1465.536
where: short stacking energy: -626.919
Base-Backbone interact. energy: -3.518
local terms energy: -666.959873
where:
bonds (distance) C4'-P energy: -126.900
bonds (distance) P-C4' energy: -130.953
flat angles C4'-P-C4' energy: -146.422
flat angles P-C4'-P energy: -90.700
tors. eta vs tors. theta energy: -171.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1904.789871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.789871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.789871 (E_RNA)
where:
Base-Base interactions energy: -1231.441
where: short stacking energy: -566.656
Base-Backbone interact. energy: -1.896
local terms energy: -671.452609
where:
bonds (distance) C4'-P energy: -127.868
bonds (distance) P-C4' energy: -141.135
flat angles C4'-P-C4' energy: -150.127
flat angles P-C4'-P energy: -92.778
tors. eta vs tors. theta energy: -159.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1881.813825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.813825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.813825 (E_RNA)
where:
Base-Base interactions energy: -1230.494
where: short stacking energy: -537.653
Base-Backbone interact. energy: -2.465
local terms energy: -648.855531
where:
bonds (distance) C4'-P energy: -120.805
bonds (distance) P-C4' energy: -147.765
flat angles C4'-P-C4' energy: -154.360
flat angles P-C4'-P energy: -89.250
tors. eta vs tors. theta energy: -136.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1458.110768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.110768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.110768 (E_RNA)
where:
Base-Base interactions energy: -919.585
where: short stacking energy: -426.028
Base-Backbone interact. energy: -1.098
local terms energy: -537.428120
where:
bonds (distance) C4'-P energy: -118.727
bonds (distance) P-C4' energy: -132.415
flat angles C4'-P-C4' energy: -129.684
flat angles P-C4'-P energy: -87.593
tors. eta vs tors. theta energy: -69.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1313.718053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.718053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.718053 (E_RNA)
where:
Base-Base interactions energy: -799.802
where: short stacking energy: -376.938
Base-Backbone interact. energy: -1.927
local terms energy: -511.988779
where:
bonds (distance) C4'-P energy: -128.208
bonds (distance) P-C4' energy: -125.050
flat angles C4'-P-C4' energy: -118.599
flat angles P-C4'-P energy: -72.721
tors. eta vs tors. theta energy: -67.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1184.027076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.027076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.027076 (E_RNA)
where:
Base-Base interactions energy: -710.220
where: short stacking energy: -354.176
Base-Backbone interact. energy: 2.847
local terms energy: -476.654452
where:
bonds (distance) C4'-P energy: -105.729
bonds (distance) P-C4' energy: -123.252
flat angles C4'-P-C4' energy: -121.994
flat angles P-C4'-P energy: -67.615
tors. eta vs tors. theta energy: -58.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -818.172998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.172998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.172998 (E_RNA)
where:
Base-Base interactions energy: -430.035
where: short stacking energy: -213.153
Base-Backbone interact. energy: -2.329
local terms energy: -385.808386
where:
bonds (distance) C4'-P energy: -116.025
bonds (distance) P-C4' energy: -122.356
flat angles C4'-P-C4' energy: -83.888
flat angles P-C4'-P energy: -68.010
tors. eta vs tors. theta energy: 4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2511.697977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.697977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.697977 (E_RNA)
where:
Base-Base interactions energy: -1726.465
where: short stacking energy: -708.795
Base-Backbone interact. energy: -2.691
local terms energy: -782.542001
where:
bonds (distance) C4'-P energy: -134.528
bonds (distance) P-C4' energy: -159.397
flat angles C4'-P-C4' energy: -175.315
flat angles P-C4'-P energy: -108.200
tors. eta vs tors. theta energy: -205.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2312.272890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.272890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.272890 (E_RNA)
where:
Base-Base interactions energy: -1587.501
where: short stacking energy: -658.059
Base-Backbone interact. energy: -3.608
local terms energy: -721.164508
where:
bonds (distance) C4'-P energy: -144.477
bonds (distance) P-C4' energy: -138.429
flat angles C4'-P-C4' energy: -157.784
flat angles P-C4'-P energy: -105.034
tors. eta vs tors. theta energy: -175.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2347.025504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.025504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.025504 (E_RNA)
where:
Base-Base interactions energy: -1611.654
where: short stacking energy: -699.370
Base-Backbone interact. energy: -1.780
local terms energy: -733.590969
where:
bonds (distance) C4'-P energy: -125.965
bonds (distance) P-C4' energy: -136.088
flat angles C4'-P-C4' energy: -158.656
flat angles P-C4'-P energy: -107.961
tors. eta vs tors. theta energy: -204.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2246.017774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.017774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.017774 (E_RNA)
where:
Base-Base interactions energy: -1517.801
where: short stacking energy: -679.012
Base-Backbone interact. energy: -2.509
local terms energy: -725.707441
where:
bonds (distance) C4'-P energy: -135.297
bonds (distance) P-C4' energy: -140.305
flat angles C4'-P-C4' energy: -155.415
flat angles P-C4'-P energy: -112.404
tors. eta vs tors. theta energy: -182.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1958.273690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.273690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.273690 (E_RNA)
where:
Base-Base interactions energy: -1305.795
where: short stacking energy: -620.192
Base-Backbone interact. energy: 0.366
local terms energy: -652.845248
where:
bonds (distance) C4'-P energy: -128.294
bonds (distance) P-C4' energy: -137.242
flat angles C4'-P-C4' energy: -137.252
flat angles P-C4'-P energy: -90.983
tors. eta vs tors. theta energy: -159.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1872.913385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.913385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.913385 (E_RNA)
where:
Base-Base interactions energy: -1268.918
where: short stacking energy: -539.040
Base-Backbone interact. energy: 0.503
local terms energy: -604.497614
where:
bonds (distance) C4'-P energy: -118.500
bonds (distance) P-C4' energy: -134.965
flat angles C4'-P-C4' energy: -133.383
flat angles P-C4'-P energy: -94.395
tors. eta vs tors. theta energy: -123.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1451.904612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.904612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.904612 (E_RNA)
where:
Base-Base interactions energy: -917.043
where: short stacking energy: -404.214
Base-Backbone interact. energy: -1.336
local terms energy: -533.525668
where:
bonds (distance) C4'-P energy: -124.361
bonds (distance) P-C4' energy: -134.114
flat angles C4'-P-C4' energy: -130.789
flat angles P-C4'-P energy: -65.609
tors. eta vs tors. theta energy: -78.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1290.334606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.334606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.334606 (E_RNA)
where:
Base-Base interactions energy: -821.138
where: short stacking energy: -374.261
Base-Backbone interact. energy: -0.762
local terms energy: -468.434736
where:
bonds (distance) C4'-P energy: -96.737
bonds (distance) P-C4' energy: -118.639
flat angles C4'-P-C4' energy: -100.563
flat angles P-C4'-P energy: -84.273
tors. eta vs tors. theta energy: -68.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1118.184046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.184046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.184046 (E_RNA)
where:
Base-Base interactions energy: -720.326
where: short stacking energy: -363.144
Base-Backbone interact. energy: -0.990
local terms energy: -396.868166
where:
bonds (distance) C4'-P energy: -97.404
bonds (distance) P-C4' energy: -86.292
flat angles C4'-P-C4' energy: -109.067
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -52.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -878.191680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.191680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.191680 (E_RNA)
where:
Base-Base interactions energy: -471.218
where: short stacking energy: -245.166
Base-Backbone interact. energy: -2.482
local terms energy: -404.491441
where:
bonds (distance) C4'-P energy: -122.680
bonds (distance) P-C4' energy: -104.264
flat angles C4'-P-C4' energy: -105.554
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2486.162636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.162636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.162636 (E_RNA)
where:
Base-Base interactions energy: -1711.290
where: short stacking energy: -744.519
Base-Backbone interact. energy: 2.348
local terms energy: -777.220599
where:
bonds (distance) C4'-P energy: -142.798
bonds (distance) P-C4' energy: -141.136
flat angles C4'-P-C4' energy: -166.525
flat angles P-C4'-P energy: -120.763
tors. eta vs tors. theta energy: -205.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2357.158415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.158415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.158415 (E_RNA)
where:
Base-Base interactions energy: -1607.335
where: short stacking energy: -692.890
Base-Backbone interact. energy: -6.390
local terms energy: -743.433002
where:
bonds (distance) C4'-P energy: -131.647
bonds (distance) P-C4' energy: -147.425
flat angles C4'-P-C4' energy: -160.145
flat angles P-C4'-P energy: -120.418
tors. eta vs tors. theta energy: -183.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2248.245816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.245816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.245816 (E_RNA)
where:
Base-Base interactions energy: -1539.058
where: short stacking energy: -665.395
Base-Backbone interact. energy: -0.156
local terms energy: -709.031678
where:
bonds (distance) C4'-P energy: -135.932
bonds (distance) P-C4' energy: -136.216
flat angles C4'-P-C4' energy: -148.711
flat angles P-C4'-P energy: -95.978
tors. eta vs tors. theta energy: -192.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2148.495811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.495811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.495811 (E_RNA)
where:
Base-Base interactions energy: -1448.581
where: short stacking energy: -652.589
Base-Backbone interact. energy: -2.610
local terms energy: -697.304910
where:
bonds (distance) C4'-P energy: -115.688
bonds (distance) P-C4' energy: -143.648
flat angles C4'-P-C4' energy: -154.663
flat angles P-C4'-P energy: -89.793
tors. eta vs tors. theta energy: -193.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1988.351184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.351184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.351184 (E_RNA)
where:
Base-Base interactions energy: -1328.702
where: short stacking energy: -596.468
Base-Backbone interact. energy: -3.833
local terms energy: -655.816564
where:
bonds (distance) C4'-P energy: -120.468
bonds (distance) P-C4' energy: -137.425
flat angles C4'-P-C4' energy: -144.644
flat angles P-C4'-P energy: -97.340
tors. eta vs tors. theta energy: -155.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1877.161709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.161709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.161709 (E_RNA)
where:
Base-Base interactions energy: -1253.389
where: short stacking energy: -539.732
Base-Backbone interact. energy: -2.543
local terms energy: -621.229998
where:
bonds (distance) C4'-P energy: -116.286
bonds (distance) P-C4' energy: -139.416
flat angles C4'-P-C4' energy: -132.462
flat angles P-C4'-P energy: -91.417
tors. eta vs tors. theta energy: -141.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1497.373088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.373088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.373088 (E_RNA)
where:
Base-Base interactions energy: -932.949
where: short stacking energy: -435.171
Base-Backbone interact. energy: 2.785
local terms energy: -567.208870
where:
bonds (distance) C4'-P energy: -136.340
bonds (distance) P-C4' energy: -131.956
flat angles C4'-P-C4' energy: -125.301
flat angles P-C4'-P energy: -99.624
tors. eta vs tors. theta energy: -73.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1352.903425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.903425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.903425 (E_RNA)
where:
Base-Base interactions energy: -844.326
where: short stacking energy: -411.951
Base-Backbone interact. energy: -2.001
local terms energy: -506.576478
where:
bonds (distance) C4'-P energy: -113.906
bonds (distance) P-C4' energy: -124.380
flat angles C4'-P-C4' energy: -99.506
flat angles P-C4'-P energy: -86.460
tors. eta vs tors. theta energy: -82.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1073.075246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.075246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.075246 (E_RNA)
where:
Base-Base interactions energy: -605.779
where: short stacking energy: -317.475
Base-Backbone interact. energy: 0.077
local terms energy: -467.373471
where:
bonds (distance) C4'-P energy: -124.873
bonds (distance) P-C4' energy: -108.538
flat angles C4'-P-C4' energy: -110.880
flat angles P-C4'-P energy: -85.030
tors. eta vs tors. theta energy: -38.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -848.901660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.901660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.901660 (E_RNA)
where:
Base-Base interactions energy: -444.149
where: short stacking energy: -225.380
Base-Backbone interact. energy: -2.817
local terms energy: -401.936178
where:
bonds (distance) C4'-P energy: -102.165
bonds (distance) P-C4' energy: -142.940
flat angles C4'-P-C4' energy: -94.673
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: 10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2496.475924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.475924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.475924 (E_RNA)
where:
Base-Base interactions energy: -1730.334
where: short stacking energy: -700.122
Base-Backbone interact. energy: 2.224
local terms energy: -768.365504
where:
bonds (distance) C4'-P energy: -123.507
bonds (distance) P-C4' energy: -161.443
flat angles C4'-P-C4' energy: -170.573
flat angles P-C4'-P energy: -117.683
tors. eta vs tors. theta energy: -195.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2350.352987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.352987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.352987 (E_RNA)
where:
Base-Base interactions energy: -1623.774
where: short stacking energy: -710.038
Base-Backbone interact. energy: -2.817
local terms energy: -723.762284
where:
bonds (distance) C4'-P energy: -121.857
bonds (distance) P-C4' energy: -144.802
flat angles C4'-P-C4' energy: -164.981
flat angles P-C4'-P energy: -102.935
tors. eta vs tors. theta energy: -189.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2305.995220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.995220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.995220 (E_RNA)
where:
Base-Base interactions energy: -1590.934
where: short stacking energy: -704.029
Base-Backbone interact. energy: 1.840
local terms energy: -716.900986
where:
bonds (distance) C4'-P energy: -126.122
bonds (distance) P-C4' energy: -122.971
flat angles C4'-P-C4' energy: -167.353
flat angles P-C4'-P energy: -89.337
tors. eta vs tors. theta energy: -211.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2125.589068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.589068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.589068 (E_RNA)
where:
Base-Base interactions energy: -1406.622
where: short stacking energy: -622.557
Base-Backbone interact. energy: -0.893
local terms energy: -718.073880
where:
bonds (distance) C4'-P energy: -137.359
bonds (distance) P-C4' energy: -132.356
flat angles C4'-P-C4' energy: -157.537
flat angles P-C4'-P energy: -107.883
tors. eta vs tors. theta energy: -182.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2026.263226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.263226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.263226 (E_RNA)
where:
Base-Base interactions energy: -1383.470
where: short stacking energy: -587.138
Base-Backbone interact. energy: -3.222
local terms energy: -639.571228
where:
bonds (distance) C4'-P energy: -126.790
bonds (distance) P-C4' energy: -133.877
flat angles C4'-P-C4' energy: -138.382
flat angles P-C4'-P energy: -95.809
tors. eta vs tors. theta energy: -144.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1850.366494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.366494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.366494 (E_RNA)
where:
Base-Base interactions energy: -1222.340
where: short stacking energy: -520.259
Base-Backbone interact. energy: 0.709
local terms energy: -628.735523
where:
bonds (distance) C4'-P energy: -121.711
bonds (distance) P-C4' energy: -129.691
flat angles C4'-P-C4' energy: -152.160
flat angles P-C4'-P energy: -93.944
tors. eta vs tors. theta energy: -131.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1518.653604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.653604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.653604 (E_RNA)
where:
Base-Base interactions energy: -967.726
where: short stacking energy: -464.778
Base-Backbone interact. energy: -4.759
local terms energy: -546.168385
where:
bonds (distance) C4'-P energy: -108.134
bonds (distance) P-C4' energy: -127.854
flat angles C4'-P-C4' energy: -126.019
flat angles P-C4'-P energy: -82.254
tors. eta vs tors. theta energy: -101.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1348.624934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.624934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.624934 (E_RNA)
where:
Base-Base interactions energy: -860.570
where: short stacking energy: -416.968
Base-Backbone interact. energy: 0.018
local terms energy: -488.073636
where:
bonds (distance) C4'-P energy: -104.172
bonds (distance) P-C4' energy: -126.204
flat angles C4'-P-C4' energy: -116.268
flat angles P-C4'-P energy: -64.359
tors. eta vs tors. theta energy: -77.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -982.990555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.990555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.990555 (E_RNA)
where:
Base-Base interactions energy: -543.735
where: short stacking energy: -272.343
Base-Backbone interact. energy: -0.053
local terms energy: -439.202613
where:
bonds (distance) C4'-P energy: -108.224
bonds (distance) P-C4' energy: -118.567
flat angles C4'-P-C4' energy: -120.609
flat angles P-C4'-P energy: -66.698
tors. eta vs tors. theta energy: -25.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -857.455425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.455425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.455425 (E_RNA)
where:
Base-Base interactions energy: -447.098
where: short stacking energy: -211.638
Base-Backbone interact. energy: 1.510
local terms energy: -411.867417
where:
bonds (distance) C4'-P energy: -113.424
bonds (distance) P-C4' energy: -131.954
flat angles C4'-P-C4' energy: -110.830
flat angles P-C4'-P energy: -53.762
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2516.895966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.895966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.895966 (E_RNA)
where:
Base-Base interactions energy: -1739.897
where: short stacking energy: -721.200
Base-Backbone interact. energy: -4.132
local terms energy: -772.867353
where:
bonds (distance) C4'-P energy: -147.284
bonds (distance) P-C4' energy: -160.248
flat angles C4'-P-C4' energy: -156.705
flat angles P-C4'-P energy: -103.092
tors. eta vs tors. theta energy: -205.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2363.278245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.278245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.278245 (E_RNA)
where:
Base-Base interactions energy: -1619.449
where: short stacking energy: -711.241
Base-Backbone interact. energy: -1.474
local terms energy: -742.355643
where:
bonds (distance) C4'-P energy: -157.963
bonds (distance) P-C4' energy: -126.849
flat angles C4'-P-C4' energy: -162.741
flat angles P-C4'-P energy: -90.267
tors. eta vs tors. theta energy: -204.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2290.162978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.162978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.162978 (E_RNA)
where:
Base-Base interactions energy: -1564.071
where: short stacking energy: -660.706
Base-Backbone interact. energy: -5.315
local terms energy: -720.776253
where:
bonds (distance) C4'-P energy: -134.118
bonds (distance) P-C4' energy: -136.459
flat angles C4'-P-C4' energy: -166.234
flat angles P-C4'-P energy: -106.623
tors. eta vs tors. theta energy: -177.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2200.398090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.398090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.398090 (E_RNA)
where:
Base-Base interactions energy: -1487.266
where: short stacking energy: -661.990
Base-Backbone interact. energy: -2.385
local terms energy: -710.747925
where:
bonds (distance) C4'-P energy: -137.597
bonds (distance) P-C4' energy: -132.941
flat angles C4'-P-C4' energy: -161.807
flat angles P-C4'-P energy: -107.069
tors. eta vs tors. theta energy: -171.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2007.968354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.968354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.968354 (E_RNA)
where:
Base-Base interactions energy: -1327.920
where: short stacking energy: -613.104
Base-Backbone interact. energy: -2.231
local terms energy: -677.817565
where:
bonds (distance) C4'-P energy: -148.766
bonds (distance) P-C4' energy: -137.688
flat angles C4'-P-C4' energy: -149.037
flat angles P-C4'-P energy: -87.510
tors. eta vs tors. theta energy: -154.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1892.057021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.057021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.057021 (E_RNA)
where:
Base-Base interactions energy: -1267.815
where: short stacking energy: -541.615
Base-Backbone interact. energy: 0.296
local terms energy: -624.537945
where:
bonds (distance) C4'-P energy: -116.807
bonds (distance) P-C4' energy: -123.603
flat angles C4'-P-C4' energy: -159.557
flat angles P-C4'-P energy: -81.533
tors. eta vs tors. theta energy: -143.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1517.071350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.071350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.071350 (E_RNA)
where:
Base-Base interactions energy: -985.518
where: short stacking energy: -403.659
Base-Backbone interact. energy: 2.601
local terms energy: -534.154298
where:
bonds (distance) C4'-P energy: -118.161
bonds (distance) P-C4' energy: -151.644
flat angles C4'-P-C4' energy: -122.251
flat angles P-C4'-P energy: -67.136
tors. eta vs tors. theta energy: -74.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1355.370811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.370811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.370811 (E_RNA)
where:
Base-Base interactions energy: -863.249
where: short stacking energy: -409.666
Base-Backbone interact. energy: -1.895
local terms energy: -490.227006
where:
bonds (distance) C4'-P energy: -96.636
bonds (distance) P-C4' energy: -117.810
flat angles C4'-P-C4' energy: -123.847
flat angles P-C4'-P energy: -71.828
tors. eta vs tors. theta energy: -80.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1029.810731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.810731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.810731 (E_RNA)
where:
Base-Base interactions energy: -581.668
where: short stacking energy: -308.145
Base-Backbone interact. energy: -1.461
local terms energy: -446.682103
where:
bonds (distance) C4'-P energy: -109.677
bonds (distance) P-C4' energy: -118.981
flat angles C4'-P-C4' energy: -115.916
flat angles P-C4'-P energy: -64.372
tors. eta vs tors. theta energy: -37.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -827.487657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.487657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.487657 (E_RNA)
where:
Base-Base interactions energy: -436.684
where: short stacking energy: -220.793
Base-Backbone interact. energy: -1.975
local terms energy: -388.828935
where:
bonds (distance) C4'-P energy: -107.649
bonds (distance) P-C4' energy: -134.631
flat angles C4'-P-C4' energy: -100.819
flat angles P-C4'-P energy: -53.356
tors. eta vs tors. theta energy: 7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2522.417898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.417898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.417898 (E_RNA)
where:
Base-Base interactions energy: -1762.654
where: short stacking energy: -727.750
Base-Backbone interact. energy: -2.756
local terms energy: -757.007524
where:
bonds (distance) C4'-P energy: -148.329
bonds (distance) P-C4' energy: -139.522
flat angles C4'-P-C4' energy: -166.106
flat angles P-C4'-P energy: -108.381
tors. eta vs tors. theta energy: -194.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2372.812316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.812316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.812316 (E_RNA)
where:
Base-Base interactions energy: -1611.451
where: short stacking energy: -716.486
Base-Backbone interact. energy: -3.703
local terms energy: -757.658069
where:
bonds (distance) C4'-P energy: -140.058
bonds (distance) P-C4' energy: -138.279
flat angles C4'-P-C4' energy: -163.444
flat angles P-C4'-P energy: -108.916
tors. eta vs tors. theta energy: -206.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2267.586291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.586291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.586291 (E_RNA)
where:
Base-Base interactions energy: -1556.532
where: short stacking energy: -647.643
Base-Backbone interact. energy: 0.172
local terms energy: -711.225854
where:
bonds (distance) C4'-P energy: -136.208
bonds (distance) P-C4' energy: -138.410
flat angles C4'-P-C4' energy: -165.217
flat angles P-C4'-P energy: -88.599
tors. eta vs tors. theta energy: -182.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2131.167601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.167601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.167601 (E_RNA)
where:
Base-Base interactions energy: -1445.303
where: short stacking energy: -654.238
Base-Backbone interact. energy: -4.345
local terms energy: -681.519865
where:
bonds (distance) C4'-P energy: -120.379
bonds (distance) P-C4' energy: -153.765
flat angles C4'-P-C4' energy: -148.210
flat angles P-C4'-P energy: -85.570
tors. eta vs tors. theta energy: -173.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1961.263951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.263951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.263951 (E_RNA)
where:
Base-Base interactions energy: -1310.443
where: short stacking energy: -583.501
Base-Backbone interact. energy: 0.808
local terms energy: -651.629231
where:
bonds (distance) C4'-P energy: -133.245
bonds (distance) P-C4' energy: -134.606
flat angles C4'-P-C4' energy: -144.394
flat angles P-C4'-P energy: -79.320
tors. eta vs tors. theta energy: -160.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1873.672669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.672669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.672669 (E_RNA)
where:
Base-Base interactions energy: -1250.723
where: short stacking energy: -518.590
Base-Backbone interact. energy: -3.200
local terms energy: -619.749986
where:
bonds (distance) C4'-P energy: -123.258
bonds (distance) P-C4' energy: -119.876
flat angles C4'-P-C4' energy: -147.855
flat angles P-C4'-P energy: -96.687
tors. eta vs tors. theta energy: -132.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1559.974022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.974022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.974022 (E_RNA)
where:
Base-Base interactions energy: -983.250
where: short stacking energy: -439.029
Base-Backbone interact. energy: -0.535
local terms energy: -576.188291
where:
bonds (distance) C4'-P energy: -126.029
bonds (distance) P-C4' energy: -117.596
flat angles C4'-P-C4' energy: -147.917
flat angles P-C4'-P energy: -95.742
tors. eta vs tors. theta energy: -88.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1340.517461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.517461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.517461 (E_RNA)
where:
Base-Base interactions energy: -831.018
where: short stacking energy: -396.938
Base-Backbone interact. energy: 2.466
local terms energy: -511.966072
where:
bonds (distance) C4'-P energy: -120.104
bonds (distance) P-C4' energy: -130.826
flat angles C4'-P-C4' energy: -130.655
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -62.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -993.574668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.574668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.574668 (E_RNA)
where:
Base-Base interactions energy: -535.346
where: short stacking energy: -283.283
Base-Backbone interact. energy: 7.002
local terms energy: -465.230174
where:
bonds (distance) C4'-P energy: -136.434
bonds (distance) P-C4' energy: -124.481
flat angles C4'-P-C4' energy: -105.864
flat angles P-C4'-P energy: -83.221
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -862.420937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.420937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.420937 (E_RNA)
where:
Base-Base interactions energy: -469.333
where: short stacking energy: -249.102
Base-Backbone interact. energy: 9.851
local terms energy: -402.938712
where:
bonds (distance) C4'-P energy: -120.886
bonds (distance) P-C4' energy: -122.993
flat angles C4'-P-C4' energy: -103.834
flat angles P-C4'-P energy: -52.804
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2496.700749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.700749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.700749 (E_RNA)
where:
Base-Base interactions energy: -1763.482
where: short stacking energy: -756.377
Base-Backbone interact. energy: -0.793
local terms energy: -732.425443
where:
bonds (distance) C4'-P energy: -139.669
bonds (distance) P-C4' energy: -136.645
flat angles C4'-P-C4' energy: -159.394
flat angles P-C4'-P energy: -92.353
tors. eta vs tors. theta energy: -204.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2333.983879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.983879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.983879 (E_RNA)
where:
Base-Base interactions energy: -1599.545
where: short stacking energy: -664.051
Base-Backbone interact. energy: -2.076
local terms energy: -732.362762
where:
bonds (distance) C4'-P energy: -147.926
bonds (distance) P-C4' energy: -156.148
flat angles C4'-P-C4' energy: -151.931
flat angles P-C4'-P energy: -93.875
tors. eta vs tors. theta energy: -182.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2279.182473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.182473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.182473 (E_RNA)
where:
Base-Base interactions energy: -1553.373
where: short stacking energy: -680.281
Base-Backbone interact. energy: -2.212
local terms energy: -723.597484
where:
bonds (distance) C4'-P energy: -135.638
bonds (distance) P-C4' energy: -140.238
flat angles C4'-P-C4' energy: -154.816
flat angles P-C4'-P energy: -106.240
tors. eta vs tors. theta energy: -186.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2114.999752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.999752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.999752 (E_RNA)
where:
Base-Base interactions energy: -1426.395
where: short stacking energy: -657.783
Base-Backbone interact. energy: -0.740
local terms energy: -687.864917
where:
bonds (distance) C4'-P energy: -124.345
bonds (distance) P-C4' energy: -142.859
flat angles C4'-P-C4' energy: -149.243
flat angles P-C4'-P energy: -89.424
tors. eta vs tors. theta energy: -181.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1909.722468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.722468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.722468 (E_RNA)
where:
Base-Base interactions energy: -1278.905
where: short stacking energy: -564.080
Base-Backbone interact. energy: 1.006
local terms energy: -631.823753
where:
bonds (distance) C4'-P energy: -122.279
bonds (distance) P-C4' energy: -145.385
flat angles C4'-P-C4' energy: -144.867
flat angles P-C4'-P energy: -81.371
tors. eta vs tors. theta energy: -137.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1917.265163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.265163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.265163 (E_RNA)
where:
Base-Base interactions energy: -1266.543
where: short stacking energy: -539.427
Base-Backbone interact. energy: -3.147
local terms energy: -647.575756
where:
bonds (distance) C4'-P energy: -133.896
bonds (distance) P-C4' energy: -139.685
flat angles C4'-P-C4' energy: -157.211
flat angles P-C4'-P energy: -81.663
tors. eta vs tors. theta energy: -135.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1552.151482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.151482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.151482 (E_RNA)
where:
Base-Base interactions energy: -975.887
where: short stacking energy: -462.095
Base-Backbone interact. energy: -1.614
local terms energy: -574.650790
where:
bonds (distance) C4'-P energy: -131.612
bonds (distance) P-C4' energy: -138.916
flat angles C4'-P-C4' energy: -120.003
flat angles P-C4'-P energy: -86.759
tors. eta vs tors. theta energy: -97.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1344.900910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.900910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.900910 (E_RNA)
where:
Base-Base interactions energy: -809.239
where: short stacking energy: -394.545
Base-Backbone interact. energy: -0.285
local terms energy: -535.376908
where:
bonds (distance) C4'-P energy: -135.330
bonds (distance) P-C4' energy: -117.094
flat angles C4'-P-C4' energy: -116.426
flat angles P-C4'-P energy: -83.955
tors. eta vs tors. theta energy: -82.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1061.762457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.762457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.762457 (E_RNA)
where:
Base-Base interactions energy: -597.685
where: short stacking energy: -287.580
Base-Backbone interact. energy: 0.135
local terms energy: -464.211964
where:
bonds (distance) C4'-P energy: -121.681
bonds (distance) P-C4' energy: -126.233
flat angles C4'-P-C4' energy: -98.588
flat angles P-C4'-P energy: -75.299
tors. eta vs tors. theta energy: -42.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -880.280900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.280900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.280900 (E_RNA)
where:
Base-Base interactions energy: -478.023
where: short stacking energy: -257.630
Base-Backbone interact. energy: 2.717
local terms energy: -404.975778
where:
bonds (distance) C4'-P energy: -98.551
bonds (distance) P-C4' energy: -131.808
flat angles C4'-P-C4' energy: -98.935
flat angles P-C4'-P energy: -70.540
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2497.447880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.447880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.447880 (E_RNA)
where:
Base-Base interactions energy: -1719.718
where: short stacking energy: -729.933
Base-Backbone interact. energy: -2.774
local terms energy: -774.956219
where:
bonds (distance) C4'-P energy: -134.724
bonds (distance) P-C4' energy: -156.987
flat angles C4'-P-C4' energy: -170.125
flat angles P-C4'-P energy: -95.937
tors. eta vs tors. theta energy: -217.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2377.944160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.944160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.944160 (E_RNA)
where:
Base-Base interactions energy: -1616.318
where: short stacking energy: -681.630
Base-Backbone interact. energy: 0.994
local terms energy: -762.619983
where:
bonds (distance) C4'-P energy: -142.375
bonds (distance) P-C4' energy: -140.142
flat angles C4'-P-C4' energy: -169.950
flat angles P-C4'-P energy: -113.289
tors. eta vs tors. theta energy: -196.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2318.171264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.171264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.171264 (E_RNA)
where:
Base-Base interactions energy: -1602.094
where: short stacking energy: -678.967
Base-Backbone interact. energy: -0.449
local terms energy: -715.628592
where:
bonds (distance) C4'-P energy: -139.898
bonds (distance) P-C4' energy: -120.966
flat angles C4'-P-C4' energy: -150.094
flat angles P-C4'-P energy: -104.543
tors. eta vs tors. theta energy: -200.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2119.444010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.444010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.444010 (E_RNA)
where:
Base-Base interactions energy: -1424.547
where: short stacking energy: -601.116
Base-Backbone interact. energy: -3.485
local terms energy: -691.412178
where:
bonds (distance) C4'-P energy: -127.226
bonds (distance) P-C4' energy: -138.243
flat angles C4'-P-C4' energy: -162.158
flat angles P-C4'-P energy: -101.377
tors. eta vs tors. theta energy: -162.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1964.577686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.577686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.577686 (E_RNA)
where:
Base-Base interactions energy: -1292.440
where: short stacking energy: -596.649
Base-Backbone interact. energy: 0.063
local terms energy: -672.201092
where:
bonds (distance) C4'-P energy: -106.469
bonds (distance) P-C4' energy: -127.370
flat angles C4'-P-C4' energy: -169.882
flat angles P-C4'-P energy: -97.702
tors. eta vs tors. theta energy: -170.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1858.874440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.874440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.874440 (E_RNA)
where:
Base-Base interactions energy: -1217.931
where: short stacking energy: -514.894
Base-Backbone interact. energy: -0.655
local terms energy: -640.289120
where:
bonds (distance) C4'-P energy: -118.147
bonds (distance) P-C4' energy: -146.217
flat angles C4'-P-C4' energy: -150.616
flat angles P-C4'-P energy: -91.638
tors. eta vs tors. theta energy: -133.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1510.161082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.161082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.161082 (E_RNA)
where:
Base-Base interactions energy: -992.416
where: short stacking energy: -428.813
Base-Backbone interact. energy: 4.558
local terms energy: -522.303678
where:
bonds (distance) C4'-P energy: -115.208
bonds (distance) P-C4' energy: -147.295
flat angles C4'-P-C4' energy: -113.904
flat angles P-C4'-P energy: -74.884
tors. eta vs tors. theta energy: -71.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1300.295251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.295251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.295251 (E_RNA)
where:
Base-Base interactions energy: -790.966
where: short stacking energy: -371.895
Base-Backbone interact. energy: -1.745
local terms energy: -507.584566
where:
bonds (distance) C4'-P energy: -111.138
bonds (distance) P-C4' energy: -135.433
flat angles C4'-P-C4' energy: -123.140
flat angles P-C4'-P energy: -65.728
tors. eta vs tors. theta energy: -72.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1077.125503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.125503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.125503 (E_RNA)
where:
Base-Base interactions energy: -605.424
where: short stacking energy: -285.215
Base-Backbone interact. energy: 2.709
local terms energy: -474.411116
where:
bonds (distance) C4'-P energy: -130.410
bonds (distance) P-C4' energy: -115.487
flat angles C4'-P-C4' energy: -122.174
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -31.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -894.723198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.723198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.723198 (E_RNA)
where:
Base-Base interactions energy: -474.994
where: short stacking energy: -257.927
Base-Backbone interact. energy: 3.737
local terms energy: -423.465419
where:
bonds (distance) C4'-P energy: -113.988
bonds (distance) P-C4' energy: -130.825
flat angles C4'-P-C4' energy: -113.368
flat angles P-C4'-P energy: -45.718
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2510.619158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.619158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.619158 (E_RNA)
where:
Base-Base interactions energy: -1731.483
where: short stacking energy: -742.333
Base-Backbone interact. energy: -1.899
local terms energy: -777.237878
where:
bonds (distance) C4'-P energy: -136.438
bonds (distance) P-C4' energy: -140.865
flat angles C4'-P-C4' energy: -170.523
flat angles P-C4'-P energy: -112.981
tors. eta vs tors. theta energy: -216.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2364.021191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.021191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.021191 (E_RNA)
where:
Base-Base interactions energy: -1621.051
where: short stacking energy: -680.087
Base-Backbone interact. energy: -1.281
local terms energy: -741.688770
where:
bonds (distance) C4'-P energy: -126.482
bonds (distance) P-C4' energy: -145.584
flat angles C4'-P-C4' energy: -169.380
flat angles P-C4'-P energy: -105.709
tors. eta vs tors. theta energy: -194.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2352.882614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.882614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.882614 (E_RNA)
where:
Base-Base interactions energy: -1610.930
where: short stacking energy: -683.860
Base-Backbone interact. energy: -1.283
local terms energy: -740.669927
where:
bonds (distance) C4'-P energy: -124.359
bonds (distance) P-C4' energy: -154.427
flat angles C4'-P-C4' energy: -167.132
flat angles P-C4'-P energy: -90.800
tors. eta vs tors. theta energy: -203.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2118.831902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.831902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.831902 (E_RNA)
where:
Base-Base interactions energy: -1408.000
where: short stacking energy: -647.083
Base-Backbone interact. energy: -4.026
local terms energy: -706.805324
where:
bonds (distance) C4'-P energy: -127.459
bonds (distance) P-C4' energy: -146.628
flat angles C4'-P-C4' energy: -144.537
flat angles P-C4'-P energy: -88.927
tors. eta vs tors. theta energy: -199.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1942.390434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.390434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.390434 (E_RNA)
where:
Base-Base interactions energy: -1273.854
where: short stacking energy: -572.409
Base-Backbone interact. energy: 3.711
local terms energy: -672.247252
where:
bonds (distance) C4'-P energy: -130.540
bonds (distance) P-C4' energy: -131.130
flat angles C4'-P-C4' energy: -157.042
flat angles P-C4'-P energy: -99.967
tors. eta vs tors. theta energy: -153.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1789.922512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.922512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.922512 (E_RNA)
where:
Base-Base interactions energy: -1186.301
where: short stacking energy: -521.563
Base-Backbone interact. energy: -2.731
local terms energy: -600.890699
where:
bonds (distance) C4'-P energy: -130.387
bonds (distance) P-C4' energy: -120.157
flat angles C4'-P-C4' energy: -137.691
flat angles P-C4'-P energy: -81.567
tors. eta vs tors. theta energy: -131.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1516.555596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.555596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.555596 (E_RNA)
where:
Base-Base interactions energy: -966.481
where: short stacking energy: -434.064
Base-Backbone interact. energy: -2.228
local terms energy: -547.846685
where:
bonds (distance) C4'-P energy: -111.144
bonds (distance) P-C4' energy: -120.711
flat angles C4'-P-C4' energy: -138.272
flat angles P-C4'-P energy: -93.687
tors. eta vs tors. theta energy: -84.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1363.798978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.798978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.798978 (E_RNA)
where:
Base-Base interactions energy: -869.930
where: short stacking energy: -420.395
Base-Backbone interact. energy: -0.968
local terms energy: -492.900781
where:
bonds (distance) C4'-P energy: -94.601
bonds (distance) P-C4' energy: -121.083
flat angles C4'-P-C4' energy: -124.122
flat angles P-C4'-P energy: -82.412
tors. eta vs tors. theta energy: -70.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1072.398386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.398386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.398386 (E_RNA)
where:
Base-Base interactions energy: -609.582
where: short stacking energy: -328.148
Base-Backbone interact. energy: 3.523
local terms energy: -466.338969
where:
bonds (distance) C4'-P energy: -120.476
bonds (distance) P-C4' energy: -124.805
flat angles C4'-P-C4' energy: -104.928
flat angles P-C4'-P energy: -71.903
tors. eta vs tors. theta energy: -44.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -879.305746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.305746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.305746 (E_RNA)
where:
Base-Base interactions energy: -472.304
where: short stacking energy: -254.612
Base-Backbone interact. energy: -3.185
local terms energy: -403.817082
where:
bonds (distance) C4'-P energy: -107.543
bonds (distance) P-C4' energy: -126.076
flat angles C4'-P-C4' energy: -97.610
flat angles P-C4'-P energy: -63.405
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2522.541881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.541881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.541881 (E_RNA)
where:
Base-Base interactions energy: -1744.542
where: short stacking energy: -742.840
Base-Backbone interact. energy: -4.031
local terms energy: -773.968593
where:
bonds (distance) C4'-P energy: -135.283
bonds (distance) P-C4' energy: -151.213
flat angles C4'-P-C4' energy: -163.661
flat angles P-C4'-P energy: -116.207
tors. eta vs tors. theta energy: -207.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2375.447646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.447646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.447646 (E_RNA)
where:
Base-Base interactions energy: -1629.867
where: short stacking energy: -692.602
Base-Backbone interact. energy: 0.517
local terms energy: -746.098008
where:
bonds (distance) C4'-P energy: -123.115
bonds (distance) P-C4' energy: -155.798
flat angles C4'-P-C4' energy: -165.750
flat angles P-C4'-P energy: -109.360
tors. eta vs tors. theta energy: -192.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2291.524533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.524533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.524533 (E_RNA)
where:
Base-Base interactions energy: -1589.789
where: short stacking energy: -678.175
Base-Backbone interact. energy: 2.862
local terms energy: -704.597402
where:
bonds (distance) C4'-P energy: -127.249
bonds (distance) P-C4' energy: -131.950
flat angles C4'-P-C4' energy: -157.089
flat angles P-C4'-P energy: -100.258
tors. eta vs tors. theta energy: -188.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2143.005545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.005545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.005545 (E_RNA)
where:
Base-Base interactions energy: -1444.952
where: short stacking energy: -639.715
Base-Backbone interact. energy: -3.369
local terms energy: -694.684630
where:
bonds (distance) C4'-P energy: -135.100
bonds (distance) P-C4' energy: -135.215
flat angles C4'-P-C4' energy: -147.945
flat angles P-C4'-P energy: -93.199
tors. eta vs tors. theta energy: -183.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1919.347602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.347602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.347602 (E_RNA)
where:
Base-Base interactions energy: -1295.448
where: short stacking energy: -587.648
Base-Backbone interact. energy: -0.863
local terms energy: -623.036826
where:
bonds (distance) C4'-P energy: -123.325
bonds (distance) P-C4' energy: -125.417
flat angles C4'-P-C4' energy: -147.570
flat angles P-C4'-P energy: -82.276
tors. eta vs tors. theta energy: -144.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1757.679222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.679222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.679222 (E_RNA)
where:
Base-Base interactions energy: -1129.346
where: short stacking energy: -511.083
Base-Backbone interact. energy: -3.736
local terms energy: -624.597293
where:
bonds (distance) C4'-P energy: -114.966
bonds (distance) P-C4' energy: -152.096
flat angles C4'-P-C4' energy: -145.212
flat angles P-C4'-P energy: -81.288
tors. eta vs tors. theta energy: -131.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1590.602814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.602814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.602814 (E_RNA)
where:
Base-Base interactions energy: -1011.535
where: short stacking energy: -465.845
Base-Backbone interact. energy: -2.411
local terms energy: -576.657022
where:
bonds (distance) C4'-P energy: -123.371
bonds (distance) P-C4' energy: -130.703
flat angles C4'-P-C4' energy: -139.997
flat angles P-C4'-P energy: -82.273
tors. eta vs tors. theta energy: -100.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1361.065533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.065533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.065533 (E_RNA)
where:
Base-Base interactions energy: -868.076
where: short stacking energy: -397.725
Base-Backbone interact. energy: -2.916
local terms energy: -490.073040
where:
bonds (distance) C4'-P energy: -123.726
bonds (distance) P-C4' energy: -102.326
flat angles C4'-P-C4' energy: -117.895
flat angles P-C4'-P energy: -70.197
tors. eta vs tors. theta energy: -75.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1018.460452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.460452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.460452 (E_RNA)
where:
Base-Base interactions energy: -544.219
where: short stacking energy: -274.600
Base-Backbone interact. energy: -2.559
local terms energy: -471.682734
where:
bonds (distance) C4'-P energy: -113.758
bonds (distance) P-C4' energy: -137.119
flat angles C4'-P-C4' energy: -111.956
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: -51.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -877.890441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.890441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.890441 (E_RNA)
where:
Base-Base interactions energy: -463.335
where: short stacking energy: -253.481
Base-Backbone interact. energy: 0.012
local terms energy: -414.567022
where:
bonds (distance) C4'-P energy: -127.382
bonds (distance) P-C4' energy: -140.627
flat angles C4'-P-C4' energy: -83.928
flat angles P-C4'-P energy: -41.542
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2526.083583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.083583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.083583 (E_RNA)
where:
Base-Base interactions energy: -1739.115
where: short stacking energy: -736.895
Base-Backbone interact. energy: -5.164
local terms energy: -781.804968
where:
bonds (distance) C4'-P energy: -147.234
bonds (distance) P-C4' energy: -141.896
flat angles C4'-P-C4' energy: -166.866
flat angles P-C4'-P energy: -114.105
tors. eta vs tors. theta energy: -211.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2383.483697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.483697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.483697 (E_RNA)
where:
Base-Base interactions energy: -1604.341
where: short stacking energy: -683.274
Base-Backbone interact. energy: -5.871
local terms energy: -773.272356
where:
bonds (distance) C4'-P energy: -139.017
bonds (distance) P-C4' energy: -155.532
flat angles C4'-P-C4' energy: -167.113
flat angles P-C4'-P energy: -98.956
tors. eta vs tors. theta energy: -212.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2297.703942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.703942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.703942 (E_RNA)
where:
Base-Base interactions energy: -1585.123
where: short stacking energy: -663.467
Base-Backbone interact. energy: 0.059
local terms energy: -712.639903
where:
bonds (distance) C4'-P energy: -145.412
bonds (distance) P-C4' energy: -138.341
flat angles C4'-P-C4' energy: -149.606
flat angles P-C4'-P energy: -95.803
tors. eta vs tors. theta energy: -183.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2149.903554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.903554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.903554 (E_RNA)
where:
Base-Base interactions energy: -1433.146
where: short stacking energy: -634.872
Base-Backbone interact. energy: -2.139
local terms energy: -714.618621
where:
bonds (distance) C4'-P energy: -131.000
bonds (distance) P-C4' energy: -139.773
flat angles C4'-P-C4' energy: -158.233
flat angles P-C4'-P energy: -114.848
tors. eta vs tors. theta energy: -170.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1971.389425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.389425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.389425 (E_RNA)
where:
Base-Base interactions energy: -1333.497
where: short stacking energy: -609.645
Base-Backbone interact. energy: -6.151
local terms energy: -631.741678
where:
bonds (distance) C4'-P energy: -124.536
bonds (distance) P-C4' energy: -112.138
flat angles C4'-P-C4' energy: -139.198
flat angles P-C4'-P energy: -100.742
tors. eta vs tors. theta energy: -155.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1811.359996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.359996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.359996 (E_RNA)
where:
Base-Base interactions energy: -1226.628
where: short stacking energy: -522.607
Base-Backbone interact. energy: -2.881
local terms energy: -581.851310
where:
bonds (distance) C4'-P energy: -118.085
bonds (distance) P-C4' energy: -119.161
flat angles C4'-P-C4' energy: -127.281
flat angles P-C4'-P energy: -100.629
tors. eta vs tors. theta energy: -116.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1530.988297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.988297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.988297 (E_RNA)
where:
Base-Base interactions energy: -981.974
where: short stacking energy: -458.421
Base-Backbone interact. energy: 2.798
local terms energy: -551.812025
where:
bonds (distance) C4'-P energy: -135.598
bonds (distance) P-C4' energy: -115.542
flat angles C4'-P-C4' energy: -125.882
flat angles P-C4'-P energy: -77.847
tors. eta vs tors. theta energy: -96.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1368.716314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.716314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.716314 (E_RNA)
where:
Base-Base interactions energy: -824.868
where: short stacking energy: -396.675
Base-Backbone interact. energy: -3.753
local terms energy: -540.095521
where:
bonds (distance) C4'-P energy: -138.344
bonds (distance) P-C4' energy: -122.227
flat angles C4'-P-C4' energy: -136.148
flat angles P-C4'-P energy: -77.646
tors. eta vs tors. theta energy: -65.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1001.459828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.459828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.459828 (E_RNA)
where:
Base-Base interactions energy: -553.987
where: short stacking energy: -291.173
Base-Backbone interact. energy: 2.584
local terms energy: -450.057002
where:
bonds (distance) C4'-P energy: -115.875
bonds (distance) P-C4' energy: -134.843
flat angles C4'-P-C4' energy: -94.554
flat angles P-C4'-P energy: -68.468
tors. eta vs tors. theta energy: -36.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -874.979646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.979646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.979646 (E_RNA)
where:
Base-Base interactions energy: -522.448
where: short stacking energy: -256.463
Base-Backbone interact. energy: 0.928
local terms energy: -353.460216
where:
bonds (distance) C4'-P energy: -95.247
bonds (distance) P-C4' energy: -99.900
flat angles C4'-P-C4' energy: -93.279
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2535.504337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.504337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.504337 (E_RNA)
where:
Base-Base interactions energy: -1762.774
where: short stacking energy: -736.450
Base-Backbone interact. energy: -2.593
local terms energy: -770.136931
where:
bonds (distance) C4'-P energy: -139.915
bonds (distance) P-C4' energy: -160.893
flat angles C4'-P-C4' energy: -160.737
flat angles P-C4'-P energy: -96.201
tors. eta vs tors. theta energy: -212.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2384.206417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.206417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.206417 (E_RNA)
where:
Base-Base interactions energy: -1620.345
where: short stacking energy: -714.442
Base-Backbone interact. energy: -0.358
local terms energy: -763.503347
where:
bonds (distance) C4'-P energy: -153.515
bonds (distance) P-C4' energy: -138.929
flat angles C4'-P-C4' energy: -157.434
flat angles P-C4'-P energy: -104.708
tors. eta vs tors. theta energy: -208.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2291.605171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.605171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.605171 (E_RNA)
where:
Base-Base interactions energy: -1552.759
where: short stacking energy: -663.150
Base-Backbone interact. energy: -1.960
local terms energy: -736.885950
where:
bonds (distance) C4'-P energy: -134.927
bonds (distance) P-C4' energy: -143.281
flat angles C4'-P-C4' energy: -163.117
flat angles P-C4'-P energy: -103.993
tors. eta vs tors. theta energy: -191.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2129.139416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.139416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.139416 (E_RNA)
where:
Base-Base interactions energy: -1457.150
where: short stacking energy: -643.530
Base-Backbone interact. energy: 0.927
local terms energy: -672.915905
where:
bonds (distance) C4'-P energy: -115.821
bonds (distance) P-C4' energy: -135.705
flat angles C4'-P-C4' energy: -160.044
flat angles P-C4'-P energy: -86.098
tors. eta vs tors. theta energy: -175.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1958.659256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.659256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.659256 (E_RNA)
where:
Base-Base interactions energy: -1277.891
where: short stacking energy: -577.879
Base-Backbone interact. energy: -3.784
local terms energy: -676.984208
where:
bonds (distance) C4'-P energy: -126.860
bonds (distance) P-C4' energy: -149.790
flat angles C4'-P-C4' energy: -137.590
flat angles P-C4'-P energy: -104.328
tors. eta vs tors. theta energy: -158.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1824.992190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.992190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.992190 (E_RNA)
where:
Base-Base interactions energy: -1230.458
where: short stacking energy: -536.463
Base-Backbone interact. energy: -0.480
local terms energy: -594.053527
where:
bonds (distance) C4'-P energy: -117.037
bonds (distance) P-C4' energy: -120.734
flat angles C4'-P-C4' energy: -147.234
flat angles P-C4'-P energy: -83.748
tors. eta vs tors. theta energy: -125.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1492.979800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.979800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.979800 (E_RNA)
where:
Base-Base interactions energy: -947.252
where: short stacking energy: -423.974
Base-Backbone interact. energy: -1.710
local terms energy: -544.018169
where:
bonds (distance) C4'-P energy: -131.320
bonds (distance) P-C4' energy: -115.493
flat angles C4'-P-C4' energy: -128.366
flat angles P-C4'-P energy: -92.691
tors. eta vs tors. theta energy: -76.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1353.632515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.632515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.632515 (E_RNA)
where:
Base-Base interactions energy: -832.864
where: short stacking energy: -392.184
Base-Backbone interact. energy: 3.755
local terms energy: -524.523500
where:
bonds (distance) C4'-P energy: -127.435
bonds (distance) P-C4' energy: -113.068
flat angles C4'-P-C4' energy: -118.969
flat angles P-C4'-P energy: -75.051
tors. eta vs tors. theta energy: -90.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -934.655522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.655522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.655522 (E_RNA)
where:
Base-Base interactions energy: -538.505
where: short stacking energy: -254.461
Base-Backbone interact. energy: 0.190
local terms energy: -396.340140
where:
bonds (distance) C4'-P energy: -121.392
bonds (distance) P-C4' energy: -124.352
flat angles C4'-P-C4' energy: -89.028
flat angles P-C4'-P energy: -81.828
tors. eta vs tors. theta energy: 20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -823.053731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.053731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.053731 (E_RNA)
where:
Base-Base interactions energy: -433.779
where: short stacking energy: -240.881
Base-Backbone interact. energy: 1.637
local terms energy: -390.912402
where:
bonds (distance) C4'-P energy: -111.110
bonds (distance) P-C4' energy: -130.089
flat angles C4'-P-C4' energy: -102.209
flat angles P-C4'-P energy: -48.059
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2527.762719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.762719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.762719 (E_RNA)
where:
Base-Base interactions energy: -1756.856
where: short stacking energy: -725.291
Base-Backbone interact. energy: -7.913
local terms energy: -762.993886
where:
bonds (distance) C4'-P energy: -132.736
bonds (distance) P-C4' energy: -148.522
flat angles C4'-P-C4' energy: -164.315
flat angles P-C4'-P energy: -111.009
tors. eta vs tors. theta energy: -206.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2408.702161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.702161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.702161 (E_RNA)
where:
Base-Base interactions energy: -1646.993
where: short stacking energy: -709.910
Base-Backbone interact. energy: -3.156
local terms energy: -758.552821
where:
bonds (distance) C4'-P energy: -130.125
bonds (distance) P-C4' energy: -143.151
flat angles C4'-P-C4' energy: -167.063
flat angles P-C4'-P energy: -107.896
tors. eta vs tors. theta energy: -210.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2292.359274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.359274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.359274 (E_RNA)
where:
Base-Base interactions energy: -1593.074
where: short stacking energy: -662.833
Base-Backbone interact. energy: -3.008
local terms energy: -696.276505
where:
bonds (distance) C4'-P energy: -117.095
bonds (distance) P-C4' energy: -155.671
flat angles C4'-P-C4' energy: -155.501
flat angles P-C4'-P energy: -92.518
tors. eta vs tors. theta energy: -175.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2181.021062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.021062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.021062 (E_RNA)
where:
Base-Base interactions energy: -1458.615
where: short stacking energy: -658.964
Base-Backbone interact. energy: 0.054
local terms energy: -722.460182
where:
bonds (distance) C4'-P energy: -128.856
bonds (distance) P-C4' energy: -131.233
flat angles C4'-P-C4' energy: -167.178
flat angles P-C4'-P energy: -103.792
tors. eta vs tors. theta energy: -191.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1941.820510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.820510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.820510 (E_RNA)
where:
Base-Base interactions energy: -1310.589
where: short stacking energy: -580.761
Base-Backbone interact. energy: -1.524
local terms energy: -629.707507
where:
bonds (distance) C4'-P energy: -128.246
bonds (distance) P-C4' energy: -127.795
flat angles C4'-P-C4' energy: -145.207
flat angles P-C4'-P energy: -81.964
tors. eta vs tors. theta energy: -146.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1863.455491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.455491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.455491 (E_RNA)
where:
Base-Base interactions energy: -1258.554
where: short stacking energy: -539.576
Base-Backbone interact. energy: 6.666
local terms energy: -611.567516
where:
bonds (distance) C4'-P energy: -103.766
bonds (distance) P-C4' energy: -122.308
flat angles C4'-P-C4' energy: -143.844
flat angles P-C4'-P energy: -91.564
tors. eta vs tors. theta energy: -150.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1545.547088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.547088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.547088 (E_RNA)
where:
Base-Base interactions energy: -1025.605
where: short stacking energy: -449.629
Base-Backbone interact. energy: -2.372
local terms energy: -517.569887
where:
bonds (distance) C4'-P energy: -116.668
bonds (distance) P-C4' energy: -125.092
flat angles C4'-P-C4' energy: -115.098
flat angles P-C4'-P energy: -72.961
tors. eta vs tors. theta energy: -87.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1326.385625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.385625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.385625 (E_RNA)
where:
Base-Base interactions energy: -814.893
where: short stacking energy: -397.201
Base-Backbone interact. energy: -1.688
local terms energy: -509.804358
where:
bonds (distance) C4'-P energy: -103.086
bonds (distance) P-C4' energy: -114.596
flat angles C4'-P-C4' energy: -125.024
flat angles P-C4'-P energy: -86.253
tors. eta vs tors. theta energy: -80.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -886.232513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.232513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.232513 (E_RNA)
where:
Base-Base interactions energy: -461.948
where: short stacking energy: -237.972
Base-Backbone interact. energy: -2.875
local terms energy: -421.409019
where:
bonds (distance) C4'-P energy: -105.798
bonds (distance) P-C4' energy: -119.839
flat angles C4'-P-C4' energy: -118.622
flat angles P-C4'-P energy: -69.047
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -825.936007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.936007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.936007 (E_RNA)
where:
Base-Base interactions energy: -418.075
where: short stacking energy: -204.382
Base-Backbone interact. energy: 3.172
local terms energy: -411.033143
where:
bonds (distance) C4'-P energy: -121.575
bonds (distance) P-C4' energy: -130.227
flat angles C4'-P-C4' energy: -89.792
flat angles P-C4'-P energy: -61.461
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2511.551328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.551328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.551328 (E_RNA)
where:
Base-Base interactions energy: -1731.164
where: short stacking energy: -732.115
Base-Backbone interact. energy: -2.624
local terms energy: -777.763519
where:
bonds (distance) C4'-P energy: -147.181
bonds (distance) P-C4' energy: -143.988
flat angles C4'-P-C4' energy: -166.119
flat angles P-C4'-P energy: -109.953
tors. eta vs tors. theta energy: -210.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2401.002283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.002283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.002283 (E_RNA)
where:
Base-Base interactions energy: -1653.913
where: short stacking energy: -717.526
Base-Backbone interact. energy: -1.289
local terms energy: -745.799538
where:
bonds (distance) C4'-P energy: -126.442
bonds (distance) P-C4' energy: -145.041
flat angles C4'-P-C4' energy: -166.621
flat angles P-C4'-P energy: -98.986
tors. eta vs tors. theta energy: -208.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2279.343453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.343453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.343453 (E_RNA)
where:
Base-Base interactions energy: -1544.665
where: short stacking energy: -684.659
Base-Backbone interact. energy: -2.789
local terms energy: -731.889240
where:
bonds (distance) C4'-P energy: -138.101
bonds (distance) P-C4' energy: -142.420
flat angles C4'-P-C4' energy: -161.103
flat angles P-C4'-P energy: -97.484
tors. eta vs tors. theta energy: -192.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2147.442664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.442664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.442664 (E_RNA)
where:
Base-Base interactions energy: -1444.131
where: short stacking energy: -657.404
Base-Backbone interact. energy: -0.492
local terms energy: -702.819455
where:
bonds (distance) C4'-P energy: -137.515
bonds (distance) P-C4' energy: -149.207
flat angles C4'-P-C4' energy: -155.724
flat angles P-C4'-P energy: -80.431
tors. eta vs tors. theta energy: -179.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1942.614851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.614851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.614851 (E_RNA)
where:
Base-Base interactions energy: -1302.271
where: short stacking energy: -586.837
Base-Backbone interact. energy: -1.141
local terms energy: -639.203027
where:
bonds (distance) C4'-P energy: -132.697
bonds (distance) P-C4' energy: -137.198
flat angles C4'-P-C4' energy: -140.809
flat angles P-C4'-P energy: -81.888
tors. eta vs tors. theta energy: -146.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1856.746392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.746392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.746392 (E_RNA)
where:
Base-Base interactions energy: -1232.773
where: short stacking energy: -531.925
Base-Backbone interact. energy: -0.559
local terms energy: -623.414476
where:
bonds (distance) C4'-P energy: -127.354
bonds (distance) P-C4' energy: -137.376
flat angles C4'-P-C4' energy: -148.749
flat angles P-C4'-P energy: -93.741
tors. eta vs tors. theta energy: -116.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1573.885069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.885069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.885069 (E_RNA)
where:
Base-Base interactions energy: -1004.601
where: short stacking energy: -448.890
Base-Backbone interact. energy: 1.529
local terms energy: -570.813214
where:
bonds (distance) C4'-P energy: -131.060
bonds (distance) P-C4' energy: -129.145
flat angles C4'-P-C4' energy: -139.949
flat angles P-C4'-P energy: -72.112
tors. eta vs tors. theta energy: -98.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1281.084535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.084535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.084535 (E_RNA)
where:
Base-Base interactions energy: -776.722
where: short stacking energy: -369.655
Base-Backbone interact. energy: -4.552
local terms energy: -499.810280
where:
bonds (distance) C4'-P energy: -123.931
bonds (distance) P-C4' energy: -129.678
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -84.633
tors. eta vs tors. theta energy: -52.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -872.106370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.106370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.106370 (E_RNA)
where:
Base-Base interactions energy: -431.782
where: short stacking energy: -231.254
Base-Backbone interact. energy: -2.072
local terms energy: -438.252804
where:
bonds (distance) C4'-P energy: -128.345
bonds (distance) P-C4' energy: -131.202
flat angles C4'-P-C4' energy: -118.021
flat angles P-C4'-P energy: -63.549
tors. eta vs tors. theta energy: 2.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -817.077965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.077965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.077965 (E_RNA)
where:
Base-Base interactions energy: -411.543
where: short stacking energy: -210.309
Base-Backbone interact. energy: 0.530
local terms energy: -406.064781
where:
bonds (distance) C4'-P energy: -116.298
bonds (distance) P-C4' energy: -124.308
flat angles C4'-P-C4' energy: -106.815
flat angles P-C4'-P energy: -61.986
tors. eta vs tors. theta energy: 3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2532.030797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.030797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.030797 (E_RNA)
where:
Base-Base interactions energy: -1752.138
where: short stacking energy: -745.464
Base-Backbone interact. energy: -1.217
local terms energy: -778.676028
where:
bonds (distance) C4'-P energy: -146.328
bonds (distance) P-C4' energy: -162.330
flat angles C4'-P-C4' energy: -154.675
flat angles P-C4'-P energy: -105.007
tors. eta vs tors. theta energy: -210.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2424.641928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.641928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.641928 (E_RNA)
where:
Base-Base interactions energy: -1664.920
where: short stacking energy: -705.211
Base-Backbone interact. energy: -3.188
local terms energy: -756.533966
where:
bonds (distance) C4'-P energy: -145.324
bonds (distance) P-C4' energy: -141.776
flat angles C4'-P-C4' energy: -154.256
flat angles P-C4'-P energy: -115.722
tors. eta vs tors. theta energy: -199.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2262.478461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.478461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.478461 (E_RNA)
where:
Base-Base interactions energy: -1536.132
where: short stacking energy: -653.685
Base-Backbone interact. energy: -2.629
local terms energy: -723.718065
where:
bonds (distance) C4'-P energy: -147.259
bonds (distance) P-C4' energy: -137.007
flat angles C4'-P-C4' energy: -162.874
flat angles P-C4'-P energy: -97.257
tors. eta vs tors. theta energy: -179.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2130.818152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.818152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.818152 (E_RNA)
where:
Base-Base interactions energy: -1434.084
where: short stacking energy: -633.225
Base-Backbone interact. energy: 0.381
local terms energy: -697.115630
where:
bonds (distance) C4'-P energy: -136.920
bonds (distance) P-C4' energy: -132.561
flat angles C4'-P-C4' energy: -143.866
flat angles P-C4'-P energy: -103.310
tors. eta vs tors. theta energy: -180.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1911.570906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.570906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.570906 (E_RNA)
where:
Base-Base interactions energy: -1262.851
where: short stacking energy: -585.564
Base-Backbone interact. energy: -1.237
local terms energy: -647.483488
where:
bonds (distance) C4'-P energy: -143.083
bonds (distance) P-C4' energy: -143.567
flat angles C4'-P-C4' energy: -125.070
flat angles P-C4'-P energy: -86.318
tors. eta vs tors. theta energy: -149.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1855.226374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.226374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.226374 (E_RNA)
where:
Base-Base interactions energy: -1198.678
where: short stacking energy: -542.951
Base-Backbone interact. energy: -3.916
local terms energy: -652.631703
where:
bonds (distance) C4'-P energy: -132.235
bonds (distance) P-C4' energy: -144.784
flat angles C4'-P-C4' energy: -154.122
flat angles P-C4'-P energy: -92.123
tors. eta vs tors. theta energy: -129.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1456.693034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.693034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.693034 (E_RNA)
where:
Base-Base interactions energy: -917.936
where: short stacking energy: -408.555
Base-Backbone interact. energy: -2.229
local terms energy: -536.528065
where:
bonds (distance) C4'-P energy: -125.263
bonds (distance) P-C4' energy: -120.154
flat angles C4'-P-C4' energy: -116.864
flat angles P-C4'-P energy: -84.992
tors. eta vs tors. theta energy: -89.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1264.784471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.784471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.784471 (E_RNA)
where:
Base-Base interactions energy: -744.781
where: short stacking energy: -364.486
Base-Backbone interact. energy: -0.162
local terms energy: -519.842123
where:
bonds (distance) C4'-P energy: -128.225
bonds (distance) P-C4' energy: -130.963
flat angles C4'-P-C4' energy: -120.967
flat angles P-C4'-P energy: -71.889
tors. eta vs tors. theta energy: -67.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -917.540138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.540138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.540138 (E_RNA)
where:
Base-Base interactions energy: -485.385
where: short stacking energy: -276.079
Base-Backbone interact. energy: -3.067
local terms energy: -429.088161
where:
bonds (distance) C4'-P energy: -111.017
bonds (distance) P-C4' energy: -115.873
flat angles C4'-P-C4' energy: -108.315
flat angles P-C4'-P energy: -71.901
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -800.464410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.464410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.464410 (E_RNA)
where:
Base-Base interactions energy: -389.339
where: short stacking energy: -213.577
Base-Backbone interact. energy: 3.211
local terms energy: -414.335878
where:
bonds (distance) C4'-P energy: -116.099
bonds (distance) P-C4' energy: -131.298
flat angles C4'-P-C4' energy: -110.819
flat angles P-C4'-P energy: -77.386
tors. eta vs tors. theta energy: 21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2532.973839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.973839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.973839 (E_RNA)
where:
Base-Base interactions energy: -1743.148
where: short stacking energy: -746.616
Base-Backbone interact. energy: -3.178
local terms energy: -786.647797
where:
bonds (distance) C4'-P energy: -152.795
bonds (distance) P-C4' energy: -132.706
flat angles C4'-P-C4' energy: -170.443
flat angles P-C4'-P energy: -113.411
tors. eta vs tors. theta energy: -217.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2406.215943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.215943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.215943 (E_RNA)
where:
Base-Base interactions energy: -1646.369
where: short stacking energy: -707.500
Base-Backbone interact. energy: -4.294
local terms energy: -755.552705
where:
bonds (distance) C4'-P energy: -142.668
bonds (distance) P-C4' energy: -134.772
flat angles C4'-P-C4' energy: -150.217
flat angles P-C4'-P energy: -119.147
tors. eta vs tors. theta energy: -208.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2194.320353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.320353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.320353 (E_RNA)
where:
Base-Base interactions energy: -1488.421
where: short stacking energy: -679.388
Base-Backbone interact. energy: -2.640
local terms energy: -703.259046
where:
bonds (distance) C4'-P energy: -132.372
bonds (distance) P-C4' energy: -150.075
flat angles C4'-P-C4' energy: -152.587
flat angles P-C4'-P energy: -90.614
tors. eta vs tors. theta energy: -177.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2229.741817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.741817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.741817 (E_RNA)
where:
Base-Base interactions energy: -1507.976
where: short stacking energy: -634.691
Base-Backbone interact. energy: -1.800
local terms energy: -719.966248
where:
bonds (distance) C4'-P energy: -144.389
bonds (distance) P-C4' energy: -141.929
flat angles C4'-P-C4' energy: -155.094
flat angles P-C4'-P energy: -100.493
tors. eta vs tors. theta energy: -178.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1968.884095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.884095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.884095 (E_RNA)
where:
Base-Base interactions energy: -1309.912
where: short stacking energy: -588.774
Base-Backbone interact. energy: -4.022
local terms energy: -654.949875
where:
bonds (distance) C4'-P energy: -126.696
bonds (distance) P-C4' energy: -144.849
flat angles C4'-P-C4' energy: -146.280
flat angles P-C4'-P energy: -89.664
tors. eta vs tors. theta energy: -147.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1848.155882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.155882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.155882 (E_RNA)
where:
Base-Base interactions energy: -1251.805
where: short stacking energy: -536.167
Base-Backbone interact. energy: -2.477
local terms energy: -593.873657
where:
bonds (distance) C4'-P energy: -131.293
bonds (distance) P-C4' energy: -125.488
flat angles C4'-P-C4' energy: -122.025
flat angles P-C4'-P energy: -91.146
tors. eta vs tors. theta energy: -123.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1456.664035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.664035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.664035 (E_RNA)
where:
Base-Base interactions energy: -911.007
where: short stacking energy: -411.881
Base-Backbone interact. energy: 3.477
local terms energy: -549.134384
where:
bonds (distance) C4'-P energy: -111.139
bonds (distance) P-C4' energy: -134.132
flat angles C4'-P-C4' energy: -141.669
flat angles P-C4'-P energy: -83.195
tors. eta vs tors. theta energy: -78.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1290.356130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.356130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.356130 (E_RNA)
where:
Base-Base interactions energy: -767.546
where: short stacking energy: -364.699
Base-Backbone interact. energy: -1.403
local terms energy: -521.407383
where:
bonds (distance) C4'-P energy: -134.268
bonds (distance) P-C4' energy: -115.433
flat angles C4'-P-C4' energy: -128.566
flat angles P-C4'-P energy: -81.824
tors. eta vs tors. theta energy: -61.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -988.191220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.191220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.191220 (E_RNA)
where:
Base-Base interactions energy: -504.263
where: short stacking energy: -294.774
Base-Backbone interact. energy: 1.576
local terms energy: -485.504334
where:
bonds (distance) C4'-P energy: -139.354
bonds (distance) P-C4' energy: -119.931
flat angles C4'-P-C4' energy: -130.501
flat angles P-C4'-P energy: -57.941
tors. eta vs tors. theta energy: -37.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -788.524105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.524105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.524105 (E_RNA)
where:
Base-Base interactions energy: -379.036
where: short stacking energy: -218.436
Base-Backbone interact. energy: 1.964
local terms energy: -411.451719
where:
bonds (distance) C4'-P energy: -115.041
bonds (distance) P-C4' energy: -139.843
flat angles C4'-P-C4' energy: -99.542
flat angles P-C4'-P energy: -55.672
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2550.928102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.928102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.928102 (E_RNA)
where:
Base-Base interactions energy: -1796.518
where: short stacking energy: -759.430
Base-Backbone interact. energy: -3.153
local terms energy: -751.256996
where:
bonds (distance) C4'-P energy: -125.634
bonds (distance) P-C4' energy: -144.188
flat angles C4'-P-C4' energy: -153.947
flat angles P-C4'-P energy: -112.506
tors. eta vs tors. theta energy: -214.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2433.610726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.610726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.610726 (E_RNA)
where:
Base-Base interactions energy: -1678.108
where: short stacking energy: -729.444
Base-Backbone interact. energy: -1.527
local terms energy: -753.975775
where:
bonds (distance) C4'-P energy: -124.508
bonds (distance) P-C4' energy: -134.682
flat angles C4'-P-C4' energy: -172.406
flat angles P-C4'-P energy: -112.260
tors. eta vs tors. theta energy: -210.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2193.345983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.345983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.345983 (E_RNA)
where:
Base-Base interactions energy: -1488.182
where: short stacking energy: -656.770
Base-Backbone interact. energy: -2.908
local terms energy: -702.256234
where:
bonds (distance) C4'-P energy: -133.075
bonds (distance) P-C4' energy: -141.875
flat angles C4'-P-C4' energy: -139.415
flat angles P-C4'-P energy: -111.640
tors. eta vs tors. theta energy: -176.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2127.418710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.418710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.418710 (E_RNA)
where:
Base-Base interactions energy: -1424.510
where: short stacking energy: -616.818
Base-Backbone interact. energy: -3.500
local terms energy: -699.409268
where:
bonds (distance) C4'-P energy: -133.432
bonds (distance) P-C4' energy: -144.874
flat angles C4'-P-C4' energy: -157.329
flat angles P-C4'-P energy: -90.055
tors. eta vs tors. theta energy: -173.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1962.913338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.913338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.913338 (E_RNA)
where:
Base-Base interactions energy: -1310.717
where: short stacking energy: -579.901
Base-Backbone interact. energy: -0.047
local terms energy: -652.148619
where:
bonds (distance) C4'-P energy: -131.762
bonds (distance) P-C4' energy: -130.770
flat angles C4'-P-C4' energy: -153.974
flat angles P-C4'-P energy: -90.822
tors. eta vs tors. theta energy: -144.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1849.327778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.327778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.327778 (E_RNA)
where:
Base-Base interactions energy: -1243.776
where: short stacking energy: -555.079
Base-Backbone interact. energy: -1.087
local terms energy: -604.464875
where:
bonds (distance) C4'-P energy: -117.790
bonds (distance) P-C4' energy: -115.240
flat angles C4'-P-C4' energy: -147.657
flat angles P-C4'-P energy: -86.367
tors. eta vs tors. theta energy: -137.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1498.166387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.166387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.166387 (E_RNA)
where:
Base-Base interactions energy: -928.865
where: short stacking energy: -427.447
Base-Backbone interact. energy: -1.300
local terms energy: -568.001288
where:
bonds (distance) C4'-P energy: -115.896
bonds (distance) P-C4' energy: -123.624
flat angles C4'-P-C4' energy: -150.815
flat angles P-C4'-P energy: -90.641
tors. eta vs tors. theta energy: -87.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1251.258704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.258704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.258704 (E_RNA)
where:
Base-Base interactions energy: -765.258
where: short stacking energy: -393.059
Base-Backbone interact. energy: 3.613
local terms energy: -489.613705
where:
bonds (distance) C4'-P energy: -112.499
bonds (distance) P-C4' energy: -125.182
flat angles C4'-P-C4' energy: -121.523
flat angles P-C4'-P energy: -81.748
tors. eta vs tors. theta energy: -48.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -988.701088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.701088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.701088 (E_RNA)
where:
Base-Base interactions energy: -551.359
where: short stacking energy: -324.287
Base-Backbone interact. energy: 2.735
local terms energy: -440.076978
where:
bonds (distance) C4'-P energy: -105.127
bonds (distance) P-C4' energy: -127.349
flat angles C4'-P-C4' energy: -108.481
flat angles P-C4'-P energy: -59.200
tors. eta vs tors. theta energy: -39.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -808.176381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.176381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.176381 (E_RNA)
where:
Base-Base interactions energy: -418.620
where: short stacking energy: -205.976
Base-Backbone interact. energy: -2.643
local terms energy: -386.913428
where:
bonds (distance) C4'-P energy: -117.134
bonds (distance) P-C4' energy: -112.423
flat angles C4'-P-C4' energy: -107.044
flat angles P-C4'-P energy: -63.165
tors. eta vs tors. theta energy: 12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2528.599489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.599489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.599489 (E_RNA)
where:
Base-Base interactions energy: -1775.926
where: short stacking energy: -729.484
Base-Backbone interact. energy: -4.133
local terms energy: -748.540446
where:
bonds (distance) C4'-P energy: -146.695
bonds (distance) P-C4' energy: -137.124
flat angles C4'-P-C4' energy: -161.036
flat angles P-C4'-P energy: -103.733
tors. eta vs tors. theta energy: -199.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2448.170640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.170640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.170640 (E_RNA)
where:
Base-Base interactions energy: -1663.484
where: short stacking energy: -723.913
Base-Backbone interact. energy: -0.225
local terms energy: -784.461487
where:
bonds (distance) C4'-P energy: -151.093
bonds (distance) P-C4' energy: -157.862
flat angles C4'-P-C4' energy: -168.004
flat angles P-C4'-P energy: -103.715
tors. eta vs tors. theta energy: -203.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2187.896659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.896659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.896659 (E_RNA)
where:
Base-Base interactions energy: -1473.697
where: short stacking energy: -642.615
Base-Backbone interact. energy: -2.145
local terms energy: -712.054241
where:
bonds (distance) C4'-P energy: -130.620
bonds (distance) P-C4' energy: -148.438
flat angles C4'-P-C4' energy: -157.278
flat angles P-C4'-P energy: -102.997
tors. eta vs tors. theta energy: -172.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2137.385582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.385582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.385582 (E_RNA)
where:
Base-Base interactions energy: -1459.557
where: short stacking energy: -618.139
Base-Backbone interact. energy: -0.180
local terms energy: -677.648919
where:
bonds (distance) C4'-P energy: -127.333
bonds (distance) P-C4' energy: -141.281
flat angles C4'-P-C4' energy: -155.132
flat angles P-C4'-P energy: -90.247
tors. eta vs tors. theta energy: -163.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1950.877177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.877177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.877177 (E_RNA)
where:
Base-Base interactions energy: -1322.385
where: short stacking energy: -577.847
Base-Backbone interact. energy: 2.672
local terms energy: -631.164208
where:
bonds (distance) C4'-P energy: -125.890
bonds (distance) P-C4' energy: -130.652
flat angles C4'-P-C4' energy: -155.542
flat angles P-C4'-P energy: -82.176
tors. eta vs tors. theta energy: -136.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1882.558002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.558002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.558002 (E_RNA)
where:
Base-Base interactions energy: -1256.820
where: short stacking energy: -566.950
Base-Backbone interact. energy: -4.824
local terms energy: -620.914320
where:
bonds (distance) C4'-P energy: -124.258
bonds (distance) P-C4' energy: -118.579
flat angles C4'-P-C4' energy: -151.231
flat angles P-C4'-P energy: -83.000
tors. eta vs tors. theta energy: -143.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1466.532200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.532200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.532200 (E_RNA)
where:
Base-Base interactions energy: -924.783
where: short stacking energy: -427.617
Base-Backbone interact. energy: 1.495
local terms energy: -543.244080
where:
bonds (distance) C4'-P energy: -129.362
bonds (distance) P-C4' energy: -134.590
flat angles C4'-P-C4' energy: -128.593
flat angles P-C4'-P energy: -70.024
tors. eta vs tors. theta energy: -80.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1361.659173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.659173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.659173 (E_RNA)
where:
Base-Base interactions energy: -813.629
where: short stacking energy: -404.372
Base-Backbone interact. energy: 3.956
local terms energy: -551.986621
where:
bonds (distance) C4'-P energy: -132.904
bonds (distance) P-C4' energy: -121.597
flat angles C4'-P-C4' energy: -128.405
flat angles P-C4'-P energy: -83.462
tors. eta vs tors. theta energy: -85.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -958.496023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.496023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.496023 (E_RNA)
where:
Base-Base interactions energy: -499.747
where: short stacking energy: -282.886
Base-Backbone interact. energy: 3.549
local terms energy: -462.298873
where:
bonds (distance) C4'-P energy: -135.154
bonds (distance) P-C4' energy: -119.898
flat angles C4'-P-C4' energy: -114.156
flat angles P-C4'-P energy: -65.816
tors. eta vs tors. theta energy: -27.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -828.879120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.879120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.879120 (E_RNA)
where:
Base-Base interactions energy: -415.393
where: short stacking energy: -211.308
Base-Backbone interact. energy: 1.788
local terms energy: -415.274398
where:
bonds (distance) C4'-P energy: -107.830
bonds (distance) P-C4' energy: -119.922
flat angles C4'-P-C4' energy: -117.005
flat angles P-C4'-P energy: -77.619
tors. eta vs tors. theta energy: 7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2513.447627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.447627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.447627 (E_RNA)
where:
Base-Base interactions energy: -1750.856
where: short stacking energy: -735.212
Base-Backbone interact. energy: -0.927
local terms energy: -761.665005
where:
bonds (distance) C4'-P energy: -153.704
bonds (distance) P-C4' energy: -132.856
flat angles C4'-P-C4' energy: -170.833
flat angles P-C4'-P energy: -95.466
tors. eta vs tors. theta energy: -208.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2402.934841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.934841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.934841 (E_RNA)
where:
Base-Base interactions energy: -1636.673
where: short stacking energy: -712.772
Base-Backbone interact. energy: -1.364
local terms energy: -764.897954
where:
bonds (distance) C4'-P energy: -142.560
bonds (distance) P-C4' energy: -157.255
flat angles C4'-P-C4' energy: -171.776
flat angles P-C4'-P energy: -98.548
tors. eta vs tors. theta energy: -194.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2192.814841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.814841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.814841 (E_RNA)
where:
Base-Base interactions energy: -1463.219
where: short stacking energy: -640.252
Base-Backbone interact. energy: -1.544
local terms energy: -728.051884
where:
bonds (distance) C4'-P energy: -137.930
bonds (distance) P-C4' energy: -139.049
flat angles C4'-P-C4' energy: -150.447
flat angles P-C4'-P energy: -114.284
tors. eta vs tors. theta energy: -186.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2095.638721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.638721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.638721 (E_RNA)
where:
Base-Base interactions energy: -1432.386
where: short stacking energy: -608.648
Base-Backbone interact. energy: -3.545
local terms energy: -659.707374
where:
bonds (distance) C4'-P energy: -138.410
bonds (distance) P-C4' energy: -137.093
flat angles C4'-P-C4' energy: -146.458
flat angles P-C4'-P energy: -79.022
tors. eta vs tors. theta energy: -158.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1965.109217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.109217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.109217 (E_RNA)
where:
Base-Base interactions energy: -1302.343
where: short stacking energy: -595.454
Base-Backbone interact. energy: 0.135
local terms energy: -662.901212
where:
bonds (distance) C4'-P energy: -132.225
bonds (distance) P-C4' energy: -129.197
flat angles C4'-P-C4' energy: -146.730
flat angles P-C4'-P energy: -101.291
tors. eta vs tors. theta energy: -153.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1860.845690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.845690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.845690 (E_RNA)
where:
Base-Base interactions energy: -1231.706
where: short stacking energy: -556.121
Base-Backbone interact. energy: -0.818
local terms energy: -628.322071
where:
bonds (distance) C4'-P energy: -135.782
bonds (distance) P-C4' energy: -127.475
flat angles C4'-P-C4' energy: -134.676
flat angles P-C4'-P energy: -84.591
tors. eta vs tors. theta energy: -145.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1436.098475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.098475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.098475 (E_RNA)
where:
Base-Base interactions energy: -901.345
where: short stacking energy: -416.469
Base-Backbone interact. energy: -2.844
local terms energy: -531.909941
where:
bonds (distance) C4'-P energy: -111.693
bonds (distance) P-C4' energy: -133.159
flat angles C4'-P-C4' energy: -131.070
flat angles P-C4'-P energy: -84.552
tors. eta vs tors. theta energy: -71.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1312.108732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.108732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.108732 (E_RNA)
where:
Base-Base interactions energy: -787.955
where: short stacking energy: -385.204
Base-Backbone interact. energy: -2.927
local terms energy: -521.227155
where:
bonds (distance) C4'-P energy: -113.008
bonds (distance) P-C4' energy: -140.364
flat angles C4'-P-C4' energy: -130.035
flat angles P-C4'-P energy: -67.204
tors. eta vs tors. theta energy: -70.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1038.810969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.810969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.810969 (E_RNA)
where:
Base-Base interactions energy: -584.613
where: short stacking energy: -318.669
Base-Backbone interact. energy: 0.866
local terms energy: -455.063980
where:
bonds (distance) C4'-P energy: -121.053
bonds (distance) P-C4' energy: -125.227
flat angles C4'-P-C4' energy: -114.602
flat angles P-C4'-P energy: -53.439
tors. eta vs tors. theta energy: -40.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -859.574154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.574154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.574154 (E_RNA)
where:
Base-Base interactions energy: -451.532
where: short stacking energy: -247.364
Base-Backbone interact. energy: -0.024
local terms energy: -408.018720
where:
bonds (distance) C4'-P energy: -113.965
bonds (distance) P-C4' energy: -126.596
flat angles C4'-P-C4' energy: -103.005
flat angles P-C4'-P energy: -73.739
tors. eta vs tors. theta energy: 9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2518.024764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.024764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.024764 (E_RNA)
where:
Base-Base interactions energy: -1723.086
where: short stacking energy: -743.143
Base-Backbone interact. energy: -1.360
local terms energy: -793.578584
where:
bonds (distance) C4'-P energy: -144.246
bonds (distance) P-C4' energy: -161.634
flat angles C4'-P-C4' energy: -168.360
flat angles P-C4'-P energy: -114.978
tors. eta vs tors. theta energy: -204.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2422.286946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.286946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.286946 (E_RNA)
where:
Base-Base interactions energy: -1680.777
where: short stacking energy: -718.998
Base-Backbone interact. energy: -5.096
local terms energy: -736.413577
where:
bonds (distance) C4'-P energy: -127.792
bonds (distance) P-C4' energy: -138.936
flat angles C4'-P-C4' energy: -166.101
flat angles P-C4'-P energy: -103.321
tors. eta vs tors. theta energy: -200.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2272.305078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.305078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.305078 (E_RNA)
where:
Base-Base interactions energy: -1529.201
where: short stacking energy: -683.008
Base-Backbone interact. energy: -1.513
local terms energy: -741.591325
where:
bonds (distance) C4'-P energy: -140.281
bonds (distance) P-C4' energy: -138.762
flat angles C4'-P-C4' energy: -156.304
flat angles P-C4'-P energy: -101.130
tors. eta vs tors. theta energy: -205.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2156.250941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.250941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.250941 (E_RNA)
where:
Base-Base interactions energy: -1458.718
where: short stacking energy: -617.280
Base-Backbone interact. energy: -0.568
local terms energy: -696.965414
where:
bonds (distance) C4'-P energy: -135.031
bonds (distance) P-C4' energy: -153.119
flat angles C4'-P-C4' energy: -152.016
flat angles P-C4'-P energy: -94.093
tors. eta vs tors. theta energy: -162.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1959.822740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.822740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.822740 (E_RNA)
where:
Base-Base interactions energy: -1300.759
where: short stacking energy: -574.395
Base-Backbone interact. energy: -7.688
local terms energy: -651.375946
where:
bonds (distance) C4'-P energy: -130.512
bonds (distance) P-C4' energy: -137.848
flat angles C4'-P-C4' energy: -143.393
flat angles P-C4'-P energy: -83.521
tors. eta vs tors. theta energy: -156.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1786.601081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.601081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.601081 (E_RNA)
where:
Base-Base interactions energy: -1191.034
where: short stacking energy: -501.663
Base-Backbone interact. energy: -0.035
local terms energy: -595.532324
where:
bonds (distance) C4'-P energy: -124.165
bonds (distance) P-C4' energy: -136.243
flat angles C4'-P-C4' energy: -135.746
flat angles P-C4'-P energy: -81.519
tors. eta vs tors. theta energy: -117.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1491.693317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.693317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.693317 (E_RNA)
where:
Base-Base interactions energy: -954.687
where: short stacking energy: -434.965
Base-Backbone interact. energy: 0.612
local terms energy: -537.617545
where:
bonds (distance) C4'-P energy: -116.811
bonds (distance) P-C4' energy: -127.692
flat angles C4'-P-C4' energy: -131.420
flat angles P-C4'-P energy: -69.453
tors. eta vs tors. theta energy: -92.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1348.983642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.983642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.983642 (E_RNA)
where:
Base-Base interactions energy: -847.566
where: short stacking energy: -381.566
Base-Backbone interact. energy: -3.553
local terms energy: -497.864022
where:
bonds (distance) C4'-P energy: -108.730
bonds (distance) P-C4' energy: -110.884
flat angles C4'-P-C4' energy: -128.679
flat angles P-C4'-P energy: -77.592
tors. eta vs tors. theta energy: -71.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -998.360344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.360344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.360344 (E_RNA)
where:
Base-Base interactions energy: -544.411
where: short stacking energy: -295.347
Base-Backbone interact. energy: -2.224
local terms energy: -451.724968
where:
bonds (distance) C4'-P energy: -127.406
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -124.721
flat angles P-C4'-P energy: -60.477
tors. eta vs tors. theta energy: -32.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -812.055082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.055082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.055082 (E_RNA)
where:
Base-Base interactions energy: -445.662
where: short stacking energy: -247.393
Base-Backbone interact. energy: 4.407
local terms energy: -370.800472
where:
bonds (distance) C4'-P energy: -104.312
bonds (distance) P-C4' energy: -110.946
flat angles C4'-P-C4' energy: -92.234
flat angles P-C4'-P energy: -73.515
tors. eta vs tors. theta energy: 10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2526.181757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.181757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.181757 (E_RNA)
where:
Base-Base interactions energy: -1753.149
where: short stacking energy: -718.920
Base-Backbone interact. energy: 3.326
local terms energy: -776.358833
where:
bonds (distance) C4'-P energy: -139.831
bonds (distance) P-C4' energy: -149.975
flat angles C4'-P-C4' energy: -169.505
flat angles P-C4'-P energy: -115.710
tors. eta vs tors. theta energy: -201.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2429.472600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.472600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.472600 (E_RNA)
where:
Base-Base interactions energy: -1709.446
where: short stacking energy: -719.281
Base-Backbone interact. energy: -0.790
local terms energy: -719.236318
where:
bonds (distance) C4'-P energy: -120.671
bonds (distance) P-C4' energy: -141.791
flat angles C4'-P-C4' energy: -159.628
flat angles P-C4'-P energy: -102.144
tors. eta vs tors. theta energy: -195.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2263.540778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.540778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.540778 (E_RNA)
where:
Base-Base interactions energy: -1545.111
where: short stacking energy: -697.894
Base-Backbone interact. energy: -1.896
local terms energy: -716.534014
where:
bonds (distance) C4'-P energy: -128.305
bonds (distance) P-C4' energy: -140.049
flat angles C4'-P-C4' energy: -153.737
flat angles P-C4'-P energy: -98.332
tors. eta vs tors. theta energy: -196.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2209.663151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.663151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.663151 (E_RNA)
where:
Base-Base interactions energy: -1500.469
where: short stacking energy: -644.282
Base-Backbone interact. energy: -4.407
local terms energy: -704.787486
where:
bonds (distance) C4'-P energy: -128.874
bonds (distance) P-C4' energy: -145.904
flat angles C4'-P-C4' energy: -133.464
flat angles P-C4'-P energy: -111.623
tors. eta vs tors. theta energy: -184.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2012.195134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.195134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.195134 (E_RNA)
where:
Base-Base interactions energy: -1337.586
where: short stacking energy: -622.622
Base-Backbone interact. energy: -1.742
local terms energy: -672.866806
where:
bonds (distance) C4'-P energy: -124.906
bonds (distance) P-C4' energy: -129.049
flat angles C4'-P-C4' energy: -144.570
flat angles P-C4'-P energy: -101.424
tors. eta vs tors. theta energy: -172.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1834.680209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.680209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.680209 (E_RNA)
where:
Base-Base interactions energy: -1248.845
where: short stacking energy: -537.117
Base-Backbone interact. energy: 0.867
local terms energy: -586.702115
where:
bonds (distance) C4'-P energy: -124.104
bonds (distance) P-C4' energy: -136.000
flat angles C4'-P-C4' energy: -134.898
flat angles P-C4'-P energy: -74.489
tors. eta vs tors. theta energy: -117.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1492.735905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.735905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.735905 (E_RNA)
where:
Base-Base interactions energy: -951.551
where: short stacking energy: -437.372
Base-Backbone interact. energy: -1.581
local terms energy: -539.603847
where:
bonds (distance) C4'-P energy: -135.333
bonds (distance) P-C4' energy: -112.279
flat angles C4'-P-C4' energy: -107.354
flat angles P-C4'-P energy: -84.419
tors. eta vs tors. theta energy: -100.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1293.518566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.518566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.518566 (E_RNA)
where:
Base-Base interactions energy: -792.653
where: short stacking energy: -406.973
Base-Backbone interact. energy: 0.980
local terms energy: -501.845624
where:
bonds (distance) C4'-P energy: -82.478
bonds (distance) P-C4' energy: -130.935
flat angles C4'-P-C4' energy: -112.420
flat angles P-C4'-P energy: -88.772
tors. eta vs tors. theta energy: -87.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -977.197369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.197369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.197369 (E_RNA)
where:
Base-Base interactions energy: -516.052
where: short stacking energy: -266.787
Base-Backbone interact. energy: 1.839
local terms energy: -462.983945
where:
bonds (distance) C4'-P energy: -117.773
bonds (distance) P-C4' energy: -138.274
flat angles C4'-P-C4' energy: -117.948
flat angles P-C4'-P energy: -71.018
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -775.831065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.831065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.831065 (E_RNA)
where:
Base-Base interactions energy: -382.941
where: short stacking energy: -211.058
Base-Backbone interact. energy: -0.523
local terms energy: -392.366579
where:
bonds (distance) C4'-P energy: -117.777
bonds (distance) P-C4' energy: -113.151
flat angles C4'-P-C4' energy: -116.095
flat angles P-C4'-P energy: -58.679
tors. eta vs tors. theta energy: 13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2519.455129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.455129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.455129 (E_RNA)
where:
Base-Base interactions energy: -1748.268
where: short stacking energy: -743.813
Base-Backbone interact. energy: -2.224
local terms energy: -768.963149
where:
bonds (distance) C4'-P energy: -131.518
bonds (distance) P-C4' energy: -146.294
flat angles C4'-P-C4' energy: -174.810
flat angles P-C4'-P energy: -106.741
tors. eta vs tors. theta energy: -209.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2449.421931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.421931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.421931 (E_RNA)
where:
Base-Base interactions energy: -1677.899
where: short stacking energy: -710.181
Base-Backbone interact. energy: -5.151
local terms energy: -766.372232
where:
bonds (distance) C4'-P energy: -144.325
bonds (distance) P-C4' energy: -154.845
flat angles C4'-P-C4' energy: -164.793
flat angles P-C4'-P energy: -108.973
tors. eta vs tors. theta energy: -193.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2272.125494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.125494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.125494 (E_RNA)
where:
Base-Base interactions energy: -1530.716
where: short stacking energy: -661.988
Base-Backbone interact. energy: -2.873
local terms energy: -738.536255
where:
bonds (distance) C4'-P energy: -143.807
bonds (distance) P-C4' energy: -143.935
flat angles C4'-P-C4' energy: -154.688
flat angles P-C4'-P energy: -102.302
tors. eta vs tors. theta energy: -193.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2140.672554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.672554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.672554 (E_RNA)
where:
Base-Base interactions energy: -1414.463
where: short stacking energy: -625.608
Base-Backbone interact. energy: 1.789
local terms energy: -727.997963
where:
bonds (distance) C4'-P energy: -135.451
bonds (distance) P-C4' energy: -146.007
flat angles C4'-P-C4' energy: -167.130
flat angles P-C4'-P energy: -104.491
tors. eta vs tors. theta energy: -174.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2034.544579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.544579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.544579 (E_RNA)
where:
Base-Base interactions energy: -1361.330
where: short stacking energy: -602.989
Base-Backbone interact. energy: -1.091
local terms energy: -672.124212
where:
bonds (distance) C4'-P energy: -120.795
bonds (distance) P-C4' energy: -140.436
flat angles C4'-P-C4' energy: -157.727
flat angles P-C4'-P energy: -95.536
tors. eta vs tors. theta energy: -157.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1833.074260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.074260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.074260 (E_RNA)
where:
Base-Base interactions energy: -1206.896
where: short stacking energy: -517.628
Base-Backbone interact. energy: 2.716
local terms energy: -628.894631
where:
bonds (distance) C4'-P energy: -130.639
bonds (distance) P-C4' energy: -127.429
flat angles C4'-P-C4' energy: -152.707
flat angles P-C4'-P energy: -87.430
tors. eta vs tors. theta energy: -130.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1433.754863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.754863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.754863 (E_RNA)
where:
Base-Base interactions energy: -890.389
where: short stacking energy: -440.315
Base-Backbone interact. energy: -1.988
local terms energy: -541.377813
where:
bonds (distance) C4'-P energy: -104.508
bonds (distance) P-C4' energy: -114.922
flat angles C4'-P-C4' energy: -137.490
flat angles P-C4'-P energy: -98.476
tors. eta vs tors. theta energy: -85.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1331.659069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.659069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.659069 (E_RNA)
where:
Base-Base interactions energy: -796.778
where: short stacking energy: -408.777
Base-Backbone interact. energy: 1.330
local terms energy: -536.211325
where:
bonds (distance) C4'-P energy: -126.745
bonds (distance) P-C4' energy: -123.891
flat angles C4'-P-C4' energy: -131.426
flat angles P-C4'-P energy: -81.902
tors. eta vs tors. theta energy: -72.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -999.877323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.877323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.877323 (E_RNA)
where:
Base-Base interactions energy: -555.800
where: short stacking energy: -313.009
Base-Backbone interact. energy: 0.629
local terms energy: -444.706106
where:
bonds (distance) C4'-P energy: -108.241
bonds (distance) P-C4' energy: -127.757
flat angles C4'-P-C4' energy: -88.559
flat angles P-C4'-P energy: -79.408
tors. eta vs tors. theta energy: -40.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -755.617998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.617998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.617998 (E_RNA)
where:
Base-Base interactions energy: -361.367
where: short stacking energy: -232.492
Base-Backbone interact. energy: 6.495
local terms energy: -400.746009
where:
bonds (distance) C4'-P energy: -106.298
bonds (distance) P-C4' energy: -118.653
flat angles C4'-P-C4' energy: -106.970
flat angles P-C4'-P energy: -49.458
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2524.949879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.949879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.949879 (E_RNA)
where:
Base-Base interactions energy: -1745.094
where: short stacking energy: -713.393
Base-Backbone interact. energy: -4.195
local terms energy: -775.660174
where:
bonds (distance) C4'-P energy: -140.502
bonds (distance) P-C4' energy: -151.472
flat angles C4'-P-C4' energy: -158.366
flat angles P-C4'-P energy: -113.934
tors. eta vs tors. theta energy: -211.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2427.798715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.798715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.798715 (E_RNA)
where:
Base-Base interactions energy: -1670.058
where: short stacking energy: -692.414
Base-Backbone interact. energy: -1.485
local terms energy: -756.255015
where:
bonds (distance) C4'-P energy: -129.713
bonds (distance) P-C4' energy: -141.736
flat angles C4'-P-C4' energy: -175.433
flat angles P-C4'-P energy: -114.630
tors. eta vs tors. theta energy: -194.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2171.092735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.092735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.092735 (E_RNA)
where:
Base-Base interactions energy: -1497.677
where: short stacking energy: -671.775
Base-Backbone interact. energy: -1.758
local terms energy: -671.657556
where:
bonds (distance) C4'-P energy: -109.592
bonds (distance) P-C4' energy: -131.705
flat angles C4'-P-C4' energy: -162.438
flat angles P-C4'-P energy: -99.198
tors. eta vs tors. theta energy: -168.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2145.131506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.131506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.131506 (E_RNA)
where:
Base-Base interactions energy: -1422.417
where: short stacking energy: -644.347
Base-Backbone interact. energy: -0.299
local terms energy: -722.414727
where:
bonds (distance) C4'-P energy: -134.793
bonds (distance) P-C4' energy: -143.166
flat angles C4'-P-C4' energy: -160.366
flat angles P-C4'-P energy: -97.527
tors. eta vs tors. theta energy: -186.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2005.315226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.315226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.315226 (E_RNA)
where:
Base-Base interactions energy: -1341.562
where: short stacking energy: -605.307
Base-Backbone interact. energy: -2.602
local terms energy: -661.151332
where:
bonds (distance) C4'-P energy: -124.724
bonds (distance) P-C4' energy: -122.388
flat angles C4'-P-C4' energy: -164.244
flat angles P-C4'-P energy: -89.283
tors. eta vs tors. theta energy: -160.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1774.798886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.798886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.798886 (E_RNA)
where:
Base-Base interactions energy: -1172.918
where: short stacking energy: -500.706
Base-Backbone interact. energy: -0.522
local terms energy: -601.358998
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -126.636
flat angles C4'-P-C4' energy: -133.496
flat angles P-C4'-P energy: -96.346
tors. eta vs tors. theta energy: -121.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1421.833352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.833352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.833352 (E_RNA)
where:
Base-Base interactions energy: -898.274
where: short stacking energy: -397.859
Base-Backbone interact. energy: -1.276
local terms energy: -522.283365
where:
bonds (distance) C4'-P energy: -139.165
bonds (distance) P-C4' energy: -122.250
flat angles C4'-P-C4' energy: -104.627
flat angles P-C4'-P energy: -74.246
tors. eta vs tors. theta energy: -81.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1304.321398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.321398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.321398 (E_RNA)
where:
Base-Base interactions energy: -792.758
where: short stacking energy: -403.750
Base-Backbone interact. energy: -2.105
local terms energy: -509.458014
where:
bonds (distance) C4'-P energy: -127.706
bonds (distance) P-C4' energy: -134.120
flat angles C4'-P-C4' energy: -108.553
flat angles P-C4'-P energy: -58.007
tors. eta vs tors. theta energy: -81.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -994.007672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.007672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.007672 (E_RNA)
where:
Base-Base interactions energy: -549.168
where: short stacking energy: -284.613
Base-Backbone interact. energy: 1.787
local terms energy: -446.626261
where:
bonds (distance) C4'-P energy: -120.167
bonds (distance) P-C4' energy: -113.748
flat angles C4'-P-C4' energy: -116.449
flat angles P-C4'-P energy: -58.423
tors. eta vs tors. theta energy: -37.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -837.961064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.961064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.961064 (E_RNA)
where:
Base-Base interactions energy: -449.990
where: short stacking energy: -259.949
Base-Backbone interact. energy: 1.768
local terms energy: -389.739121
where:
bonds (distance) C4'-P energy: -98.298
bonds (distance) P-C4' energy: -95.631
flat angles C4'-P-C4' energy: -95.214
flat angles P-C4'-P energy: -78.293
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2526.088827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.088827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.088827 (E_RNA)
where:
Base-Base interactions energy: -1755.693
where: short stacking energy: -710.540
Base-Backbone interact. energy: 1.341
local terms energy: -771.736645
where:
bonds (distance) C4'-P energy: -151.133
bonds (distance) P-C4' energy: -144.197
flat angles C4'-P-C4' energy: -166.272
flat angles P-C4'-P energy: -107.580
tors. eta vs tors. theta energy: -202.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2399.386375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.386375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.386375 (E_RNA)
where:
Base-Base interactions energy: -1653.383
where: short stacking energy: -677.930
Base-Backbone interact. energy: -4.224
local terms energy: -741.778820
where:
bonds (distance) C4'-P energy: -133.925
bonds (distance) P-C4' energy: -150.565
flat angles C4'-P-C4' energy: -164.230
flat angles P-C4'-P energy: -101.673
tors. eta vs tors. theta energy: -191.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2190.755093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.755093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.755093 (E_RNA)
where:
Base-Base interactions energy: -1510.727
where: short stacking energy: -633.727
Base-Backbone interact. energy: 3.767
local terms energy: -683.794441
where:
bonds (distance) C4'-P energy: -144.344
bonds (distance) P-C4' energy: -133.833
flat angles C4'-P-C4' energy: -141.162
flat angles P-C4'-P energy: -90.112
tors. eta vs tors. theta energy: -174.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2122.214514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.214514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.214514 (E_RNA)
where:
Base-Base interactions energy: -1431.972
where: short stacking energy: -628.082
Base-Backbone interact. energy: 1.289
local terms energy: -691.532021
where:
bonds (distance) C4'-P energy: -131.929
bonds (distance) P-C4' energy: -133.653
flat angles C4'-P-C4' energy: -167.985
flat angles P-C4'-P energy: -82.164
tors. eta vs tors. theta energy: -175.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1993.645406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.645406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.645406 (E_RNA)
where:
Base-Base interactions energy: -1326.154
where: short stacking energy: -577.847
Base-Backbone interact. energy: -7.993
local terms energy: -659.498721
where:
bonds (distance) C4'-P energy: -129.462
bonds (distance) P-C4' energy: -135.392
flat angles C4'-P-C4' energy: -139.823
flat angles P-C4'-P energy: -102.663
tors. eta vs tors. theta energy: -152.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1796.006766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.006766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.006766 (E_RNA)
where:
Base-Base interactions energy: -1207.083
where: short stacking energy: -551.632
Base-Backbone interact. energy: -0.966
local terms energy: -587.957774
where:
bonds (distance) C4'-P energy: -120.806
bonds (distance) P-C4' energy: -127.408
flat angles C4'-P-C4' energy: -125.797
flat angles P-C4'-P energy: -89.544
tors. eta vs tors. theta energy: -124.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1414.324875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.324875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.324875 (E_RNA)
where:
Base-Base interactions energy: -873.059
where: short stacking energy: -417.157
Base-Backbone interact. energy: -1.380
local terms energy: -539.885832
where:
bonds (distance) C4'-P energy: -123.466
bonds (distance) P-C4' energy: -102.306
flat angles C4'-P-C4' energy: -134.186
flat angles P-C4'-P energy: -91.497
tors. eta vs tors. theta energy: -88.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1263.271389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.271389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.271389 (E_RNA)
where:
Base-Base interactions energy: -763.024
where: short stacking energy: -350.923
Base-Backbone interact. energy: 2.458
local terms energy: -502.705532
where:
bonds (distance) C4'-P energy: -93.493
bonds (distance) P-C4' energy: -131.613
flat angles C4'-P-C4' energy: -133.423
flat angles P-C4'-P energy: -73.929
tors. eta vs tors. theta energy: -70.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -990.205917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.205917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.205917 (E_RNA)
where:
Base-Base interactions energy: -539.945
where: short stacking energy: -287.682
Base-Backbone interact. energy: 0.277
local terms energy: -450.537288
where:
bonds (distance) C4'-P energy: -110.856
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -114.932
flat angles P-C4'-P energy: -69.878
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -793.928430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.928430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.928430 (E_RNA)
where:
Base-Base interactions energy: -368.302
where: short stacking energy: -187.017
Base-Backbone interact. energy: 0.683
local terms energy: -426.308668
where:
bonds (distance) C4'-P energy: -137.018
bonds (distance) P-C4' energy: -107.499
flat angles C4'-P-C4' energy: -99.047
flat angles P-C4'-P energy: -83.721
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2486.279664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.279664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.279664 (E_RNA)
where:
Base-Base interactions energy: -1730.552
where: short stacking energy: -734.908
Base-Backbone interact. energy: -1.955
local terms energy: -753.773171
where:
bonds (distance) C4'-P energy: -131.183
bonds (distance) P-C4' energy: -153.789
flat angles C4'-P-C4' energy: -160.212
flat angles P-C4'-P energy: -103.328
tors. eta vs tors. theta energy: -205.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2389.802126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.802126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.802126 (E_RNA)
where:
Base-Base interactions energy: -1651.553
where: short stacking energy: -698.658
Base-Backbone interact. energy: -2.107
local terms energy: -736.141628
where:
bonds (distance) C4'-P energy: -147.188
bonds (distance) P-C4' energy: -134.573
flat angles C4'-P-C4' energy: -154.496
flat angles P-C4'-P energy: -106.697
tors. eta vs tors. theta energy: -193.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2247.277683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.277683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.277683 (E_RNA)
where:
Base-Base interactions energy: -1533.015
where: short stacking energy: -659.022
Base-Backbone interact. energy: -3.740
local terms energy: -710.521950
where:
bonds (distance) C4'-P energy: -134.119
bonds (distance) P-C4' energy: -132.987
flat angles C4'-P-C4' energy: -158.308
flat angles P-C4'-P energy: -97.220
tors. eta vs tors. theta energy: -187.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2133.977138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.977138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.977138 (E_RNA)
where:
Base-Base interactions energy: -1434.034
where: short stacking energy: -610.788
Base-Backbone interact. energy: -2.364
local terms energy: -697.579577
where:
bonds (distance) C4'-P energy: -121.968
bonds (distance) P-C4' energy: -141.544
flat angles C4'-P-C4' energy: -163.510
flat angles P-C4'-P energy: -99.018
tors. eta vs tors. theta energy: -171.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1945.413224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.413224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.413224 (E_RNA)
where:
Base-Base interactions energy: -1283.808
where: short stacking energy: -565.565
Base-Backbone interact. energy: -4.762
local terms energy: -656.843546
where:
bonds (distance) C4'-P energy: -120.220
bonds (distance) P-C4' energy: -138.975
flat angles C4'-P-C4' energy: -147.252
flat angles P-C4'-P energy: -95.639
tors. eta vs tors. theta energy: -154.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1856.204148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.204148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.204148 (E_RNA)
where:
Base-Base interactions energy: -1229.693
where: short stacking energy: -503.598
Base-Backbone interact. energy: -2.020
local terms energy: -624.491639
where:
bonds (distance) C4'-P energy: -147.649
bonds (distance) P-C4' energy: -142.574
flat angles C4'-P-C4' energy: -129.928
flat angles P-C4'-P energy: -79.708
tors. eta vs tors. theta energy: -124.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1485.350666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.350666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.350666 (E_RNA)
where:
Base-Base interactions energy: -896.595
where: short stacking energy: -449.155
Base-Backbone interact. energy: 3.890
local terms energy: -592.645959
where:
bonds (distance) C4'-P energy: -136.364
bonds (distance) P-C4' energy: -128.571
flat angles C4'-P-C4' energy: -135.568
flat angles P-C4'-P energy: -90.235
tors. eta vs tors. theta energy: -101.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1303.557033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.557033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.557033 (E_RNA)
where:
Base-Base interactions energy: -780.869
where: short stacking energy: -388.196
Base-Backbone interact. energy: 5.687
local terms energy: -528.374665
where:
bonds (distance) C4'-P energy: -108.863
bonds (distance) P-C4' energy: -136.594
flat angles C4'-P-C4' energy: -124.110
flat angles P-C4'-P energy: -79.012
tors. eta vs tors. theta energy: -79.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -997.099973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.099973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.099973 (E_RNA)
where:
Base-Base interactions energy: -542.947
where: short stacking energy: -304.923
Base-Backbone interact. energy: 2.805
local terms energy: -456.958718
where:
bonds (distance) C4'-P energy: -116.696
bonds (distance) P-C4' energy: -122.390
flat angles C4'-P-C4' energy: -113.307
flat angles P-C4'-P energy: -70.678
tors. eta vs tors. theta energy: -33.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -764.235230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.235230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.235230 (E_RNA)
where:
Base-Base interactions energy: -394.118
where: short stacking energy: -219.369
Base-Backbone interact. energy: 0.761
local terms energy: -370.878433
where:
bonds (distance) C4'-P energy: -116.610
bonds (distance) P-C4' energy: -112.174
flat angles C4'-P-C4' energy: -96.197
flat angles P-C4'-P energy: -64.513
tors. eta vs tors. theta energy: 18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2472.500206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.500206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.500206 (E_RNA)
where:
Base-Base interactions energy: -1706.696
where: short stacking energy: -716.303
Base-Backbone interact. energy: -3.621
local terms energy: -762.183809
where:
bonds (distance) C4'-P energy: -139.074
bonds (distance) P-C4' energy: -136.331
flat angles C4'-P-C4' energy: -175.372
flat angles P-C4'-P energy: -119.104
tors. eta vs tors. theta energy: -192.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2409.856402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.856402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.856402 (E_RNA)
where:
Base-Base interactions energy: -1639.466
where: short stacking energy: -713.663
Base-Backbone interact. energy: -2.799
local terms energy: -767.591697
where:
bonds (distance) C4'-P energy: -137.486
bonds (distance) P-C4' energy: -150.695
flat angles C4'-P-C4' energy: -163.331
flat angles P-C4'-P energy: -109.579
tors. eta vs tors. theta energy: -206.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2230.960800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.960800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.960800 (E_RNA)
where:
Base-Base interactions energy: -1498.695
where: short stacking energy: -677.443
Base-Backbone interact. energy: -0.258
local terms energy: -732.007965
where:
bonds (distance) C4'-P energy: -134.122
bonds (distance) P-C4' energy: -135.687
flat angles C4'-P-C4' energy: -150.568
flat angles P-C4'-P energy: -123.464
tors. eta vs tors. theta energy: -188.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2099.809583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.809583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.809583 (E_RNA)
where:
Base-Base interactions energy: -1428.614
where: short stacking energy: -611.373
Base-Backbone interact. energy: 0.068
local terms energy: -671.263895
where:
bonds (distance) C4'-P energy: -126.791
bonds (distance) P-C4' energy: -142.635
flat angles C4'-P-C4' energy: -148.484
flat angles P-C4'-P energy: -101.647
tors. eta vs tors. theta energy: -151.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2007.976073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.976073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.976073 (E_RNA)
where:
Base-Base interactions energy: -1376.340
where: short stacking energy: -612.410
Base-Backbone interact. energy: -1.808
local terms energy: -629.828078
where:
bonds (distance) C4'-P energy: -132.995
bonds (distance) P-C4' energy: -118.738
flat angles C4'-P-C4' energy: -133.051
flat angles P-C4'-P energy: -84.006
tors. eta vs tors. theta energy: -161.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1813.814787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.814787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.814787 (E_RNA)
where:
Base-Base interactions energy: -1202.718
where: short stacking energy: -539.278
Base-Backbone interact. energy: -1.998
local terms energy: -609.098439
where:
bonds (distance) C4'-P energy: -122.541
bonds (distance) P-C4' energy: -125.605
flat angles C4'-P-C4' energy: -141.301
flat angles P-C4'-P energy: -82.834
tors. eta vs tors. theta energy: -136.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1426.763682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.763682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.763682 (E_RNA)
where:
Base-Base interactions energy: -896.567
where: short stacking energy: -403.665
Base-Backbone interact. energy: -2.317
local terms energy: -527.880062
where:
bonds (distance) C4'-P energy: -114.903
bonds (distance) P-C4' energy: -127.751
flat angles C4'-P-C4' energy: -137.178
flat angles P-C4'-P energy: -82.559
tors. eta vs tors. theta energy: -65.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1301.968364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.968364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.968364 (E_RNA)
where:
Base-Base interactions energy: -806.602
where: short stacking energy: -386.680
Base-Backbone interact. energy: 2.935
local terms energy: -498.300856
where:
bonds (distance) C4'-P energy: -107.851
bonds (distance) P-C4' energy: -120.262
flat angles C4'-P-C4' energy: -128.235
flat angles P-C4'-P energy: -74.696
tors. eta vs tors. theta energy: -67.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -965.954755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.954755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.954755 (E_RNA)
where:
Base-Base interactions energy: -512.872
where: short stacking energy: -271.906
Base-Backbone interact. energy: 0.518
local terms energy: -453.600879
where:
bonds (distance) C4'-P energy: -125.115
bonds (distance) P-C4' energy: -118.547
flat angles C4'-P-C4' energy: -116.316
flat angles P-C4'-P energy: -72.214
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -790.473430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.473430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.473430 (E_RNA)
where:
Base-Base interactions energy: -399.692
where: short stacking energy: -189.194
Base-Backbone interact. energy: -1.750
local terms energy: -389.031640
where:
bonds (distance) C4'-P energy: -125.491
bonds (distance) P-C4' energy: -135.043
flat angles C4'-P-C4' energy: -97.875
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: 16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2501.323346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.323346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.323346 (E_RNA)
where:
Base-Base interactions energy: -1735.357
where: short stacking energy: -736.463
Base-Backbone interact. energy: -5.757
local terms energy: -760.209415
where:
bonds (distance) C4'-P energy: -143.250
bonds (distance) P-C4' energy: -143.255
flat angles C4'-P-C4' energy: -155.113
flat angles P-C4'-P energy: -105.860
tors. eta vs tors. theta energy: -212.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2431.171824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.171824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.171824 (E_RNA)
where:
Base-Base interactions energy: -1695.691
where: short stacking energy: -723.829
Base-Backbone interact. energy: 0.615
local terms energy: -736.096135
where:
bonds (distance) C4'-P energy: -136.617
bonds (distance) P-C4' energy: -137.787
flat angles C4'-P-C4' energy: -161.639
flat angles P-C4'-P energy: -101.199
tors. eta vs tors. theta energy: -198.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2243.529606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.529606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.529606 (E_RNA)
where:
Base-Base interactions energy: -1517.908
where: short stacking energy: -662.176
Base-Backbone interact. energy: -0.567
local terms energy: -725.053916
where:
bonds (distance) C4'-P energy: -136.960
bonds (distance) P-C4' energy: -130.066
flat angles C4'-P-C4' energy: -161.585
flat angles P-C4'-P energy: -108.409
tors. eta vs tors. theta energy: -188.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2150.997665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.997665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.997665 (E_RNA)
where:
Base-Base interactions energy: -1458.681
where: short stacking energy: -616.125
Base-Backbone interact. energy: -6.645
local terms energy: -685.671887
where:
bonds (distance) C4'-P energy: -155.079
bonds (distance) P-C4' energy: -128.499
flat angles C4'-P-C4' energy: -142.939
flat angles P-C4'-P energy: -91.076
tors. eta vs tors. theta energy: -168.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2021.182734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.182734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.182734 (E_RNA)
where:
Base-Base interactions energy: -1365.049
where: short stacking energy: -588.737
Base-Backbone interact. energy: -0.338
local terms energy: -655.795295
where:
bonds (distance) C4'-P energy: -128.663
bonds (distance) P-C4' energy: -126.568
flat angles C4'-P-C4' energy: -145.808
flat angles P-C4'-P energy: -91.456
tors. eta vs tors. theta energy: -163.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1791.092970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.092970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.092970 (E_RNA)
where:
Base-Base interactions energy: -1153.481
where: short stacking energy: -501.536
Base-Backbone interact. energy: -4.900
local terms energy: -632.712499
where:
bonds (distance) C4'-P energy: -131.173
bonds (distance) P-C4' energy: -142.016
flat angles C4'-P-C4' energy: -138.895
flat angles P-C4'-P energy: -89.382
tors. eta vs tors. theta energy: -131.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1521.597811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.597811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.597811 (E_RNA)
where:
Base-Base interactions energy: -949.497
where: short stacking energy: -446.530
Base-Backbone interact. energy: 2.980
local terms energy: -575.081241
where:
bonds (distance) C4'-P energy: -130.303
bonds (distance) P-C4' energy: -123.608
flat angles C4'-P-C4' energy: -127.275
flat angles P-C4'-P energy: -86.877
tors. eta vs tors. theta energy: -107.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1262.358968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.358968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.358968 (E_RNA)
where:
Base-Base interactions energy: -748.580
where: short stacking energy: -364.162
Base-Backbone interact. energy: -4.663
local terms energy: -509.115909
where:
bonds (distance) C4'-P energy: -121.546
bonds (distance) P-C4' energy: -129.303
flat angles C4'-P-C4' energy: -126.163
flat angles P-C4'-P energy: -85.963
tors. eta vs tors. theta energy: -46.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1005.458989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.458989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.458989 (E_RNA)
where:
Base-Base interactions energy: -539.264
where: short stacking energy: -297.902
Base-Backbone interact. energy: -2.253
local terms energy: -463.941434
where:
bonds (distance) C4'-P energy: -127.397
bonds (distance) P-C4' energy: -133.643
flat angles C4'-P-C4' energy: -109.018
flat angles P-C4'-P energy: -67.749
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -792.551183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.551183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.551183 (E_RNA)
where:
Base-Base interactions energy: -393.914
where: short stacking energy: -221.780
Base-Backbone interact. energy: 0.235
local terms energy: -398.872747
where:
bonds (distance) C4'-P energy: -115.691
bonds (distance) P-C4' energy: -118.148
flat angles C4'-P-C4' energy: -99.569
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -18.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2518.659110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.659110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.659110 (E_RNA)
where:
Base-Base interactions energy: -1727.345
where: short stacking energy: -737.165
Base-Backbone interact. energy: -4.821
local terms energy: -786.492601
where:
bonds (distance) C4'-P energy: -145.052
bonds (distance) P-C4' energy: -147.335
flat angles C4'-P-C4' energy: -162.979
flat angles P-C4'-P energy: -115.988
tors. eta vs tors. theta energy: -215.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2475.721625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.721625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.721625 (E_RNA)
where:
Base-Base interactions energy: -1680.353
where: short stacking energy: -699.751
Base-Backbone interact. energy: -3.652
local terms energy: -791.716132
where:
bonds (distance) C4'-P energy: -133.415
bonds (distance) P-C4' energy: -159.742
flat angles C4'-P-C4' energy: -167.412
flat angles P-C4'-P energy: -124.375
tors. eta vs tors. theta energy: -206.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2253.244117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.244117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.244117 (E_RNA)
where:
Base-Base interactions energy: -1521.183
where: short stacking energy: -710.060
Base-Backbone interact. energy: -4.238
local terms energy: -727.823918
where:
bonds (distance) C4'-P energy: -130.092
bonds (distance) P-C4' energy: -134.104
flat angles C4'-P-C4' energy: -169.644
flat angles P-C4'-P energy: -95.155
tors. eta vs tors. theta energy: -198.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2110.011205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.011205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.011205 (E_RNA)
where:
Base-Base interactions energy: -1447.549
where: short stacking energy: -604.617
Base-Backbone interact. energy: 1.236
local terms energy: -663.698310
where:
bonds (distance) C4'-P energy: -127.784
bonds (distance) P-C4' energy: -132.108
flat angles C4'-P-C4' energy: -160.360
flat angles P-C4'-P energy: -96.878
tors. eta vs tors. theta energy: -146.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2020.758556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.758556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.758556 (E_RNA)
where:
Base-Base interactions energy: -1364.320
where: short stacking energy: -597.290
Base-Backbone interact. energy: -2.112
local terms energy: -654.326506
where:
bonds (distance) C4'-P energy: -117.151
bonds (distance) P-C4' energy: -138.220
flat angles C4'-P-C4' energy: -140.981
flat angles P-C4'-P energy: -92.509
tors. eta vs tors. theta energy: -165.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1795.827111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.827111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.827111 (E_RNA)
where:
Base-Base interactions energy: -1192.812
where: short stacking energy: -529.157
Base-Backbone interact. energy: 1.533
local terms energy: -604.548935
where:
bonds (distance) C4'-P energy: -124.920
bonds (distance) P-C4' energy: -136.733
flat angles C4'-P-C4' energy: -148.647
flat angles P-C4'-P energy: -79.214
tors. eta vs tors. theta energy: -115.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1526.414680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.414680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.414680 (E_RNA)
where:
Base-Base interactions energy: -942.701
where: short stacking energy: -435.989
Base-Backbone interact. energy: -4.553
local terms energy: -579.161530
where:
bonds (distance) C4'-P energy: -115.752
bonds (distance) P-C4' energy: -142.035
flat angles C4'-P-C4' energy: -128.125
flat angles P-C4'-P energy: -82.207
tors. eta vs tors. theta energy: -111.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1237.125703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.125703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.125703 (E_RNA)
where:
Base-Base interactions energy: -734.812
where: short stacking energy: -348.876
Base-Backbone interact. energy: -0.983
local terms energy: -501.330361
where:
bonds (distance) C4'-P energy: -118.993
bonds (distance) P-C4' energy: -138.600
flat angles C4'-P-C4' energy: -128.008
flat angles P-C4'-P energy: -67.070
tors. eta vs tors. theta energy: -48.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -987.547123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.547123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.547123 (E_RNA)
where:
Base-Base interactions energy: -530.199
where: short stacking energy: -266.897
Base-Backbone interact. energy: -4.143
local terms energy: -453.205135
where:
bonds (distance) C4'-P energy: -111.242
bonds (distance) P-C4' energy: -134.760
flat angles C4'-P-C4' energy: -115.224
flat angles P-C4'-P energy: -65.195
tors. eta vs tors. theta energy: -26.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -833.854629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.854629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.854629 (E_RNA)
where:
Base-Base interactions energy: -428.897
where: short stacking energy: -238.123
Base-Backbone interact. energy: 0.501
local terms energy: -405.458355
where:
bonds (distance) C4'-P energy: -117.924
bonds (distance) P-C4' energy: -114.674
flat angles C4'-P-C4' energy: -99.860
flat angles P-C4'-P energy: -65.157
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2494.992930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.992930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.992930 (E_RNA)
where:
Base-Base interactions energy: -1740.932
where: short stacking energy: -730.856
Base-Backbone interact. energy: -2.254
local terms energy: -751.806751
where:
bonds (distance) C4'-P energy: -130.733
bonds (distance) P-C4' energy: -153.212
flat angles C4'-P-C4' energy: -166.673
flat angles P-C4'-P energy: -103.461
tors. eta vs tors. theta energy: -197.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2438.526221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.526221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.526221 (E_RNA)
where:
Base-Base interactions energy: -1662.768
where: short stacking energy: -702.134
Base-Backbone interact. energy: 4.419
local terms energy: -780.176894
where:
bonds (distance) C4'-P energy: -140.323
bonds (distance) P-C4' energy: -155.953
flat angles C4'-P-C4' energy: -159.417
flat angles P-C4'-P energy: -112.609
tors. eta vs tors. theta energy: -211.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2286.845190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.845190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.845190 (E_RNA)
where:
Base-Base interactions energy: -1555.538
where: short stacking energy: -694.931
Base-Backbone interact. energy: 1.586
local terms energy: -732.893185
where:
bonds (distance) C4'-P energy: -128.276
bonds (distance) P-C4' energy: -136.009
flat angles C4'-P-C4' energy: -159.315
flat angles P-C4'-P energy: -111.707
tors. eta vs tors. theta energy: -197.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2171.464378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.464378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.464378 (E_RNA)
where:
Base-Base interactions energy: -1504.108
where: short stacking energy: -629.344
Base-Backbone interact. energy: 0.044
local terms energy: -667.400138
where:
bonds (distance) C4'-P energy: -121.172
bonds (distance) P-C4' energy: -136.468
flat angles C4'-P-C4' energy: -150.635
flat angles P-C4'-P energy: -71.300
tors. eta vs tors. theta energy: -187.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -2003.237892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.237892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.237892 (E_RNA)
where:
Base-Base interactions energy: -1340.395
where: short stacking energy: -568.300
Base-Backbone interact. energy: -5.584
local terms energy: -657.258322
where:
bonds (distance) C4'-P energy: -131.896
bonds (distance) P-C4' energy: -136.756
flat angles C4'-P-C4' energy: -152.635
flat angles P-C4'-P energy: -86.949
tors. eta vs tors. theta energy: -149.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1732.796973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.796973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.796973 (E_RNA)
where:
Base-Base interactions energy: -1098.836
where: short stacking energy: -490.236
Base-Backbone interact. energy: -2.149
local terms energy: -631.812494
where:
bonds (distance) C4'-P energy: -133.428
bonds (distance) P-C4' energy: -145.325
flat angles C4'-P-C4' energy: -147.909
flat angles P-C4'-P energy: -96.674
tors. eta vs tors. theta energy: -108.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1511.610574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.610574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.610574 (E_RNA)
where:
Base-Base interactions energy: -980.615
where: short stacking energy: -459.116
Base-Backbone interact. energy: -0.594
local terms energy: -530.401542
where:
bonds (distance) C4'-P energy: -131.046
bonds (distance) P-C4' energy: -130.296
flat angles C4'-P-C4' energy: -114.262
flat angles P-C4'-P energy: -70.645
tors. eta vs tors. theta energy: -84.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1259.189115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.189115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.189115 (E_RNA)
where:
Base-Base interactions energy: -769.244
where: short stacking energy: -390.639
Base-Backbone interact. energy: -2.890
local terms energy: -487.055253
where:
bonds (distance) C4'-P energy: -111.463
bonds (distance) P-C4' energy: -105.429
flat angles C4'-P-C4' energy: -111.170
flat angles P-C4'-P energy: -83.334
tors. eta vs tors. theta energy: -75.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -990.930991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.930991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.930991 (E_RNA)
where:
Base-Base interactions energy: -554.545
where: short stacking energy: -286.231
Base-Backbone interact. energy: -0.572
local terms energy: -435.814059
where:
bonds (distance) C4'-P energy: -99.401
bonds (distance) P-C4' energy: -119.018
flat angles C4'-P-C4' energy: -130.675
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -830.982904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.982904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.982904 (E_RNA)
where:
Base-Base interactions energy: -402.219
where: short stacking energy: -219.489
Base-Backbone interact. energy: 0.784
local terms energy: -429.547303
where:
bonds (distance) C4'-P energy: -128.785
bonds (distance) P-C4' energy: -123.931
flat angles C4'-P-C4' energy: -111.578
flat angles P-C4'-P energy: -62.560
tors. eta vs tors. theta energy: -2.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2508.967927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.967927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.967927 (E_RNA)
where:
Base-Base interactions energy: -1732.850
where: short stacking energy: -736.781
Base-Backbone interact. energy: -0.047
local terms energy: -776.070945
where:
bonds (distance) C4'-P energy: -147.579
bonds (distance) P-C4' energy: -142.712
flat angles C4'-P-C4' energy: -170.994
flat angles P-C4'-P energy: -110.719
tors. eta vs tors. theta energy: -204.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2416.647706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.647706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.647706 (E_RNA)
where:
Base-Base interactions energy: -1636.173
where: short stacking energy: -696.722
Base-Backbone interact. energy: -6.191
local terms energy: -774.283534
where:
bonds (distance) C4'-P energy: -158.677
bonds (distance) P-C4' energy: -131.066
flat angles C4'-P-C4' energy: -168.461
flat angles P-C4'-P energy: -121.245
tors. eta vs tors. theta energy: -194.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2203.856243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.856243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.856243 (E_RNA)
where:
Base-Base interactions energy: -1487.761
where: short stacking energy: -670.165
Base-Backbone interact. energy: -1.893
local terms energy: -714.202841
where:
bonds (distance) C4'-P energy: -139.654
bonds (distance) P-C4' energy: -131.911
flat angles C4'-P-C4' energy: -157.245
flat angles P-C4'-P energy: -95.176
tors. eta vs tors. theta energy: -190.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2186.171690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.171690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.171690 (E_RNA)
where:
Base-Base interactions energy: -1521.031
where: short stacking energy: -617.839
Base-Backbone interact. energy: -0.792
local terms energy: -664.348755
where:
bonds (distance) C4'-P energy: -128.507
bonds (distance) P-C4' energy: -130.031
flat angles C4'-P-C4' energy: -154.837
flat angles P-C4'-P energy: -86.318
tors. eta vs tors. theta energy: -164.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2002.323721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.323721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.323721 (E_RNA)
where:
Base-Base interactions energy: -1341.066
where: short stacking energy: -553.996
Base-Backbone interact. energy: 0.545
local terms energy: -661.802484
where:
bonds (distance) C4'-P energy: -127.044
bonds (distance) P-C4' energy: -132.418
flat angles C4'-P-C4' energy: -134.744
flat angles P-C4'-P energy: -109.282
tors. eta vs tors. theta energy: -158.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1790.144263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.144263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.144263 (E_RNA)
where:
Base-Base interactions energy: -1178.093
where: short stacking energy: -511.824
Base-Backbone interact. energy: -0.710
local terms energy: -611.341157
where:
bonds (distance) C4'-P energy: -131.330
bonds (distance) P-C4' energy: -134.112
flat angles C4'-P-C4' energy: -139.807
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -123.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1545.047411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.047411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.047411 (E_RNA)
where:
Base-Base interactions energy: -985.910
where: short stacking energy: -466.525
Base-Backbone interact. energy: -2.528
local terms energy: -556.609532
where:
bonds (distance) C4'-P energy: -122.465
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -126.281
flat angles P-C4'-P energy: -59.511
tors. eta vs tors. theta energy: -111.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1314.296564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.296564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.296564 (E_RNA)
where:
Base-Base interactions energy: -806.353
where: short stacking energy: -378.723
Base-Backbone interact. energy: -2.149
local terms energy: -505.794493
where:
bonds (distance) C4'-P energy: -117.693
bonds (distance) P-C4' energy: -124.066
flat angles C4'-P-C4' energy: -109.391
flat angles P-C4'-P energy: -91.997
tors. eta vs tors. theta energy: -62.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -993.180516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.180516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.180516 (E_RNA)
where:
Base-Base interactions energy: -543.794
where: short stacking energy: -286.725
Base-Backbone interact. energy: -0.279
local terms energy: -449.108003
where:
bonds (distance) C4'-P energy: -109.858
bonds (distance) P-C4' energy: -106.816
flat angles C4'-P-C4' energy: -110.645
flat angles P-C4'-P energy: -68.164
tors. eta vs tors. theta energy: -53.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -866.744022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.744022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.744022 (E_RNA)
where:
Base-Base interactions energy: -426.994
where: short stacking energy: -223.143
Base-Backbone interact. energy: 2.501
local terms energy: -442.250933
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -128.528
flat angles C4'-P-C4' energy: -115.360
flat angles P-C4'-P energy: -60.916
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2508.982033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.982033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.982033 (E_RNA)
where:
Base-Base interactions energy: -1723.705
where: short stacking energy: -718.182
Base-Backbone interact. energy: -1.120
local terms energy: -784.156799
where:
bonds (distance) C4'-P energy: -147.443
bonds (distance) P-C4' energy: -150.829
flat angles C4'-P-C4' energy: -157.588
flat angles P-C4'-P energy: -120.294
tors. eta vs tors. theta energy: -208.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2431.193174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.193174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.193174 (E_RNA)
where:
Base-Base interactions energy: -1688.694
where: short stacking energy: -715.626
Base-Backbone interact. energy: -1.609
local terms energy: -740.889961
where:
bonds (distance) C4'-P energy: -130.502
bonds (distance) P-C4' energy: -136.666
flat angles C4'-P-C4' energy: -167.516
flat angles P-C4'-P energy: -110.283
tors. eta vs tors. theta energy: -195.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2233.035181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.035181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.035181 (E_RNA)
where:
Base-Base interactions energy: -1494.471
where: short stacking energy: -652.131
Base-Backbone interact. energy: -0.232
local terms energy: -738.332706
where:
bonds (distance) C4'-P energy: -147.800
bonds (distance) P-C4' energy: -145.566
flat angles C4'-P-C4' energy: -154.726
flat angles P-C4'-P energy: -106.922
tors. eta vs tors. theta energy: -183.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2219.631514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.631514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.631514 (E_RNA)
where:
Base-Base interactions energy: -1555.744
where: short stacking energy: -654.646
Base-Backbone interact. energy: -5.741
local terms energy: -658.146427
where:
bonds (distance) C4'-P energy: -119.851
bonds (distance) P-C4' energy: -126.030
flat angles C4'-P-C4' energy: -148.671
flat angles P-C4'-P energy: -89.102
tors. eta vs tors. theta energy: -174.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2013.434986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.434986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.434986 (E_RNA)
where:
Base-Base interactions energy: -1352.020
where: short stacking energy: -623.043
Base-Backbone interact. energy: -2.768
local terms energy: -658.647507
where:
bonds (distance) C4'-P energy: -111.511
bonds (distance) P-C4' energy: -118.407
flat angles C4'-P-C4' energy: -149.326
flat angles P-C4'-P energy: -97.846
tors. eta vs tors. theta energy: -181.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1763.055576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.055576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.055576 (E_RNA)
where:
Base-Base interactions energy: -1163.319
where: short stacking energy: -511.690
Base-Backbone interact. energy: 0.154
local terms energy: -599.889939
where:
bonds (distance) C4'-P energy: -115.800
bonds (distance) P-C4' energy: -131.980
flat angles C4'-P-C4' energy: -143.517
flat angles P-C4'-P energy: -89.037
tors. eta vs tors. theta energy: -119.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1549.721840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.721840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.721840 (E_RNA)
where:
Base-Base interactions energy: -1008.856
where: short stacking energy: -457.621
Base-Backbone interact. energy: -2.346
local terms energy: -538.519670
where:
bonds (distance) C4'-P energy: -119.324
bonds (distance) P-C4' energy: -128.120
flat angles C4'-P-C4' energy: -128.783
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -87.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1312.834226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.834226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.834226 (E_RNA)
where:
Base-Base interactions energy: -809.916
where: short stacking energy: -415.321
Base-Backbone interact. energy: -0.392
local terms energy: -502.525765
where:
bonds (distance) C4'-P energy: -114.362
bonds (distance) P-C4' energy: -119.453
flat angles C4'-P-C4' energy: -123.687
flat angles P-C4'-P energy: -64.447
tors. eta vs tors. theta energy: -80.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1028.431539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.431539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.431539 (E_RNA)
where:
Base-Base interactions energy: -606.049
where: short stacking energy: -296.726
Base-Backbone interact. energy: 2.938
local terms energy: -425.320053
where:
bonds (distance) C4'-P energy: -126.706
bonds (distance) P-C4' energy: -115.865
flat angles C4'-P-C4' energy: -104.960
flat angles P-C4'-P energy: -52.834
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -840.976769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.976769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.976769 (E_RNA)
where:
Base-Base interactions energy: -424.279
where: short stacking energy: -222.527
Base-Backbone interact. energy: -0.848
local terms energy: -415.849813
where:
bonds (distance) C4'-P energy: -105.071
bonds (distance) P-C4' energy: -139.254
flat angles C4'-P-C4' energy: -101.040
flat angles P-C4'-P energy: -53.339
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2540.165685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.165685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.165685 (E_RNA)
where:
Base-Base interactions energy: -1752.722
where: short stacking energy: -739.702
Base-Backbone interact. energy: -2.837
local terms energy: -784.606709
where:
bonds (distance) C4'-P energy: -145.734
bonds (distance) P-C4' energy: -148.370
flat angles C4'-P-C4' energy: -170.373
flat angles P-C4'-P energy: -110.531
tors. eta vs tors. theta energy: -209.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2452.011765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.011765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.011765 (E_RNA)
where:
Base-Base interactions energy: -1691.895
where: short stacking energy: -744.835
Base-Backbone interact. energy: -3.606
local terms energy: -756.510123
where:
bonds (distance) C4'-P energy: -136.166
bonds (distance) P-C4' energy: -149.814
flat angles C4'-P-C4' energy: -170.640
flat angles P-C4'-P energy: -95.610
tors. eta vs tors. theta energy: -204.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2277.012989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.012989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.012989 (E_RNA)
where:
Base-Base interactions energy: -1553.665
where: short stacking energy: -691.179
Base-Backbone interact. energy: -1.970
local terms energy: -721.377714
where:
bonds (distance) C4'-P energy: -124.862
bonds (distance) P-C4' energy: -140.709
flat angles C4'-P-C4' energy: -161.241
flat angles P-C4'-P energy: -102.945
tors. eta vs tors. theta energy: -191.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2162.956340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.956340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.956340 (E_RNA)
where:
Base-Base interactions energy: -1489.270
where: short stacking energy: -612.025
Base-Backbone interact. energy: -4.131
local terms energy: -669.555375
where:
bonds (distance) C4'-P energy: -118.624
bonds (distance) P-C4' energy: -135.690
flat angles C4'-P-C4' energy: -146.384
flat angles P-C4'-P energy: -93.920
tors. eta vs tors. theta energy: -174.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2007.020704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.020704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.020704 (E_RNA)
where:
Base-Base interactions energy: -1316.273
where: short stacking energy: -572.227
Base-Backbone interact. energy: -2.196
local terms energy: -688.551395
where:
bonds (distance) C4'-P energy: -146.346
bonds (distance) P-C4' energy: -138.411
flat angles C4'-P-C4' energy: -150.534
flat angles P-C4'-P energy: -97.474
tors. eta vs tors. theta energy: -155.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1746.883075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.883075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.883075 (E_RNA)
where:
Base-Base interactions energy: -1150.082
where: short stacking energy: -499.595
Base-Backbone interact. energy: -0.611
local terms energy: -596.190160
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -135.499
flat angles C4'-P-C4' energy: -133.913
flat angles P-C4'-P energy: -98.569
tors. eta vs tors. theta energy: -101.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1556.011859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.011859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.011859 (E_RNA)
where:
Base-Base interactions energy: -980.487
where: short stacking energy: -463.815
Base-Backbone interact. energy: -2.468
local terms energy: -573.056568
where:
bonds (distance) C4'-P energy: -113.649
bonds (distance) P-C4' energy: -143.615
flat angles C4'-P-C4' energy: -130.068
flat angles P-C4'-P energy: -81.993
tors. eta vs tors. theta energy: -103.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1290.396487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.396487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.396487 (E_RNA)
where:
Base-Base interactions energy: -798.150
where: short stacking energy: -392.972
Base-Backbone interact. energy: 0.981
local terms energy: -493.228100
where:
bonds (distance) C4'-P energy: -117.627
bonds (distance) P-C4' energy: -127.142
flat angles C4'-P-C4' energy: -114.969
flat angles P-C4'-P energy: -65.703
tors. eta vs tors. theta energy: -67.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1070.400065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.400065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.400065 (E_RNA)
where:
Base-Base interactions energy: -587.859
where: short stacking energy: -315.031
Base-Backbone interact. energy: 4.629
local terms energy: -487.170570
where:
bonds (distance) C4'-P energy: -129.019
bonds (distance) P-C4' energy: -138.212
flat angles C4'-P-C4' energy: -143.064
flat angles P-C4'-P energy: -57.114
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -851.645450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.645450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.645450 (E_RNA)
where:
Base-Base interactions energy: -456.856
where: short stacking energy: -239.109
Base-Backbone interact. energy: -2.943
local terms energy: -391.846408
where:
bonds (distance) C4'-P energy: -115.960
bonds (distance) P-C4' energy: -114.963
flat angles C4'-P-C4' energy: -106.395
flat angles P-C4'-P energy: -60.364
tors. eta vs tors. theta energy: 5.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2535.055535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.055535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.055535 (E_RNA)
where:
Base-Base interactions energy: -1746.992
where: short stacking energy: -733.580
Base-Backbone interact. energy: -3.239
local terms energy: -784.824994
where:
bonds (distance) C4'-P energy: -146.350
bonds (distance) P-C4' energy: -149.812
flat angles C4'-P-C4' energy: -162.150
flat angles P-C4'-P energy: -112.912
tors. eta vs tors. theta energy: -213.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2438.575313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.575313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.575313 (E_RNA)
where:
Base-Base interactions energy: -1672.234
where: short stacking energy: -729.905
Base-Backbone interact. energy: -2.534
local terms energy: -763.807372
where:
bonds (distance) C4'-P energy: -136.141
bonds (distance) P-C4' energy: -153.359
flat angles C4'-P-C4' energy: -167.944
flat angles P-C4'-P energy: -97.978
tors. eta vs tors. theta energy: -208.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2248.310898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.310898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.310898 (E_RNA)
where:
Base-Base interactions energy: -1524.957
where: short stacking energy: -676.976
Base-Backbone interact. energy: 0.832
local terms energy: -724.186004
where:
bonds (distance) C4'-P energy: -140.231
bonds (distance) P-C4' energy: -124.416
flat angles C4'-P-C4' energy: -152.092
flat angles P-C4'-P energy: -118.680
tors. eta vs tors. theta energy: -188.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2210.090884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.090884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.090884 (E_RNA)
where:
Base-Base interactions energy: -1523.110
where: short stacking energy: -643.511
Base-Backbone interact. energy: -5.007
local terms energy: -681.973776
where:
bonds (distance) C4'-P energy: -117.949
bonds (distance) P-C4' energy: -128.998
flat angles C4'-P-C4' energy: -158.815
flat angles P-C4'-P energy: -101.773
tors. eta vs tors. theta energy: -174.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1957.822729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.822729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.822729 (E_RNA)
where:
Base-Base interactions energy: -1297.695
where: short stacking energy: -592.540
Base-Backbone interact. energy: -4.098
local terms energy: -656.029428
where:
bonds (distance) C4'-P energy: -139.915
bonds (distance) P-C4' energy: -122.021
flat angles C4'-P-C4' energy: -147.520
flat angles P-C4'-P energy: -90.097
tors. eta vs tors. theta energy: -156.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1791.822333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.822333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.822333 (E_RNA)
where:
Base-Base interactions energy: -1161.794
where: short stacking energy: -498.150
Base-Backbone interact. energy: -4.355
local terms energy: -625.673382
where:
bonds (distance) C4'-P energy: -126.335
bonds (distance) P-C4' energy: -135.493
flat angles C4'-P-C4' energy: -146.449
flat angles P-C4'-P energy: -85.771
tors. eta vs tors. theta energy: -131.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1538.247211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.247211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.247211 (E_RNA)
where:
Base-Base interactions energy: -966.556
where: short stacking energy: -416.884
Base-Backbone interact. energy: -0.112
local terms energy: -571.579186
where:
bonds (distance) C4'-P energy: -128.419
bonds (distance) P-C4' energy: -142.119
flat angles C4'-P-C4' energy: -128.884
flat angles P-C4'-P energy: -93.073
tors. eta vs tors. theta energy: -79.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1273.336211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.336211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.336211 (E_RNA)
where:
Base-Base interactions energy: -784.082
where: short stacking energy: -348.825
Base-Backbone interact. energy: -1.250
local terms energy: -488.003609
where:
bonds (distance) C4'-P energy: -112.840
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -119.195
flat angles P-C4'-P energy: -82.138
tors. eta vs tors. theta energy: -63.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1084.700846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.700846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.700846 (E_RNA)
where:
Base-Base interactions energy: -627.318
where: short stacking energy: -323.710
Base-Backbone interact. energy: -4.450
local terms energy: -452.931906
where:
bonds (distance) C4'-P energy: -111.444
bonds (distance) P-C4' energy: -103.346
flat angles C4'-P-C4' energy: -119.955
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -54.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -822.284004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.284004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.284004 (E_RNA)
where:
Base-Base interactions energy: -435.881
where: short stacking energy: -228.975
Base-Backbone interact. energy: 4.593
local terms energy: -390.995863
where:
bonds (distance) C4'-P energy: -102.417
bonds (distance) P-C4' energy: -133.259
flat angles C4'-P-C4' energy: -96.333
flat angles P-C4'-P energy: -63.794
tors. eta vs tors. theta energy: 4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2507.078464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.078464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.078464 (E_RNA)
where:
Base-Base interactions energy: -1713.360
where: short stacking energy: -708.286
Base-Backbone interact. energy: -0.384
local terms energy: -793.335074
where:
bonds (distance) C4'-P energy: -152.046
bonds (distance) P-C4' energy: -155.885
flat angles C4'-P-C4' energy: -164.858
flat angles P-C4'-P energy: -110.813
tors. eta vs tors. theta energy: -209.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2427.063785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.063785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.063785 (E_RNA)
where:
Base-Base interactions energy: -1655.978
where: short stacking energy: -698.092
Base-Backbone interact. energy: -3.659
local terms energy: -767.426661
where:
bonds (distance) C4'-P energy: -137.305
bonds (distance) P-C4' energy: -156.322
flat angles C4'-P-C4' energy: -157.866
flat angles P-C4'-P energy: -114.368
tors. eta vs tors. theta energy: -201.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2267.493132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.493132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.493132 (E_RNA)
where:
Base-Base interactions energy: -1507.650
where: short stacking energy: -670.351
Base-Backbone interact. energy: -3.229
local terms energy: -756.614317
where:
bonds (distance) C4'-P energy: -150.597
bonds (distance) P-C4' energy: -134.172
flat angles C4'-P-C4' energy: -165.840
flat angles P-C4'-P energy: -104.081
tors. eta vs tors. theta energy: -201.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2197.662763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.662763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.662763 (E_RNA)
where:
Base-Base interactions energy: -1533.817
where: short stacking energy: -633.689
Base-Backbone interact. energy: -0.954
local terms energy: -662.891649
where:
bonds (distance) C4'-P energy: -117.034
bonds (distance) P-C4' energy: -134.526
flat angles C4'-P-C4' energy: -153.085
flat angles P-C4'-P energy: -98.362
tors. eta vs tors. theta energy: -159.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2025.589975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.589975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.589975 (E_RNA)
where:
Base-Base interactions energy: -1354.325
where: short stacking energy: -601.130
Base-Backbone interact. energy: -3.909
local terms energy: -667.355497
where:
bonds (distance) C4'-P energy: -123.468
bonds (distance) P-C4' energy: -139.806
flat angles C4'-P-C4' energy: -146.633
flat angles P-C4'-P energy: -94.495
tors. eta vs tors. theta energy: -162.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1762.633391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.633391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.633391 (E_RNA)
where:
Base-Base interactions energy: -1181.466
where: short stacking energy: -509.472
Base-Backbone interact. energy: -2.686
local terms energy: -578.481380
where:
bonds (distance) C4'-P energy: -126.775
bonds (distance) P-C4' energy: -123.174
flat angles C4'-P-C4' energy: -138.979
flat angles P-C4'-P energy: -80.055
tors. eta vs tors. theta energy: -109.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1550.657066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.657066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.657066 (E_RNA)
where:
Base-Base interactions energy: -1007.389
where: short stacking energy: -478.365
Base-Backbone interact. energy: -4.896
local terms energy: -538.372561
where:
bonds (distance) C4'-P energy: -100.563
bonds (distance) P-C4' energy: -128.999
flat angles C4'-P-C4' energy: -133.078
flat angles P-C4'-P energy: -73.814
tors. eta vs tors. theta energy: -101.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1285.348376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.348376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.348376 (E_RNA)
where:
Base-Base interactions energy: -751.501
where: short stacking energy: -367.425
Base-Backbone interact. energy: -1.990
local terms energy: -531.857901
where:
bonds (distance) C4'-P energy: -128.476
bonds (distance) P-C4' energy: -149.867
flat angles C4'-P-C4' energy: -110.376
flat angles P-C4'-P energy: -65.342
tors. eta vs tors. theta energy: -77.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1100.634032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.634032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.634032 (E_RNA)
where:
Base-Base interactions energy: -637.936
where: short stacking energy: -323.966
Base-Backbone interact. energy: 1.375
local terms energy: -464.072438
where:
bonds (distance) C4'-P energy: -109.725
bonds (distance) P-C4' energy: -114.983
flat angles C4'-P-C4' energy: -114.731
flat angles P-C4'-P energy: -75.595
tors. eta vs tors. theta energy: -49.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -790.217597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.217597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.217597 (E_RNA)
where:
Base-Base interactions energy: -441.745
where: short stacking energy: -226.576
Base-Backbone interact. energy: 5.235
local terms energy: -353.707646
where:
bonds (distance) C4'-P energy: -88.273
bonds (distance) P-C4' energy: -124.394
flat angles C4'-P-C4' energy: -93.333
flat angles P-C4'-P energy: -53.874
tors. eta vs tors. theta energy: 6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2486.423347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.423347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.423347 (E_RNA)
where:
Base-Base interactions energy: -1726.328
where: short stacking energy: -733.058
Base-Backbone interact. energy: -3.111
local terms energy: -756.984530
where:
bonds (distance) C4'-P energy: -126.739
bonds (distance) P-C4' energy: -131.515
flat angles C4'-P-C4' energy: -172.093
flat angles P-C4'-P energy: -117.348
tors. eta vs tors. theta energy: -209.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2443.072343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.072343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.072343 (E_RNA)
where:
Base-Base interactions energy: -1687.606
where: short stacking energy: -708.343
Base-Backbone interact. energy: 2.783
local terms energy: -758.249101
where:
bonds (distance) C4'-P energy: -139.619
bonds (distance) P-C4' energy: -138.935
flat angles C4'-P-C4' energy: -165.843
flat angles P-C4'-P energy: -119.105
tors. eta vs tors. theta energy: -194.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2322.700342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.700342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.700342 (E_RNA)
where:
Base-Base interactions energy: -1569.965
where: short stacking energy: -713.119
Base-Backbone interact. energy: -3.739
local terms energy: -748.995879
where:
bonds (distance) C4'-P energy: -139.015
bonds (distance) P-C4' energy: -140.129
flat angles C4'-P-C4' energy: -160.462
flat angles P-C4'-P energy: -106.542
tors. eta vs tors. theta energy: -202.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2215.822099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.822099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.822099 (E_RNA)
where:
Base-Base interactions energy: -1503.354
where: short stacking energy: -643.045
Base-Backbone interact. energy: -0.880
local terms energy: -711.588220
where:
bonds (distance) C4'-P energy: -130.336
bonds (distance) P-C4' energy: -137.562
flat angles C4'-P-C4' energy: -154.138
flat angles P-C4'-P energy: -98.694
tors. eta vs tors. theta energy: -190.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2013.664585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.664585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.664585 (E_RNA)
where:
Base-Base interactions energy: -1335.062
where: short stacking energy: -605.060
Base-Backbone interact. energy: -2.789
local terms energy: -675.813564
where:
bonds (distance) C4'-P energy: -120.242
bonds (distance) P-C4' energy: -148.040
flat angles C4'-P-C4' energy: -151.080
flat angles P-C4'-P energy: -86.979
tors. eta vs tors. theta energy: -169.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1753.532950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.532950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.532950 (E_RNA)
where:
Base-Base interactions energy: -1151.702
where: short stacking energy: -513.405
Base-Backbone interact. energy: -3.938
local terms energy: -597.893311
where:
bonds (distance) C4'-P energy: -128.296
bonds (distance) P-C4' energy: -135.594
flat angles C4'-P-C4' energy: -136.098
flat angles P-C4'-P energy: -71.711
tors. eta vs tors. theta energy: -126.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1553.402795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.402795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.402795 (E_RNA)
where:
Base-Base interactions energy: -997.950
where: short stacking energy: -424.128
Base-Backbone interact. energy: -4.610
local terms energy: -550.842912
where:
bonds (distance) C4'-P energy: -131.325
bonds (distance) P-C4' energy: -126.847
flat angles C4'-P-C4' energy: -122.543
flat angles P-C4'-P energy: -80.941
tors. eta vs tors. theta energy: -89.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1292.899972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.899972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.899972 (E_RNA)
where:
Base-Base interactions energy: -765.337
where: short stacking energy: -388.058
Base-Backbone interact. energy: 2.743
local terms energy: -530.306440
where:
bonds (distance) C4'-P energy: -135.662
bonds (distance) P-C4' energy: -130.003
flat angles C4'-P-C4' energy: -118.364
flat angles P-C4'-P energy: -67.700
tors. eta vs tors. theta energy: -78.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1056.904994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.904994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.904994 (E_RNA)
where:
Base-Base interactions energy: -618.110
where: short stacking energy: -319.892
Base-Backbone interact. energy: -1.421
local terms energy: -437.374194
where:
bonds (distance) C4'-P energy: -99.371
bonds (distance) P-C4' energy: -123.814
flat angles C4'-P-C4' energy: -97.281
flat angles P-C4'-P energy: -76.993
tors. eta vs tors. theta energy: -39.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -827.932431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.932431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.932431 (E_RNA)
where:
Base-Base interactions energy: -441.145
where: short stacking energy: -252.605
Base-Backbone interact. energy: 1.970
local terms energy: -388.757778
where:
bonds (distance) C4'-P energy: -112.890
bonds (distance) P-C4' energy: -108.022
flat angles C4'-P-C4' energy: -80.869
flat angles P-C4'-P energy: -60.852
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2500.901959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.901959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.901959 (E_RNA)
where:
Base-Base interactions energy: -1729.293
where: short stacking energy: -721.567
Base-Backbone interact. energy: -4.832
local terms energy: -766.777249
where:
bonds (distance) C4'-P energy: -155.533
bonds (distance) P-C4' energy: -134.649
flat angles C4'-P-C4' energy: -159.228
flat angles P-C4'-P energy: -112.733
tors. eta vs tors. theta energy: -204.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2414.133175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.133175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.133175 (E_RNA)
where:
Base-Base interactions energy: -1677.353
where: short stacking energy: -721.158
Base-Backbone interact. energy: -1.285
local terms energy: -735.495411
where:
bonds (distance) C4'-P energy: -142.387
bonds (distance) P-C4' energy: -148.127
flat angles C4'-P-C4' energy: -151.375
flat angles P-C4'-P energy: -96.382
tors. eta vs tors. theta energy: -197.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2246.231617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.231617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.231617 (E_RNA)
where:
Base-Base interactions energy: -1538.975
where: short stacking energy: -682.648
Base-Backbone interact. energy: 3.295
local terms energy: -710.551850
where:
bonds (distance) C4'-P energy: -118.273
bonds (distance) P-C4' energy: -135.097
flat angles C4'-P-C4' energy: -157.894
flat angles P-C4'-P energy: -107.319
tors. eta vs tors. theta energy: -191.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2139.247372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.247372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.247372 (E_RNA)
where:
Base-Base interactions energy: -1458.053
where: short stacking energy: -613.223
Base-Backbone interact. energy: -3.737
local terms energy: -677.457268
where:
bonds (distance) C4'-P energy: -136.411
bonds (distance) P-C4' energy: -131.607
flat angles C4'-P-C4' energy: -128.476
flat angles P-C4'-P energy: -105.674
tors. eta vs tors. theta energy: -175.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2006.765970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.765970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.765970 (E_RNA)
where:
Base-Base interactions energy: -1323.267
where: short stacking energy: -584.027
Base-Backbone interact. energy: -2.634
local terms energy: -680.865135
where:
bonds (distance) C4'-P energy: -134.896
bonds (distance) P-C4' energy: -143.810
flat angles C4'-P-C4' energy: -148.443
flat angles P-C4'-P energy: -89.162
tors. eta vs tors. theta energy: -164.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1772.328579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.328579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.328579 (E_RNA)
where:
Base-Base interactions energy: -1168.727
where: short stacking energy: -498.585
Base-Backbone interact. energy: -3.289
local terms energy: -600.313143
where:
bonds (distance) C4'-P energy: -137.414
bonds (distance) P-C4' energy: -122.468
flat angles C4'-P-C4' energy: -131.223
flat angles P-C4'-P energy: -89.925
tors. eta vs tors. theta energy: -119.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1561.381566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.381566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.381566 (E_RNA)
where:
Base-Base interactions energy: -990.960
where: short stacking energy: -454.851
Base-Backbone interact. energy: -2.408
local terms energy: -568.013195
where:
bonds (distance) C4'-P energy: -129.227
bonds (distance) P-C4' energy: -120.962
flat angles C4'-P-C4' energy: -131.455
flat angles P-C4'-P energy: -85.369
tors. eta vs tors. theta energy: -101.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1337.796414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.796414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.796414 (E_RNA)
where:
Base-Base interactions energy: -807.707
where: short stacking energy: -373.892
Base-Backbone interact. energy: -1.414
local terms energy: -528.675209
where:
bonds (distance) C4'-P energy: -120.030
bonds (distance) P-C4' energy: -124.288
flat angles C4'-P-C4' energy: -136.006
flat angles P-C4'-P energy: -84.152
tors. eta vs tors. theta energy: -64.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1054.472653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.472653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.472653 (E_RNA)
where:
Base-Base interactions energy: -607.164
where: short stacking energy: -305.188
Base-Backbone interact. energy: -1.096
local terms energy: -446.212851
where:
bonds (distance) C4'-P energy: -115.793
bonds (distance) P-C4' energy: -124.302
flat angles C4'-P-C4' energy: -103.915
flat angles P-C4'-P energy: -73.516
tors. eta vs tors. theta energy: -28.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -872.947434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.947434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.947434 (E_RNA)
where:
Base-Base interactions energy: -449.225
where: short stacking energy: -251.860
Base-Backbone interact. energy: 4.709
local terms energy: -428.431203
where:
bonds (distance) C4'-P energy: -117.465
bonds (distance) P-C4' energy: -131.283
flat angles C4'-P-C4' energy: -111.548
flat angles P-C4'-P energy: -62.688
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2472.937248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.937248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.937248 (E_RNA)
where:
Base-Base interactions energy: -1703.536
where: short stacking energy: -729.729
Base-Backbone interact. energy: -3.070
local terms energy: -766.331143
where:
bonds (distance) C4'-P energy: -147.880
bonds (distance) P-C4' energy: -147.108
flat angles C4'-P-C4' energy: -161.528
flat angles P-C4'-P energy: -107.147
tors. eta vs tors. theta energy: -202.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2437.504522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.504522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.504522 (E_RNA)
where:
Base-Base interactions energy: -1691.160
where: short stacking energy: -733.574
Base-Backbone interact. energy: -0.614
local terms energy: -745.730014
where:
bonds (distance) C4'-P energy: -137.878
bonds (distance) P-C4' energy: -139.028
flat angles C4'-P-C4' energy: -168.914
flat angles P-C4'-P energy: -104.984
tors. eta vs tors. theta energy: -194.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2216.924644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.924644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.924644 (E_RNA)
where:
Base-Base interactions energy: -1500.549
where: short stacking energy: -650.226
Base-Backbone interact. energy: -0.925
local terms energy: -715.450742
where:
bonds (distance) C4'-P energy: -115.665
bonds (distance) P-C4' energy: -149.717
flat angles C4'-P-C4' energy: -162.625
flat angles P-C4'-P energy: -110.519
tors. eta vs tors. theta energy: -176.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2197.894923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.894923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.894923 (E_RNA)
where:
Base-Base interactions energy: -1519.265
where: short stacking energy: -639.230
Base-Backbone interact. energy: -2.509
local terms energy: -676.121175
where:
bonds (distance) C4'-P energy: -138.470
bonds (distance) P-C4' energy: -132.584
flat angles C4'-P-C4' energy: -147.321
flat angles P-C4'-P energy: -92.826
tors. eta vs tors. theta energy: -164.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2007.729359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.729359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.729359 (E_RNA)
where:
Base-Base interactions energy: -1309.344
where: short stacking energy: -572.912
Base-Backbone interact. energy: -1.848
local terms energy: -696.537362
where:
bonds (distance) C4'-P energy: -124.496
bonds (distance) P-C4' energy: -145.267
flat angles C4'-P-C4' energy: -162.487
flat angles P-C4'-P energy: -106.817
tors. eta vs tors. theta energy: -157.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1778.784296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.784296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.784296 (E_RNA)
where:
Base-Base interactions energy: -1173.439
where: short stacking energy: -521.933
Base-Backbone interact. energy: -4.517
local terms energy: -600.828749
where:
bonds (distance) C4'-P energy: -133.778
bonds (distance) P-C4' energy: -133.275
flat angles C4'-P-C4' energy: -138.272
flat angles P-C4'-P energy: -81.063
tors. eta vs tors. theta energy: -114.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1541.226270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.226270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.226270 (E_RNA)
where:
Base-Base interactions energy: -988.062
where: short stacking energy: -459.177
Base-Backbone interact. energy: 0.087
local terms energy: -553.250365
where:
bonds (distance) C4'-P energy: -122.859
bonds (distance) P-C4' energy: -111.797
flat angles C4'-P-C4' energy: -134.845
flat angles P-C4'-P energy: -81.377
tors. eta vs tors. theta energy: -102.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1325.127173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.127173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.127173 (E_RNA)
where:
Base-Base interactions energy: -824.251
where: short stacking energy: -366.072
Base-Backbone interact. energy: 0.089
local terms energy: -500.965904
where:
bonds (distance) C4'-P energy: -121.033
bonds (distance) P-C4' energy: -117.973
flat angles C4'-P-C4' energy: -126.073
flat angles P-C4'-P energy: -77.334
tors. eta vs tors. theta energy: -58.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1009.262234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.262234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.262234 (E_RNA)
where:
Base-Base interactions energy: -575.205
where: short stacking energy: -290.041
Base-Backbone interact. energy: 1.540
local terms energy: -435.597278
where:
bonds (distance) C4'-P energy: -109.922
bonds (distance) P-C4' energy: -127.966
flat angles C4'-P-C4' energy: -107.685
flat angles P-C4'-P energy: -59.381
tors. eta vs tors. theta energy: -30.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -882.241426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.241426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.241426 (E_RNA)
where:
Base-Base interactions energy: -440.922
where: short stacking energy: -231.002
Base-Backbone interact. energy: 10.650
local terms energy: -451.968991
where:
bonds (distance) C4'-P energy: -140.339
bonds (distance) P-C4' energy: -119.975
flat angles C4'-P-C4' energy: -107.449
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2515.472815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.472815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.472815 (E_RNA)
where:
Base-Base interactions energy: -1747.000
where: short stacking energy: -734.660
Base-Backbone interact. energy: -0.715
local terms energy: -767.757671
where:
bonds (distance) C4'-P energy: -137.977
bonds (distance) P-C4' energy: -156.036
flat angles C4'-P-C4' energy: -159.457
flat angles P-C4'-P energy: -106.808
tors. eta vs tors. theta energy: -207.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2446.439982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.439982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.439982 (E_RNA)
where:
Base-Base interactions energy: -1696.199
where: short stacking energy: -747.379
Base-Backbone interact. energy: -2.331
local terms energy: -747.910500
where:
bonds (distance) C4'-P energy: -130.623
bonds (distance) P-C4' energy: -126.042
flat angles C4'-P-C4' energy: -169.985
flat angles P-C4'-P energy: -110.164
tors. eta vs tors. theta energy: -211.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2221.153865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.153865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.153865 (E_RNA)
where:
Base-Base interactions energy: -1504.029
where: short stacking energy: -662.833
Base-Backbone interact. energy: -3.396
local terms energy: -713.728139
where:
bonds (distance) C4'-P energy: -142.409
bonds (distance) P-C4' energy: -135.327
flat angles C4'-P-C4' energy: -142.248
flat angles P-C4'-P energy: -117.042
tors. eta vs tors. theta energy: -176.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2132.719240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.719240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.719240 (E_RNA)
where:
Base-Base interactions energy: -1457.346
where: short stacking energy: -642.521
Base-Backbone interact. energy: -0.987
local terms energy: -674.386923
where:
bonds (distance) C4'-P energy: -133.196
bonds (distance) P-C4' energy: -122.756
flat angles C4'-P-C4' energy: -148.520
flat angles P-C4'-P energy: -103.104
tors. eta vs tors. theta energy: -166.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2041.067239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.067239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.067239 (E_RNA)
where:
Base-Base interactions energy: -1383.664
where: short stacking energy: -604.402
Base-Backbone interact. energy: -1.734
local terms energy: -655.669200
where:
bonds (distance) C4'-P energy: -134.812
bonds (distance) P-C4' energy: -131.348
flat angles C4'-P-C4' energy: -132.132
flat angles P-C4'-P energy: -98.819
tors. eta vs tors. theta energy: -158.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1879.402530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.402530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.402530 (E_RNA)
where:
Base-Base interactions energy: -1272.109
where: short stacking energy: -543.162
Base-Backbone interact. energy: -1.396
local terms energy: -605.896862
where:
bonds (distance) C4'-P energy: -122.691
bonds (distance) P-C4' energy: -125.918
flat angles C4'-P-C4' energy: -126.858
flat angles P-C4'-P energy: -99.989
tors. eta vs tors. theta energy: -130.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1531.002342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.002342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.002342 (E_RNA)
where:
Base-Base interactions energy: -975.023
where: short stacking energy: -421.691
Base-Backbone interact. energy: -1.540
local terms energy: -554.438916
where:
bonds (distance) C4'-P energy: -127.393
bonds (distance) P-C4' energy: -131.885
flat angles C4'-P-C4' energy: -129.966
flat angles P-C4'-P energy: -80.227
tors. eta vs tors. theta energy: -84.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1293.271625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.271625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.271625 (E_RNA)
where:
Base-Base interactions energy: -795.890
where: short stacking energy: -368.667
Base-Backbone interact. energy: -3.428
local terms energy: -493.953340
where:
bonds (distance) C4'-P energy: -104.755
bonds (distance) P-C4' energy: -118.794
flat angles C4'-P-C4' energy: -127.645
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -65.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1031.735177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.735177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.735177 (E_RNA)
where:
Base-Base interactions energy: -596.600
where: short stacking energy: -317.329
Base-Backbone interact. energy: 6.192
local terms energy: -441.326802
where:
bonds (distance) C4'-P energy: -90.056
bonds (distance) P-C4' energy: -115.618
flat angles C4'-P-C4' energy: -120.072
flat angles P-C4'-P energy: -87.659
tors. eta vs tors. theta energy: -27.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -828.329980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.329980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.329980 (E_RNA)
where:
Base-Base interactions energy: -426.636
where: short stacking energy: -232.932
Base-Backbone interact. energy: -3.697
local terms energy: -397.996788
where:
bonds (distance) C4'-P energy: -100.440
bonds (distance) P-C4' energy: -128.827
flat angles C4'-P-C4' energy: -110.485
flat angles P-C4'-P energy: -66.244
tors. eta vs tors. theta energy: 7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2517.907766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.907766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.907766 (E_RNA)
where:
Base-Base interactions energy: -1744.816
where: short stacking energy: -753.419
Base-Backbone interact. energy: -1.402
local terms energy: -771.689485
where:
bonds (distance) C4'-P energy: -150.779
bonds (distance) P-C4' energy: -134.197
flat angles C4'-P-C4' energy: -167.714
flat angles P-C4'-P energy: -100.365
tors. eta vs tors. theta energy: -218.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2459.243752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.243752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.243752 (E_RNA)
where:
Base-Base interactions energy: -1659.505
where: short stacking energy: -732.432
Base-Backbone interact. energy: -3.066
local terms energy: -796.671874
where:
bonds (distance) C4'-P energy: -141.090
bonds (distance) P-C4' energy: -141.860
flat angles C4'-P-C4' energy: -170.853
flat angles P-C4'-P energy: -121.215
tors. eta vs tors. theta energy: -221.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2269.576651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.576651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.576651 (E_RNA)
where:
Base-Base interactions energy: -1558.306
where: short stacking energy: -672.195
Base-Backbone interact. energy: -1.573
local terms energy: -709.697495
where:
bonds (distance) C4'-P energy: -114.775
bonds (distance) P-C4' energy: -144.827
flat angles C4'-P-C4' energy: -155.422
flat angles P-C4'-P energy: -102.183
tors. eta vs tors. theta energy: -192.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2114.368201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.368201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.368201 (E_RNA)
where:
Base-Base interactions energy: -1415.421
where: short stacking energy: -634.849
Base-Backbone interact. energy: -3.134
local terms energy: -695.812877
where:
bonds (distance) C4'-P energy: -140.450
bonds (distance) P-C4' energy: -110.021
flat angles C4'-P-C4' energy: -159.791
flat angles P-C4'-P energy: -112.535
tors. eta vs tors. theta energy: -173.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2093.754868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.754868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.754868 (E_RNA)
where:
Base-Base interactions energy: -1476.040
where: short stacking energy: -611.052
Base-Backbone interact. energy: 3.397
local terms energy: -621.112227
where:
bonds (distance) C4'-P energy: -111.302
bonds (distance) P-C4' energy: -125.947
flat angles C4'-P-C4' energy: -135.597
flat angles P-C4'-P energy: -78.763
tors. eta vs tors. theta energy: -169.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1924.103935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.103935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.103935 (E_RNA)
where:
Base-Base interactions energy: -1321.090
where: short stacking energy: -570.690
Base-Backbone interact. energy: -2.470
local terms energy: -600.544378
where:
bonds (distance) C4'-P energy: -121.855
bonds (distance) P-C4' energy: -108.763
flat angles C4'-P-C4' energy: -140.900
flat angles P-C4'-P energy: -93.242
tors. eta vs tors. theta energy: -135.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1481.675169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.675169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.675169 (E_RNA)
where:
Base-Base interactions energy: -940.665
where: short stacking energy: -446.261
Base-Backbone interact. energy: 2.570
local terms energy: -543.580210
where:
bonds (distance) C4'-P energy: -131.394
bonds (distance) P-C4' energy: -125.051
flat angles C4'-P-C4' energy: -113.395
flat angles P-C4'-P energy: -80.173
tors. eta vs tors. theta energy: -93.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1286.123548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.123548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.123548 (E_RNA)
where:
Base-Base interactions energy: -771.544
where: short stacking energy: -385.270
Base-Backbone interact. energy: -2.467
local terms energy: -512.112716
where:
bonds (distance) C4'-P energy: -138.801
bonds (distance) P-C4' energy: -109.880
flat angles C4'-P-C4' energy: -124.539
flat angles P-C4'-P energy: -73.526
tors. eta vs tors. theta energy: -65.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1030.970000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.970000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.970000 (E_RNA)
where:
Base-Base interactions energy: -593.178
where: short stacking energy: -293.090
Base-Backbone interact. energy: -0.947
local terms energy: -436.844465
where:
bonds (distance) C4'-P energy: -114.016
bonds (distance) P-C4' energy: -118.915
flat angles C4'-P-C4' energy: -105.280
flat angles P-C4'-P energy: -57.918
tors. eta vs tors. theta energy: -40.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -822.498841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.498841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.498841 (E_RNA)
where:
Base-Base interactions energy: -416.596
where: short stacking energy: -218.864
Base-Backbone interact. energy: -0.587
local terms energy: -405.316029
where:
bonds (distance) C4'-P energy: -95.742
bonds (distance) P-C4' energy: -133.700
flat angles C4'-P-C4' energy: -89.431
flat angles P-C4'-P energy: -70.535
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2521.427404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.427404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.427404 (E_RNA)
where:
Base-Base interactions energy: -1740.135
where: short stacking energy: -743.955
Base-Backbone interact. energy: -2.873
local terms energy: -778.419530
where:
bonds (distance) C4'-P energy: -134.650
bonds (distance) P-C4' energy: -140.969
flat angles C4'-P-C4' energy: -173.116
flat angles P-C4'-P energy: -123.962
tors. eta vs tors. theta energy: -205.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2420.841347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.841347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.841347 (E_RNA)
where:
Base-Base interactions energy: -1659.348
where: short stacking energy: -709.019
Base-Backbone interact. energy: -3.807
local terms energy: -757.686205
where:
bonds (distance) C4'-P energy: -141.228
bonds (distance) P-C4' energy: -149.436
flat angles C4'-P-C4' energy: -168.691
flat angles P-C4'-P energy: -106.805
tors. eta vs tors. theta energy: -191.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2237.412481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.412481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.412481 (E_RNA)
where:
Base-Base interactions energy: -1508.305
where: short stacking energy: -684.803
Base-Backbone interact. energy: -5.813
local terms energy: -723.294155
where:
bonds (distance) C4'-P energy: -111.892
bonds (distance) P-C4' energy: -150.188
flat angles C4'-P-C4' energy: -169.126
flat angles P-C4'-P energy: -98.428
tors. eta vs tors. theta energy: -193.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2154.877370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.877370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.877370 (E_RNA)
where:
Base-Base interactions energy: -1444.138
where: short stacking energy: -631.786
Base-Backbone interact. energy: -3.480
local terms energy: -707.259320
where:
bonds (distance) C4'-P energy: -132.403
bonds (distance) P-C4' energy: -145.451
flat angles C4'-P-C4' energy: -168.627
flat angles P-C4'-P energy: -92.334
tors. eta vs tors. theta energy: -168.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2120.618711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.618711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.618711 (E_RNA)
where:
Base-Base interactions energy: -1449.859
where: short stacking energy: -588.009
Base-Backbone interact. energy: 1.294
local terms energy: -672.053838
where:
bonds (distance) C4'-P energy: -124.822
bonds (distance) P-C4' energy: -134.829
flat angles C4'-P-C4' energy: -154.991
flat angles P-C4'-P energy: -93.971
tors. eta vs tors. theta energy: -163.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1926.548341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.548341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.548341 (E_RNA)
where:
Base-Base interactions energy: -1315.287
where: short stacking energy: -573.362
Base-Backbone interact. energy: 0.437
local terms energy: -611.698135
where:
bonds (distance) C4'-P energy: -126.306
bonds (distance) P-C4' energy: -131.605
flat angles C4'-P-C4' energy: -128.501
flat angles P-C4'-P energy: -83.769
tors. eta vs tors. theta energy: -141.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1443.251740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.251740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.251740 (E_RNA)
where:
Base-Base interactions energy: -916.423
where: short stacking energy: -451.652
Base-Backbone interact. energy: -2.988
local terms energy: -523.841149
where:
bonds (distance) C4'-P energy: -115.408
bonds (distance) P-C4' energy: -116.152
flat angles C4'-P-C4' energy: -108.785
flat angles P-C4'-P energy: -83.191
tors. eta vs tors. theta energy: -100.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1346.323277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.323277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.323277 (E_RNA)
where:
Base-Base interactions energy: -834.321
where: short stacking energy: -419.186
Base-Backbone interact. energy: -2.657
local terms energy: -509.345298
where:
bonds (distance) C4'-P energy: -105.191
bonds (distance) P-C4' energy: -117.655
flat angles C4'-P-C4' energy: -123.616
flat angles P-C4'-P energy: -78.826
tors. eta vs tors. theta energy: -84.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1044.888168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.888168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.888168 (E_RNA)
where:
Base-Base interactions energy: -608.168
where: short stacking energy: -314.861
Base-Backbone interact. energy: 1.642
local terms energy: -438.362101
where:
bonds (distance) C4'-P energy: -99.258
bonds (distance) P-C4' energy: -113.215
flat angles C4'-P-C4' energy: -108.660
flat angles P-C4'-P energy: -76.641
tors. eta vs tors. theta energy: -40.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -781.715061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.715061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.715061 (E_RNA)
where:
Base-Base interactions energy: -396.074
where: short stacking energy: -220.588
Base-Backbone interact. energy: -2.295
local terms energy: -383.346186
where:
bonds (distance) C4'-P energy: -115.572
bonds (distance) P-C4' energy: -117.332
flat angles C4'-P-C4' energy: -92.242
flat angles P-C4'-P energy: -75.336
tors. eta vs tors. theta energy: 17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2484.273383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.273383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.273383 (E_RNA)
where:
Base-Base interactions energy: -1707.817
where: short stacking energy: -710.619
Base-Backbone interact. energy: -4.460
local terms energy: -771.995736
where:
bonds (distance) C4'-P energy: -139.467
bonds (distance) P-C4' energy: -157.651
flat angles C4'-P-C4' energy: -169.902
flat angles P-C4'-P energy: -107.893
tors. eta vs tors. theta energy: -197.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2442.256252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.256252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.256252 (E_RNA)
where:
Base-Base interactions energy: -1703.856
where: short stacking energy: -725.998
Base-Backbone interact. energy: -2.970
local terms energy: -735.430386
where:
bonds (distance) C4'-P energy: -145.886
bonds (distance) P-C4' energy: -126.151
flat angles C4'-P-C4' energy: -158.618
flat angles P-C4'-P energy: -94.807
tors. eta vs tors. theta energy: -209.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2253.698351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.698351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.698351 (E_RNA)
where:
Base-Base interactions energy: -1519.425
where: short stacking energy: -685.787
Base-Backbone interact. energy: -2.760
local terms energy: -731.513209
where:
bonds (distance) C4'-P energy: -145.777
bonds (distance) P-C4' energy: -136.742
flat angles C4'-P-C4' energy: -150.806
flat angles P-C4'-P energy: -106.726
tors. eta vs tors. theta energy: -191.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2130.226880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.226880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.226880 (E_RNA)
where:
Base-Base interactions energy: -1426.379
where: short stacking energy: -640.535
Base-Backbone interact. energy: -3.729
local terms energy: -700.118918
where:
bonds (distance) C4'-P energy: -143.267
bonds (distance) P-C4' energy: -127.675
flat angles C4'-P-C4' energy: -151.959
flat angles P-C4'-P energy: -106.106
tors. eta vs tors. theta energy: -171.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2092.326923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.326923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.326923 (E_RNA)
where:
Base-Base interactions energy: -1433.820
where: short stacking energy: -613.286
Base-Backbone interact. energy: -3.580
local terms energy: -654.926810
where:
bonds (distance) C4'-P energy: -110.705
bonds (distance) P-C4' energy: -131.871
flat angles C4'-P-C4' energy: -151.413
flat angles P-C4'-P energy: -96.439
tors. eta vs tors. theta energy: -164.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1897.647195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.647195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.647195 (E_RNA)
where:
Base-Base interactions energy: -1320.028
where: short stacking energy: -547.316
Base-Backbone interact. energy: 1.036
local terms energy: -578.654966
where:
bonds (distance) C4'-P energy: -117.917
bonds (distance) P-C4' energy: -111.868
flat angles C4'-P-C4' energy: -135.474
flat angles P-C4'-P energy: -75.989
tors. eta vs tors. theta energy: -137.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1490.556186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.556186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.556186 (E_RNA)
where:
Base-Base interactions energy: -939.510
where: short stacking energy: -455.371
Base-Backbone interact. energy: 2.796
local terms energy: -553.841471
where:
bonds (distance) C4'-P energy: -113.211
bonds (distance) P-C4' energy: -117.700
flat angles C4'-P-C4' energy: -121.177
flat angles P-C4'-P energy: -96.283
tors. eta vs tors. theta energy: -105.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1348.904199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.904199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.904199 (E_RNA)
where:
Base-Base interactions energy: -851.858
where: short stacking energy: -437.805
Base-Backbone interact. energy: 0.639
local terms energy: -497.684834
where:
bonds (distance) C4'-P energy: -90.965
bonds (distance) P-C4' energy: -106.044
flat angles C4'-P-C4' energy: -124.536
flat angles P-C4'-P energy: -88.633
tors. eta vs tors. theta energy: -87.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1091.359468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.359468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.359468 (E_RNA)
where:
Base-Base interactions energy: -648.472
where: short stacking energy: -312.837
Base-Backbone interact. energy: 4.399
local terms energy: -447.285943
where:
bonds (distance) C4'-P energy: -91.315
bonds (distance) P-C4' energy: -146.472
flat angles C4'-P-C4' energy: -125.839
flat angles P-C4'-P energy: -41.376
tors. eta vs tors. theta energy: -42.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -766.018055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.018055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.018055 (E_RNA)
where:
Base-Base interactions energy: -354.178
where: short stacking energy: -197.849
Base-Backbone interact. energy: -0.506
local terms energy: -411.334635
where:
bonds (distance) C4'-P energy: -118.098
bonds (distance) P-C4' energy: -138.552
flat angles C4'-P-C4' energy: -111.534
flat angles P-C4'-P energy: -59.001
tors. eta vs tors. theta energy: 15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2493.895414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.895414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.895414 (E_RNA)
where:
Base-Base interactions energy: -1724.262
where: short stacking energy: -729.990
Base-Backbone interact. energy: -3.968
local terms energy: -765.664940
where:
bonds (distance) C4'-P energy: -142.480
bonds (distance) P-C4' energy: -144.422
flat angles C4'-P-C4' energy: -162.016
flat angles P-C4'-P energy: -107.394
tors. eta vs tors. theta energy: -209.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2412.743440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.743440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.743440 (E_RNA)
where:
Base-Base interactions energy: -1646.332
where: short stacking energy: -705.155
Base-Backbone interact. energy: -0.281
local terms energy: -766.130336
where:
bonds (distance) C4'-P energy: -149.034
bonds (distance) P-C4' energy: -152.049
flat angles C4'-P-C4' energy: -172.483
flat angles P-C4'-P energy: -98.641
tors. eta vs tors. theta energy: -193.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2258.116393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.116393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.116393 (E_RNA)
where:
Base-Base interactions energy: -1538.804
where: short stacking energy: -712.306
Base-Backbone interact. energy: -0.303
local terms energy: -719.008789
where:
bonds (distance) C4'-P energy: -121.536
bonds (distance) P-C4' energy: -129.564
flat angles C4'-P-C4' energy: -152.620
flat angles P-C4'-P energy: -104.930
tors. eta vs tors. theta energy: -210.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2115.382685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.382685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.382685 (E_RNA)
where:
Base-Base interactions energy: -1417.541
where: short stacking energy: -648.012
Base-Backbone interact. energy: -5.295
local terms energy: -692.546735
where:
bonds (distance) C4'-P energy: -133.987
bonds (distance) P-C4' energy: -144.742
flat angles C4'-P-C4' energy: -142.387
flat angles P-C4'-P energy: -96.321
tors. eta vs tors. theta energy: -175.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2056.186811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.186811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.186811 (E_RNA)
where:
Base-Base interactions energy: -1386.438
where: short stacking energy: -599.463
Base-Backbone interact. energy: 2.694
local terms energy: -672.442786
where:
bonds (distance) C4'-P energy: -133.240
bonds (distance) P-C4' energy: -129.571
flat angles C4'-P-C4' energy: -148.114
flat angles P-C4'-P energy: -94.159
tors. eta vs tors. theta energy: -167.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1883.401733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.401733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.401733 (E_RNA)
where:
Base-Base interactions energy: -1260.475
where: short stacking energy: -531.843
Base-Backbone interact. energy: -3.440
local terms energy: -619.486832
where:
bonds (distance) C4'-P energy: -113.868
bonds (distance) P-C4' energy: -132.399
flat angles C4'-P-C4' energy: -156.118
flat angles P-C4'-P energy: -82.395
tors. eta vs tors. theta energy: -134.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1462.665134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.665134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.665134 (E_RNA)
where:
Base-Base interactions energy: -923.579
where: short stacking energy: -430.591
Base-Backbone interact. energy: 1.877
local terms energy: -540.963195
where:
bonds (distance) C4'-P energy: -122.281
bonds (distance) P-C4' energy: -130.092
flat angles C4'-P-C4' energy: -109.109
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -101.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1346.531180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.531180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.531180 (E_RNA)
where:
Base-Base interactions energy: -778.895
where: short stacking energy: -360.049
Base-Backbone interact. energy: -1.161
local terms energy: -566.475409
where:
bonds (distance) C4'-P energy: -133.871
bonds (distance) P-C4' energy: -130.468
flat angles C4'-P-C4' energy: -138.269
flat angles P-C4'-P energy: -86.343
tors. eta vs tors. theta energy: -77.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1082.667264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.667264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.667264 (E_RNA)
where:
Base-Base interactions energy: -637.952
where: short stacking energy: -317.439
Base-Backbone interact. energy: 2.691
local terms energy: -447.406019
where:
bonds (distance) C4'-P energy: -132.491
bonds (distance) P-C4' energy: -117.107
flat angles C4'-P-C4' energy: -93.916
flat angles P-C4'-P energy: -54.377
tors. eta vs tors. theta energy: -49.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -783.467714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.467714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.467714 (E_RNA)
where:
Base-Base interactions energy: -424.386
where: short stacking energy: -229.954
Base-Backbone interact. energy: 0.933
local terms energy: -360.014481
where:
bonds (distance) C4'-P energy: -102.979
bonds (distance) P-C4' energy: -121.453
flat angles C4'-P-C4' energy: -83.779
flat angles P-C4'-P energy: -67.287
tors. eta vs tors. theta energy: 15.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2465.846918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.846918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.846918 (E_RNA)
where:
Base-Base interactions energy: -1712.811
where: short stacking energy: -701.699
Base-Backbone interact. energy: -3.754
local terms energy: -749.282327
where:
bonds (distance) C4'-P energy: -145.206
bonds (distance) P-C4' energy: -152.074
flat angles C4'-P-C4' energy: -170.433
flat angles P-C4'-P energy: -92.189
tors. eta vs tors. theta energy: -189.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2420.868719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.868719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.868719 (E_RNA)
where:
Base-Base interactions energy: -1711.758
where: short stacking energy: -729.779
Base-Backbone interact. energy: -3.030
local terms energy: -706.080597
where:
bonds (distance) C4'-P energy: -130.234
bonds (distance) P-C4' energy: -119.560
flat angles C4'-P-C4' energy: -160.830
flat angles P-C4'-P energy: -94.881
tors. eta vs tors. theta energy: -200.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2259.357673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.357673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.357673 (E_RNA)
where:
Base-Base interactions energy: -1523.261
where: short stacking energy: -694.368
Base-Backbone interact. energy: -0.757
local terms energy: -735.339082
where:
bonds (distance) C4'-P energy: -143.123
bonds (distance) P-C4' energy: -130.789
flat angles C4'-P-C4' energy: -170.941
flat angles P-C4'-P energy: -90.784
tors. eta vs tors. theta energy: -199.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2189.985200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.985200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.985200 (E_RNA)
where:
Base-Base interactions energy: -1493.920
where: short stacking energy: -613.669
Base-Backbone interact. energy: -0.966
local terms energy: -695.099550
where:
bonds (distance) C4'-P energy: -114.570
bonds (distance) P-C4' energy: -138.775
flat angles C4'-P-C4' energy: -144.058
flat angles P-C4'-P energy: -112.738
tors. eta vs tors. theta energy: -184.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2077.030881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.030881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.030881 (E_RNA)
where:
Base-Base interactions energy: -1413.899
where: short stacking energy: -622.280
Base-Backbone interact. energy: -6.088
local terms energy: -657.043398
where:
bonds (distance) C4'-P energy: -125.696
bonds (distance) P-C4' energy: -136.180
flat angles C4'-P-C4' energy: -127.097
flat angles P-C4'-P energy: -103.998
tors. eta vs tors. theta energy: -164.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1909.636007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.636007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.636007 (E_RNA)
where:
Base-Base interactions energy: -1314.316
where: short stacking energy: -564.195
Base-Backbone interact. energy: -1.284
local terms energy: -594.036276
where:
bonds (distance) C4'-P energy: -121.390
bonds (distance) P-C4' energy: -131.532
flat angles C4'-P-C4' energy: -133.267
flat angles P-C4'-P energy: -84.008
tors. eta vs tors. theta energy: -123.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1468.326799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.326799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.326799 (E_RNA)
where:
Base-Base interactions energy: -942.903
where: short stacking energy: -419.907
Base-Backbone interact. energy: 1.650
local terms energy: -527.074339
where:
bonds (distance) C4'-P energy: -111.228
bonds (distance) P-C4' energy: -112.910
flat angles C4'-P-C4' energy: -125.520
flat angles P-C4'-P energy: -97.808
tors. eta vs tors. theta energy: -79.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1311.098206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.098206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.098206 (E_RNA)
where:
Base-Base interactions energy: -805.679
where: short stacking energy: -399.498
Base-Backbone interact. energy: -2.078
local terms energy: -503.341007
where:
bonds (distance) C4'-P energy: -103.464
bonds (distance) P-C4' energy: -124.076
flat angles C4'-P-C4' energy: -133.340
flat angles P-C4'-P energy: -67.833
tors. eta vs tors. theta energy: -74.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1117.414510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.414510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.414510 (E_RNA)
where:
Base-Base interactions energy: -646.435
where: short stacking energy: -320.751
Base-Backbone interact. energy: 1.378
local terms energy: -472.357195
where:
bonds (distance) C4'-P energy: -119.301
bonds (distance) P-C4' energy: -119.068
flat angles C4'-P-C4' energy: -113.086
flat angles P-C4'-P energy: -68.919
tors. eta vs tors. theta energy: -51.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -805.385308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.385308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.385308 (E_RNA)
where:
Base-Base interactions energy: -404.425
where: short stacking energy: -242.229
Base-Backbone interact. energy: -0.992
local terms energy: -399.968099
where:
bonds (distance) C4'-P energy: -113.929
bonds (distance) P-C4' energy: -121.796
flat angles C4'-P-C4' energy: -87.934
flat angles P-C4'-P energy: -55.514
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2497.557453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.557453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.557453 (E_RNA)
where:
Base-Base interactions energy: -1721.915
where: short stacking energy: -725.408
Base-Backbone interact. energy: -0.832
local terms energy: -774.810219
where:
bonds (distance) C4'-P energy: -138.149
bonds (distance) P-C4' energy: -158.001
flat angles C4'-P-C4' energy: -167.318
flat angles P-C4'-P energy: -111.015
tors. eta vs tors. theta energy: -200.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2417.644183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.644183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.644183 (E_RNA)
where:
Base-Base interactions energy: -1665.044
where: short stacking energy: -731.984
Base-Backbone interact. energy: -5.631
local terms energy: -746.969346
where:
bonds (distance) C4'-P energy: -129.670
bonds (distance) P-C4' energy: -150.887
flat angles C4'-P-C4' energy: -159.785
flat angles P-C4'-P energy: -104.845
tors. eta vs tors. theta energy: -201.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2268.760542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.760542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.760542 (E_RNA)
where:
Base-Base interactions energy: -1519.270
where: short stacking energy: -682.810
Base-Backbone interact. energy: -4.446
local terms energy: -745.044917
where:
bonds (distance) C4'-P energy: -146.766
bonds (distance) P-C4' energy: -140.591
flat angles C4'-P-C4' energy: -162.410
flat angles P-C4'-P energy: -95.906
tors. eta vs tors. theta energy: -199.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2146.708569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.708569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.708569 (E_RNA)
where:
Base-Base interactions energy: -1471.127
where: short stacking energy: -630.085
Base-Backbone interact. energy: -1.751
local terms energy: -673.830489
where:
bonds (distance) C4'-P energy: -128.116
bonds (distance) P-C4' energy: -121.307
flat angles C4'-P-C4' energy: -151.024
flat angles P-C4'-P energy: -103.287
tors. eta vs tors. theta energy: -170.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2104.193758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.193758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.193758 (E_RNA)
where:
Base-Base interactions energy: -1422.166
where: short stacking energy: -621.011
Base-Backbone interact. energy: -1.490
local terms energy: -680.537085
where:
bonds (distance) C4'-P energy: -120.659
bonds (distance) P-C4' energy: -124.035
flat angles C4'-P-C4' energy: -161.795
flat angles P-C4'-P energy: -94.397
tors. eta vs tors. theta energy: -179.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1921.848888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.848888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.848888 (E_RNA)
where:
Base-Base interactions energy: -1316.275
where: short stacking energy: -557.466
Base-Backbone interact. energy: 0.785
local terms energy: -606.359112
where:
bonds (distance) C4'-P energy: -133.320
bonds (distance) P-C4' energy: -123.945
flat angles C4'-P-C4' energy: -145.786
flat angles P-C4'-P energy: -84.293
tors. eta vs tors. theta energy: -119.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1447.269401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.269401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.269401 (E_RNA)
where:
Base-Base interactions energy: -881.001
where: short stacking energy: -409.993
Base-Backbone interact. energy: -2.324
local terms energy: -563.944229
where:
bonds (distance) C4'-P energy: -122.493
bonds (distance) P-C4' energy: -132.418
flat angles C4'-P-C4' energy: -139.954
flat angles P-C4'-P energy: -73.356
tors. eta vs tors. theta energy: -95.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1265.033219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.033219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.033219 (E_RNA)
where:
Base-Base interactions energy: -749.665
where: short stacking energy: -364.097
Base-Backbone interact. energy: -0.983
local terms energy: -514.385961
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -126.409
flat angles C4'-P-C4' energy: -127.995
flat angles P-C4'-P energy: -77.202
tors. eta vs tors. theta energy: -57.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1055.779322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.779322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.779322 (E_RNA)
where:
Base-Base interactions energy: -595.667
where: short stacking energy: -298.324
Base-Backbone interact. energy: -1.709
local terms energy: -458.403594
where:
bonds (distance) C4'-P energy: -119.455
bonds (distance) P-C4' energy: -135.767
flat angles C4'-P-C4' energy: -109.774
flat angles P-C4'-P energy: -60.694
tors. eta vs tors. theta energy: -32.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -807.627859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.627859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.627859 (E_RNA)
where:
Base-Base interactions energy: -415.516
where: short stacking energy: -240.097
Base-Backbone interact. energy: 2.487
local terms energy: -394.598568
where:
bonds (distance) C4'-P energy: -100.718
bonds (distance) P-C4' energy: -143.815
flat angles C4'-P-C4' energy: -97.356
flat angles P-C4'-P energy: -53.703
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2498.776169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.776169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.776169 (E_RNA)
where:
Base-Base interactions energy: -1722.263
where: short stacking energy: -729.190
Base-Backbone interact. energy: -3.720
local terms energy: -772.793602
where:
bonds (distance) C4'-P energy: -146.992
bonds (distance) P-C4' energy: -150.663
flat angles C4'-P-C4' energy: -157.817
flat angles P-C4'-P energy: -105.256
tors. eta vs tors. theta energy: -212.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2415.665981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.665981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.665981 (E_RNA)
where:
Base-Base interactions energy: -1669.228
where: short stacking energy: -717.333
Base-Backbone interact. energy: -2.815
local terms energy: -743.622941
where:
bonds (distance) C4'-P energy: -141.093
bonds (distance) P-C4' energy: -146.106
flat angles C4'-P-C4' energy: -165.022
flat angles P-C4'-P energy: -100.460
tors. eta vs tors. theta energy: -190.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2250.215780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.215780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.215780 (E_RNA)
where:
Base-Base interactions energy: -1518.178
where: short stacking energy: -717.254
Base-Backbone interact. energy: -5.417
local terms energy: -726.620540
where:
bonds (distance) C4'-P energy: -141.504
bonds (distance) P-C4' energy: -125.227
flat angles C4'-P-C4' energy: -168.092
flat angles P-C4'-P energy: -88.979
tors. eta vs tors. theta energy: -202.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2149.900254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.900254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.900254 (E_RNA)
where:
Base-Base interactions energy: -1475.088
where: short stacking energy: -659.603
Base-Backbone interact. energy: -3.267
local terms energy: -671.544590
where:
bonds (distance) C4'-P energy: -118.769
bonds (distance) P-C4' energy: -127.865
flat angles C4'-P-C4' energy: -149.991
flat angles P-C4'-P energy: -90.138
tors. eta vs tors. theta energy: -184.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2081.279603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.279603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.279603 (E_RNA)
where:
Base-Base interactions energy: -1420.202
where: short stacking energy: -595.040
Base-Backbone interact. energy: -2.246
local terms energy: -658.831359
where:
bonds (distance) C4'-P energy: -130.085
bonds (distance) P-C4' energy: -134.539
flat angles C4'-P-C4' energy: -127.634
flat angles P-C4'-P energy: -95.631
tors. eta vs tors. theta energy: -170.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1878.559542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.559542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.559542 (E_RNA)
where:
Base-Base interactions energy: -1287.442
where: short stacking energy: -541.558
Base-Backbone interact. energy: -1.900
local terms energy: -589.217131
where:
bonds (distance) C4'-P energy: -114.887
bonds (distance) P-C4' energy: -139.548
flat angles C4'-P-C4' energy: -129.814
flat angles P-C4'-P energy: -81.510
tors. eta vs tors. theta energy: -123.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1455.688809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.688809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.688809 (E_RNA)
where:
Base-Base interactions energy: -914.359
where: short stacking energy: -452.129
Base-Backbone interact. energy: -2.366
local terms energy: -538.964260
where:
bonds (distance) C4'-P energy: -101.791
bonds (distance) P-C4' energy: -135.950
flat angles C4'-P-C4' energy: -123.568
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -90.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1261.733069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.733069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.733069 (E_RNA)
where:
Base-Base interactions energy: -756.020
where: short stacking energy: -353.905
Base-Backbone interact. energy: -2.191
local terms energy: -503.522198
where:
bonds (distance) C4'-P energy: -116.828
bonds (distance) P-C4' energy: -131.241
flat angles C4'-P-C4' energy: -115.088
flat angles P-C4'-P energy: -82.843
tors. eta vs tors. theta energy: -57.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1087.824908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.824908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.824908 (E_RNA)
where:
Base-Base interactions energy: -617.609
where: short stacking energy: -323.196
Base-Backbone interact. energy: -0.035
local terms energy: -470.180827
where:
bonds (distance) C4'-P energy: -102.972
bonds (distance) P-C4' energy: -113.428
flat angles C4'-P-C4' energy: -125.603
flat angles P-C4'-P energy: -81.253
tors. eta vs tors. theta energy: -46.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -815.390270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.390270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.390270 (E_RNA)
where:
Base-Base interactions energy: -408.509
where: short stacking energy: -237.405
Base-Backbone interact. energy: 1.535
local terms energy: -408.416256
where:
bonds (distance) C4'-P energy: -120.091
bonds (distance) P-C4' energy: -103.012
flat angles C4'-P-C4' energy: -106.349
flat angles P-C4'-P energy: -71.982
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2496.292410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.292410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.292410 (E_RNA)
where:
Base-Base interactions energy: -1701.182
where: short stacking energy: -743.204
Base-Backbone interact. energy: -3.061
local terms energy: -792.048815
where:
bonds (distance) C4'-P energy: -157.722
bonds (distance) P-C4' energy: -149.768
flat angles C4'-P-C4' energy: -170.461
flat angles P-C4'-P energy: -100.584
tors. eta vs tors. theta energy: -213.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2394.379923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.379923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.379923 (E_RNA)
where:
Base-Base interactions energy: -1667.260
where: short stacking energy: -692.618
Base-Backbone interact. energy: -3.112
local terms energy: -724.008458
where:
bonds (distance) C4'-P energy: -137.491
bonds (distance) P-C4' energy: -139.054
flat angles C4'-P-C4' energy: -162.452
flat angles P-C4'-P energy: -103.282
tors. eta vs tors. theta energy: -181.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2233.276212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.276212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.276212 (E_RNA)
where:
Base-Base interactions energy: -1503.778
where: short stacking energy: -686.225
Base-Backbone interact. energy: -0.771
local terms energy: -728.727117
where:
bonds (distance) C4'-P energy: -138.587
bonds (distance) P-C4' energy: -129.715
flat angles C4'-P-C4' energy: -162.700
flat angles P-C4'-P energy: -102.159
tors. eta vs tors. theta energy: -195.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2192.111851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.111851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.111851 (E_RNA)
where:
Base-Base interactions energy: -1458.433
where: short stacking energy: -671.643
Base-Backbone interact. energy: -0.328
local terms energy: -733.350821
where:
bonds (distance) C4'-P energy: -136.341
bonds (distance) P-C4' energy: -134.949
flat angles C4'-P-C4' energy: -171.461
flat angles P-C4'-P energy: -102.727
tors. eta vs tors. theta energy: -187.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2013.499863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.499863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.499863 (E_RNA)
where:
Base-Base interactions energy: -1378.155
where: short stacking energy: -602.426
Base-Backbone interact. energy: -2.740
local terms energy: -632.605424
where:
bonds (distance) C4'-P energy: -102.605
bonds (distance) P-C4' energy: -145.296
flat angles C4'-P-C4' energy: -139.139
flat angles P-C4'-P energy: -87.263
tors. eta vs tors. theta energy: -158.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1908.873387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.873387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.873387 (E_RNA)
where:
Base-Base interactions energy: -1261.326
where: short stacking energy: -574.509
Base-Backbone interact. energy: -0.105
local terms energy: -647.442174
where:
bonds (distance) C4'-P energy: -124.100
bonds (distance) P-C4' energy: -137.457
flat angles C4'-P-C4' energy: -138.286
flat angles P-C4'-P energy: -91.765
tors. eta vs tors. theta energy: -155.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1456.192326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.192326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.192326 (E_RNA)
where:
Base-Base interactions energy: -915.520
where: short stacking energy: -421.179
Base-Backbone interact. energy: -2.040
local terms energy: -538.632210
where:
bonds (distance) C4'-P energy: -122.855
bonds (distance) P-C4' energy: -106.841
flat angles C4'-P-C4' energy: -119.678
flat angles P-C4'-P energy: -96.055
tors. eta vs tors. theta energy: -93.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1259.731507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.731507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.731507 (E_RNA)
where:
Base-Base interactions energy: -762.268
where: short stacking energy: -365.549
Base-Backbone interact. energy: -1.043
local terms energy: -496.421001
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -127.314
flat angles C4'-P-C4' energy: -123.405
flat angles P-C4'-P energy: -74.529
tors. eta vs tors. theta energy: -54.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1056.508702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.508702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.508702 (E_RNA)
where:
Base-Base interactions energy: -620.973
where: short stacking energy: -334.124
Base-Backbone interact. energy: 3.130
local terms energy: -438.665866
where:
bonds (distance) C4'-P energy: -79.823
bonds (distance) P-C4' energy: -131.633
flat angles C4'-P-C4' energy: -99.542
flat angles P-C4'-P energy: -77.187
tors. eta vs tors. theta energy: -50.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -832.917974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.917974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.917974 (E_RNA)
where:
Base-Base interactions energy: -445.632
where: short stacking energy: -206.572
Base-Backbone interact. energy: 3.192
local terms energy: -390.477284
where:
bonds (distance) C4'-P energy: -101.825
bonds (distance) P-C4' energy: -110.679
flat angles C4'-P-C4' energy: -113.351
flat angles P-C4'-P energy: -70.629
tors. eta vs tors. theta energy: 6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2490.498161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.498161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.498161 (E_RNA)
where:
Base-Base interactions energy: -1724.004
where: short stacking energy: -716.453
Base-Backbone interact. energy: -0.169
local terms energy: -766.325360
where:
bonds (distance) C4'-P energy: -145.278
bonds (distance) P-C4' energy: -144.256
flat angles C4'-P-C4' energy: -173.563
flat angles P-C4'-P energy: -109.123
tors. eta vs tors. theta energy: -194.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2411.768041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.768041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.768041 (E_RNA)
where:
Base-Base interactions energy: -1653.939
where: short stacking energy: -698.447
Base-Backbone interact. energy: -5.435
local terms energy: -752.393845
where:
bonds (distance) C4'-P energy: -135.993
bonds (distance) P-C4' energy: -147.065
flat angles C4'-P-C4' energy: -169.427
flat angles P-C4'-P energy: -115.937
tors. eta vs tors. theta energy: -183.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2252.683587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.683587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.683587 (E_RNA)
where:
Base-Base interactions energy: -1525.486
where: short stacking energy: -688.363
Base-Backbone interact. energy: -0.683
local terms energy: -726.514875
where:
bonds (distance) C4'-P energy: -127.080
bonds (distance) P-C4' energy: -146.659
flat angles C4'-P-C4' energy: -162.553
flat angles P-C4'-P energy: -97.033
tors. eta vs tors. theta energy: -193.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2160.756281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.756281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.756281 (E_RNA)
where:
Base-Base interactions energy: -1449.512
where: short stacking energy: -657.796
Base-Backbone interact. energy: -2.624
local terms energy: -708.620245
where:
bonds (distance) C4'-P energy: -139.882
bonds (distance) P-C4' energy: -135.227
flat angles C4'-P-C4' energy: -154.702
flat angles P-C4'-P energy: -95.273
tors. eta vs tors. theta energy: -183.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2056.997804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.997804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.997804 (E_RNA)
where:
Base-Base interactions energy: -1403.419
where: short stacking energy: -599.058
Base-Backbone interact. energy: -2.866
local terms energy: -650.713356
where:
bonds (distance) C4'-P energy: -135.885
bonds (distance) P-C4' energy: -134.310
flat angles C4'-P-C4' energy: -131.724
flat angles P-C4'-P energy: -90.995
tors. eta vs tors. theta energy: -157.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1994.747374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.747374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.747374 (E_RNA)
where:
Base-Base interactions energy: -1361.714
where: short stacking energy: -594.969
Base-Backbone interact. energy: 1.220
local terms energy: -634.253454
where:
bonds (distance) C4'-P energy: -123.936
bonds (distance) P-C4' energy: -126.663
flat angles C4'-P-C4' energy: -142.000
flat angles P-C4'-P energy: -85.507
tors. eta vs tors. theta energy: -156.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1495.928165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.928165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.928165 (E_RNA)
where:
Base-Base interactions energy: -942.496
where: short stacking energy: -427.126
Base-Backbone interact. energy: -2.441
local terms energy: -550.991302
where:
bonds (distance) C4'-P energy: -131.917
bonds (distance) P-C4' energy: -113.668
flat angles C4'-P-C4' energy: -126.111
flat angles P-C4'-P energy: -82.702
tors. eta vs tors. theta energy: -96.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1251.664412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.664412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.664412 (E_RNA)
where:
Base-Base interactions energy: -750.433
where: short stacking energy: -381.782
Base-Backbone interact. energy: -1.916
local terms energy: -499.315028
where:
bonds (distance) C4'-P energy: -109.869
bonds (distance) P-C4' energy: -132.695
flat angles C4'-P-C4' energy: -118.338
flat angles P-C4'-P energy: -75.118
tors. eta vs tors. theta energy: -63.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1101.308097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.308097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.308097 (E_RNA)
where:
Base-Base interactions energy: -670.370
where: short stacking energy: -364.833
Base-Backbone interact. energy: 0.637
local terms energy: -431.575025
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -118.907
flat angles C4'-P-C4' energy: -106.868
flat angles P-C4'-P energy: -67.796
tors. eta vs tors. theta energy: -36.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -794.691557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.691557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.691557 (E_RNA)
where:
Base-Base interactions energy: -405.173
where: short stacking energy: -211.509
Base-Backbone interact. energy: 0.240
local terms energy: -389.758491
where:
bonds (distance) C4'-P energy: -116.836
bonds (distance) P-C4' energy: -126.376
flat angles C4'-P-C4' energy: -107.188
flat angles P-C4'-P energy: -61.703
tors. eta vs tors. theta energy: 22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2529.513700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.513700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.513700 (E_RNA)
where:
Base-Base interactions energy: -1750.236
where: short stacking energy: -732.671
Base-Backbone interact. energy: -1.088
local terms energy: -778.189919
where:
bonds (distance) C4'-P energy: -155.074
bonds (distance) P-C4' energy: -141.807
flat angles C4'-P-C4' energy: -158.735
flat angles P-C4'-P energy: -112.420
tors. eta vs tors. theta energy: -210.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2410.071286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.071286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.071286 (E_RNA)
where:
Base-Base interactions energy: -1646.144
where: short stacking energy: -683.927
Base-Backbone interact. energy: -4.871
local terms energy: -759.055718
where:
bonds (distance) C4'-P energy: -142.857
bonds (distance) P-C4' energy: -142.639
flat angles C4'-P-C4' energy: -165.675
flat angles P-C4'-P energy: -119.657
tors. eta vs tors. theta energy: -188.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2239.323013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.323013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.323013 (E_RNA)
where:
Base-Base interactions energy: -1497.511
where: short stacking energy: -683.120
Base-Backbone interact. energy: -4.689
local terms energy: -737.123098
where:
bonds (distance) C4'-P energy: -143.608
bonds (distance) P-C4' energy: -138.127
flat angles C4'-P-C4' energy: -159.986
flat angles P-C4'-P energy: -101.551
tors. eta vs tors. theta energy: -193.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2167.796215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.796215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.796215 (E_RNA)
where:
Base-Base interactions energy: -1437.934
where: short stacking energy: -641.634
Base-Backbone interact. energy: -1.694
local terms energy: -728.167702
where:
bonds (distance) C4'-P energy: -133.217
bonds (distance) P-C4' energy: -146.321
flat angles C4'-P-C4' energy: -160.065
flat angles P-C4'-P energy: -100.849
tors. eta vs tors. theta energy: -187.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2093.819016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.819016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.819016 (E_RNA)
where:
Base-Base interactions energy: -1393.474
where: short stacking energy: -598.520
Base-Backbone interact. energy: -0.589
local terms energy: -699.756061
where:
bonds (distance) C4'-P energy: -140.644
bonds (distance) P-C4' energy: -145.234
flat angles C4'-P-C4' energy: -150.173
flat angles P-C4'-P energy: -91.485
tors. eta vs tors. theta energy: -172.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1970.423998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.423998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.423998 (E_RNA)
where:
Base-Base interactions energy: -1321.742
where: short stacking energy: -535.769
Base-Backbone interact. energy: -1.815
local terms energy: -646.866890
where:
bonds (distance) C4'-P energy: -127.140
bonds (distance) P-C4' energy: -115.106
flat angles C4'-P-C4' energy: -138.288
flat angles P-C4'-P energy: -102.455
tors. eta vs tors. theta energy: -163.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1534.450744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.450744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.450744 (E_RNA)
where:
Base-Base interactions energy: -956.041
where: short stacking energy: -432.965
Base-Backbone interact. energy: -5.540
local terms energy: -572.870462
where:
bonds (distance) C4'-P energy: -128.060
bonds (distance) P-C4' energy: -138.008
flat angles C4'-P-C4' energy: -123.408
flat angles P-C4'-P energy: -95.796
tors. eta vs tors. theta energy: -87.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1252.468938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.468938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.468938 (E_RNA)
where:
Base-Base interactions energy: -741.182
where: short stacking energy: -360.899
Base-Backbone interact. energy: -1.195
local terms energy: -510.092426
where:
bonds (distance) C4'-P energy: -130.584
bonds (distance) P-C4' energy: -134.857
flat angles C4'-P-C4' energy: -117.507
flat angles P-C4'-P energy: -78.333
tors. eta vs tors. theta energy: -48.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1058.080141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.080141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.080141 (E_RNA)
where:
Base-Base interactions energy: -605.306
where: short stacking energy: -298.672
Base-Backbone interact. energy: 1.741
local terms energy: -454.515707
where:
bonds (distance) C4'-P energy: -109.483
bonds (distance) P-C4' energy: -114.250
flat angles C4'-P-C4' energy: -116.289
flat angles P-C4'-P energy: -76.816
tors. eta vs tors. theta energy: -37.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -767.988167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.988167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.988167 (E_RNA)
where:
Base-Base interactions energy: -367.572
where: short stacking energy: -195.810
Base-Backbone interact. energy: 3.222
local terms energy: -403.637549
where:
bonds (distance) C4'-P energy: -127.191
bonds (distance) P-C4' energy: -116.441
flat angles C4'-P-C4' energy: -95.396
flat angles P-C4'-P energy: -73.096
tors. eta vs tors. theta energy: 8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2497.345033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.345033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.345033 (E_RNA)
where:
Base-Base interactions energy: -1722.550
where: short stacking energy: -701.137
Base-Backbone interact. energy: -1.061
local terms energy: -773.734428
where:
bonds (distance) C4'-P energy: -155.299
bonds (distance) P-C4' energy: -134.974
flat angles C4'-P-C4' energy: -166.627
flat angles P-C4'-P energy: -104.473
tors. eta vs tors. theta energy: -212.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2411.526074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.526074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.526074 (E_RNA)
where:
Base-Base interactions energy: -1677.569
where: short stacking energy: -710.700
Base-Backbone interact. energy: 0.354
local terms energy: -734.311079
where:
bonds (distance) C4'-P energy: -142.375
bonds (distance) P-C4' energy: -145.145
flat angles C4'-P-C4' energy: -154.003
flat angles P-C4'-P energy: -106.216
tors. eta vs tors. theta energy: -186.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2250.545408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.545408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.545408 (E_RNA)
where:
Base-Base interactions energy: -1522.416
where: short stacking energy: -719.183
Base-Backbone interact. energy: 1.740
local terms energy: -729.869527
where:
bonds (distance) C4'-P energy: -140.050
bonds (distance) P-C4' energy: -131.800
flat angles C4'-P-C4' energy: -150.334
flat angles P-C4'-P energy: -106.973
tors. eta vs tors. theta energy: -200.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2176.659367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.659367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.659367 (E_RNA)
where:
Base-Base interactions energy: -1493.044
where: short stacking energy: -644.975
Base-Backbone interact. energy: -0.182
local terms energy: -683.433703
where:
bonds (distance) C4'-P energy: -140.436
bonds (distance) P-C4' energy: -132.824
flat angles C4'-P-C4' energy: -150.836
flat angles P-C4'-P energy: -86.837
tors. eta vs tors. theta energy: -172.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2006.055482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.055482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.055482 (E_RNA)
where:
Base-Base interactions energy: -1355.049
where: short stacking energy: -592.353
Base-Backbone interact. energy: 0.747
local terms energy: -651.753802
where:
bonds (distance) C4'-P energy: -123.422
bonds (distance) P-C4' energy: -137.254
flat angles C4'-P-C4' energy: -143.917
flat angles P-C4'-P energy: -87.218
tors. eta vs tors. theta energy: -159.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1935.523997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.523997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.523997 (E_RNA)
where:
Base-Base interactions energy: -1293.040
where: short stacking energy: -534.649
Base-Backbone interact. energy: -2.442
local terms energy: -640.041281
where:
bonds (distance) C4'-P energy: -140.369
bonds (distance) P-C4' energy: -122.193
flat angles C4'-P-C4' energy: -140.823
flat angles P-C4'-P energy: -96.669
tors. eta vs tors. theta energy: -139.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1511.993549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.993549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.993549 (E_RNA)
where:
Base-Base interactions energy: -958.102
where: short stacking energy: -461.771
Base-Backbone interact. energy: -3.296
local terms energy: -550.595698
where:
bonds (distance) C4'-P energy: -117.872
bonds (distance) P-C4' energy: -139.054
flat angles C4'-P-C4' energy: -130.708
flat angles P-C4'-P energy: -74.756
tors. eta vs tors. theta energy: -88.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1331.208894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.208894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.208894 (E_RNA)
where:
Base-Base interactions energy: -824.131
where: short stacking energy: -362.903
Base-Backbone interact. energy: 0.671
local terms energy: -507.748476
where:
bonds (distance) C4'-P energy: -108.220
bonds (distance) P-C4' energy: -127.227
flat angles C4'-P-C4' energy: -129.519
flat angles P-C4'-P energy: -65.380
tors. eta vs tors. theta energy: -77.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1098.076305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.076305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.076305 (E_RNA)
where:
Base-Base interactions energy: -610.272
where: short stacking energy: -316.549
Base-Backbone interact. energy: 6.673
local terms energy: -494.476887
where:
bonds (distance) C4'-P energy: -131.692
bonds (distance) P-C4' energy: -134.098
flat angles C4'-P-C4' energy: -119.550
flat angles P-C4'-P energy: -61.328
tors. eta vs tors. theta energy: -47.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -734.967799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.967799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.967799 (E_RNA)
where:
Base-Base interactions energy: -357.684
where: short stacking energy: -184.790
Base-Backbone interact. energy: 1.109
local terms energy: -378.392592
where:
bonds (distance) C4'-P energy: -113.955
bonds (distance) P-C4' energy: -126.440
flat angles C4'-P-C4' energy: -102.765
flat angles P-C4'-P energy: -56.743
tors. eta vs tors. theta energy: 21.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2498.007310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.007310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.007310 (E_RNA)
where:
Base-Base interactions energy: -1740.989
where: short stacking energy: -708.697
Base-Backbone interact. energy: -0.686
local terms energy: -756.332708
where:
bonds (distance) C4'-P energy: -148.781
bonds (distance) P-C4' energy: -151.836
flat angles C4'-P-C4' energy: -155.957
flat angles P-C4'-P energy: -94.218
tors. eta vs tors. theta energy: -205.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2411.487707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.487707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.487707 (E_RNA)
where:
Base-Base interactions energy: -1679.355
where: short stacking energy: -711.369
Base-Backbone interact. energy: 1.276
local terms energy: -733.408679
where:
bonds (distance) C4'-P energy: -125.379
bonds (distance) P-C4' energy: -146.428
flat angles C4'-P-C4' energy: -167.149
flat angles P-C4'-P energy: -106.499
tors. eta vs tors. theta energy: -187.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2253.455577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.455577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.455577 (E_RNA)
where:
Base-Base interactions energy: -1517.692
where: short stacking energy: -715.670
Base-Backbone interact. energy: -2.241
local terms energy: -733.522859
where:
bonds (distance) C4'-P energy: -141.180
bonds (distance) P-C4' energy: -142.251
flat angles C4'-P-C4' energy: -161.814
flat angles P-C4'-P energy: -96.075
tors. eta vs tors. theta energy: -192.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2164.916694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.916694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.916694 (E_RNA)
where:
Base-Base interactions energy: -1469.941
where: short stacking energy: -661.062
Base-Backbone interact. energy: 3.208
local terms energy: -698.183531
where:
bonds (distance) C4'-P energy: -106.694
bonds (distance) P-C4' energy: -138.268
flat angles C4'-P-C4' energy: -159.289
flat angles P-C4'-P energy: -106.444
tors. eta vs tors. theta energy: -187.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -2051.122870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.122870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.122870 (E_RNA)
where:
Base-Base interactions energy: -1402.839
where: short stacking energy: -614.308
Base-Backbone interact. energy: 3.226
local terms energy: -651.509912
where:
bonds (distance) C4'-P energy: -142.478
bonds (distance) P-C4' energy: -115.287
flat angles C4'-P-C4' energy: -136.986
flat angles P-C4'-P energy: -86.313
tors. eta vs tors. theta energy: -170.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1942.892471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.892471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.892471 (E_RNA)
where:
Base-Base interactions energy: -1321.097
where: short stacking energy: -540.241
Base-Backbone interact. energy: 0.211
local terms energy: -622.006396
where:
bonds (distance) C4'-P energy: -116.778
bonds (distance) P-C4' energy: -128.433
flat angles C4'-P-C4' energy: -146.132
flat angles P-C4'-P energy: -80.798
tors. eta vs tors. theta energy: -149.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1535.219090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.219090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.219090 (E_RNA)
where:
Base-Base interactions energy: -989.375
where: short stacking energy: -461.712
Base-Backbone interact. energy: -2.373
local terms energy: -543.471233
where:
bonds (distance) C4'-P energy: -112.026
bonds (distance) P-C4' energy: -116.883
flat angles C4'-P-C4' energy: -127.701
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -110.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1310.100465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.100465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.100465 (E_RNA)
where:
Base-Base interactions energy: -809.677
where: short stacking energy: -382.916
Base-Backbone interact. energy: -1.360
local terms energy: -499.063410
where:
bonds (distance) C4'-P energy: -122.669
bonds (distance) P-C4' energy: -130.136
flat angles C4'-P-C4' energy: -119.936
flat angles P-C4'-P energy: -72.988
tors. eta vs tors. theta energy: -53.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1072.606665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.606665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.606665 (E_RNA)
where:
Base-Base interactions energy: -625.915
where: short stacking energy: -297.304
Base-Backbone interact. energy: -1.135
local terms energy: -445.556188
where:
bonds (distance) C4'-P energy: -117.626
bonds (distance) P-C4' energy: -121.503
flat angles C4'-P-C4' energy: -92.813
flat angles P-C4'-P energy: -69.915
tors. eta vs tors. theta energy: -43.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -837.385798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.385798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.385798 (E_RNA)
where:
Base-Base interactions energy: -449.201
where: short stacking energy: -248.510
Base-Backbone interact. energy: -1.680
local terms energy: -386.505088
where:
bonds (distance) C4'-P energy: -88.815
bonds (distance) P-C4' energy: -117.270
flat angles C4'-P-C4' energy: -99.798
flat angles P-C4'-P energy: -68.588
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2496.385963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.385963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.385963 (E_RNA)
where:
Base-Base interactions energy: -1714.129
where: short stacking energy: -727.741
Base-Backbone interact. energy: -0.364
local terms energy: -781.892521
where:
bonds (distance) C4'-P energy: -141.016
bonds (distance) P-C4' energy: -155.735
flat angles C4'-P-C4' energy: -168.608
flat angles P-C4'-P energy: -110.525
tors. eta vs tors. theta energy: -206.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2423.356291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.356291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.356291 (E_RNA)
where:
Base-Base interactions energy: -1646.675
where: short stacking energy: -714.804
Base-Backbone interact. energy: -4.960
local terms energy: -771.721211
where:
bonds (distance) C4'-P energy: -145.358
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -159.528
flat angles P-C4'-P energy: -120.405
tors. eta vs tors. theta energy: -187.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2212.255760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.255760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.255760 (E_RNA)
where:
Base-Base interactions energy: -1471.849
where: short stacking energy: -695.374
Base-Backbone interact. energy: -4.767
local terms energy: -735.640369
where:
bonds (distance) C4'-P energy: -143.102
bonds (distance) P-C4' energy: -128.814
flat angles C4'-P-C4' energy: -161.208
flat angles P-C4'-P energy: -113.080
tors. eta vs tors. theta energy: -189.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2145.488014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.488014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.488014 (E_RNA)
where:
Base-Base interactions energy: -1436.010
where: short stacking energy: -633.434
Base-Backbone interact. energy: 1.824
local terms energy: -711.302198
where:
bonds (distance) C4'-P energy: -135.817
bonds (distance) P-C4' energy: -142.505
flat angles C4'-P-C4' energy: -155.497
flat angles P-C4'-P energy: -88.270
tors. eta vs tors. theta energy: -189.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1968.468887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.468887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.468887 (E_RNA)
where:
Base-Base interactions energy: -1318.795
where: short stacking energy: -536.087
Base-Backbone interact. energy: -5.196
local terms energy: -644.477476
where:
bonds (distance) C4'-P energy: -115.416
bonds (distance) P-C4' energy: -142.793
flat angles C4'-P-C4' energy: -150.636
flat angles P-C4'-P energy: -84.738
tors. eta vs tors. theta energy: -150.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1943.473586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.473586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.473586 (E_RNA)
where:
Base-Base interactions energy: -1303.173
where: short stacking energy: -562.045
Base-Backbone interact. energy: -1.812
local terms energy: -638.488654
where:
bonds (distance) C4'-P energy: -113.225
bonds (distance) P-C4' energy: -123.795
flat angles C4'-P-C4' energy: -148.524
flat angles P-C4'-P energy: -90.793
tors. eta vs tors. theta energy: -162.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1678.415878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.415878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.415878 (E_RNA)
where:
Base-Base interactions energy: -1094.415
where: short stacking energy: -520.529
Base-Backbone interact. energy: -2.680
local terms energy: -581.320968
where:
bonds (distance) C4'-P energy: -123.283
bonds (distance) P-C4' energy: -128.417
flat angles C4'-P-C4' energy: -118.801
flat angles P-C4'-P energy: -84.082
tors. eta vs tors. theta energy: -126.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1275.555579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.555579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.555579 (E_RNA)
where:
Base-Base interactions energy: -782.310
where: short stacking energy: -380.235
Base-Backbone interact. energy: 5.073
local terms energy: -498.318937
where:
bonds (distance) C4'-P energy: -116.888
bonds (distance) P-C4' energy: -129.211
flat angles C4'-P-C4' energy: -109.183
flat angles P-C4'-P energy: -76.829
tors. eta vs tors. theta energy: -66.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1047.493115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.493115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.493115 (E_RNA)
where:
Base-Base interactions energy: -593.663
where: short stacking energy: -315.825
Base-Backbone interact. energy: -2.994
local terms energy: -450.836485
where:
bonds (distance) C4'-P energy: -119.680
bonds (distance) P-C4' energy: -135.468
flat angles C4'-P-C4' energy: -106.263
flat angles P-C4'-P energy: -53.968
tors. eta vs tors. theta energy: -35.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -862.977536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.977536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.977536 (E_RNA)
where:
Base-Base interactions energy: -473.683
where: short stacking energy: -239.532
Base-Backbone interact. energy: -3.983
local terms energy: -385.311106
where:
bonds (distance) C4'-P energy: -104.687
bonds (distance) P-C4' energy: -114.896
flat angles C4'-P-C4' energy: -103.219
flat angles P-C4'-P energy: -49.101
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2480.488856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.488856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.488856 (E_RNA)
where:
Base-Base interactions energy: -1707.220
where: short stacking energy: -735.010
Base-Backbone interact. energy: -5.772
local terms energy: -767.496737
where:
bonds (distance) C4'-P energy: -138.192
bonds (distance) P-C4' energy: -149.988
flat angles C4'-P-C4' energy: -170.816
flat angles P-C4'-P energy: -110.471
tors. eta vs tors. theta energy: -198.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2411.942108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.942108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.942108 (E_RNA)
where:
Base-Base interactions energy: -1650.893
where: short stacking energy: -708.824
Base-Backbone interact. energy: -0.203
local terms energy: -760.846354
where:
bonds (distance) C4'-P energy: -139.077
bonds (distance) P-C4' energy: -146.359
flat angles C4'-P-C4' energy: -159.766
flat angles P-C4'-P energy: -106.029
tors. eta vs tors. theta energy: -209.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2243.418897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.418897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.418897 (E_RNA)
where:
Base-Base interactions energy: -1521.521
where: short stacking energy: -678.888
Base-Backbone interact. energy: 5.145
local terms energy: -727.042999
where:
bonds (distance) C4'-P energy: -139.762
bonds (distance) P-C4' energy: -132.110
flat angles C4'-P-C4' energy: -159.472
flat angles P-C4'-P energy: -92.065
tors. eta vs tors. theta energy: -203.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2137.520627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.520627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.520627 (E_RNA)
where:
Base-Base interactions energy: -1397.564
where: short stacking energy: -633.338
Base-Backbone interact. energy: -3.417
local terms energy: -736.539499
where:
bonds (distance) C4'-P energy: -144.967
bonds (distance) P-C4' energy: -147.729
flat angles C4'-P-C4' energy: -157.997
flat angles P-C4'-P energy: -95.031
tors. eta vs tors. theta energy: -190.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1964.613529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.613529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.613529 (E_RNA)
where:
Base-Base interactions energy: -1346.379
where: short stacking energy: -569.259
Base-Backbone interact. energy: -3.376
local terms energy: -614.858978
where:
bonds (distance) C4'-P energy: -113.290
bonds (distance) P-C4' energy: -142.358
flat angles C4'-P-C4' energy: -135.621
flat angles P-C4'-P energy: -85.983
tors. eta vs tors. theta energy: -137.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1958.571238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.571238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.571238 (E_RNA)
where:
Base-Base interactions energy: -1311.415
where: short stacking energy: -557.630
Base-Backbone interact. energy: -1.012
local terms energy: -646.144826
where:
bonds (distance) C4'-P energy: -115.912
bonds (distance) P-C4' energy: -136.040
flat angles C4'-P-C4' energy: -142.013
flat angles P-C4'-P energy: -104.499
tors. eta vs tors. theta energy: -147.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1679.456915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.456915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.456915 (E_RNA)
where:
Base-Base interactions energy: -1115.227
where: short stacking energy: -531.732
Base-Backbone interact. energy: -2.493
local terms energy: -561.737094
where:
bonds (distance) C4'-P energy: -119.876
bonds (distance) P-C4' energy: -108.011
flat angles C4'-P-C4' energy: -126.081
flat angles P-C4'-P energy: -78.866
tors. eta vs tors. theta energy: -128.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1265.175028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.175028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.175028 (E_RNA)
where:
Base-Base interactions energy: -778.216
where: short stacking energy: -373.413
Base-Backbone interact. energy: -0.926
local terms energy: -486.032491
where:
bonds (distance) C4'-P energy: -120.770
bonds (distance) P-C4' energy: -106.289
flat angles C4'-P-C4' energy: -124.682
flat angles P-C4'-P energy: -70.782
tors. eta vs tors. theta energy: -63.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1019.198710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.198710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.198710 (E_RNA)
where:
Base-Base interactions energy: -557.910
where: short stacking energy: -277.582
Base-Backbone interact. energy: 0.725
local terms energy: -462.013695
where:
bonds (distance) C4'-P energy: -121.176
bonds (distance) P-C4' energy: -128.410
flat angles C4'-P-C4' energy: -110.691
flat angles P-C4'-P energy: -79.817
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -792.961953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.961953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.961953 (E_RNA)
where:
Base-Base interactions energy: -394.150
where: short stacking energy: -208.295
Base-Backbone interact. energy: 1.349
local terms energy: -400.161123
where:
bonds (distance) C4'-P energy: -125.815
bonds (distance) P-C4' energy: -101.488
flat angles C4'-P-C4' energy: -102.288
flat angles P-C4'-P energy: -66.588
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2474.665278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.665278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.665278 (E_RNA)
where:
Base-Base interactions energy: -1707.223
where: short stacking energy: -735.610
Base-Backbone interact. energy: -3.212
local terms energy: -764.229714
where:
bonds (distance) C4'-P energy: -143.425
bonds (distance) P-C4' energy: -147.385
flat angles C4'-P-C4' energy: -164.018
flat angles P-C4'-P energy: -118.047
tors. eta vs tors. theta energy: -191.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2450.874755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.874755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.874755 (E_RNA)
where:
Base-Base interactions energy: -1683.069
where: short stacking energy: -747.311
Base-Backbone interact. energy: -3.750
local terms energy: -764.055046
where:
bonds (distance) C4'-P energy: -128.066
bonds (distance) P-C4' energy: -145.368
flat angles C4'-P-C4' energy: -166.721
flat angles P-C4'-P energy: -102.858
tors. eta vs tors. theta energy: -221.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2272.316175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.316175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.316175 (E_RNA)
where:
Base-Base interactions energy: -1566.275
where: short stacking energy: -684.006
Base-Backbone interact. energy: -4.979
local terms energy: -701.061517
where:
bonds (distance) C4'-P energy: -131.477
bonds (distance) P-C4' energy: -129.730
flat angles C4'-P-C4' energy: -157.474
flat angles P-C4'-P energy: -85.951
tors. eta vs tors. theta energy: -196.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2111.772317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.772317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.772317 (E_RNA)
where:
Base-Base interactions energy: -1427.514
where: short stacking energy: -634.678
Base-Backbone interact. energy: -1.713
local terms energy: -682.545613
where:
bonds (distance) C4'-P energy: -126.151
bonds (distance) P-C4' energy: -131.475
flat angles C4'-P-C4' energy: -154.753
flat angles P-C4'-P energy: -96.380
tors. eta vs tors. theta energy: -173.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1955.232855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.232855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.232855 (E_RNA)
where:
Base-Base interactions energy: -1316.902
where: short stacking energy: -551.004
Base-Backbone interact. energy: -1.454
local terms energy: -636.875984
where:
bonds (distance) C4'-P energy: -131.366
bonds (distance) P-C4' energy: -128.046
flat angles C4'-P-C4' energy: -151.846
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: -137.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1964.518144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.518144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.518144 (E_RNA)
where:
Base-Base interactions energy: -1319.117
where: short stacking energy: -563.986
Base-Backbone interact. energy: 1.459
local terms energy: -646.859956
where:
bonds (distance) C4'-P energy: -124.860
bonds (distance) P-C4' energy: -133.187
flat angles C4'-P-C4' energy: -144.461
flat angles P-C4'-P energy: -95.987
tors. eta vs tors. theta energy: -148.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1590.523682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.523682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.523682 (E_RNA)
where:
Base-Base interactions energy: -1053.103
where: short stacking energy: -487.680
Base-Backbone interact. energy: -2.814
local terms energy: -534.606762
where:
bonds (distance) C4'-P energy: -105.991
bonds (distance) P-C4' energy: -115.812
flat angles C4'-P-C4' energy: -130.388
flat angles P-C4'-P energy: -72.008
tors. eta vs tors. theta energy: -110.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1309.766992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.766992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.766992 (E_RNA)
where:
Base-Base interactions energy: -785.414
where: short stacking energy: -379.415
Base-Backbone interact. energy: -1.877
local terms energy: -522.476358
where:
bonds (distance) C4'-P energy: -117.307
bonds (distance) P-C4' energy: -140.450
flat angles C4'-P-C4' energy: -118.491
flat angles P-C4'-P energy: -70.799
tors. eta vs tors. theta energy: -75.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1067.370219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.370219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.370219 (E_RNA)
where:
Base-Base interactions energy: -566.752
where: short stacking energy: -309.195
Base-Backbone interact. energy: -2.621
local terms energy: -497.997656
where:
bonds (distance) C4'-P energy: -110.660
bonds (distance) P-C4' energy: -140.315
flat angles C4'-P-C4' energy: -133.160
flat angles P-C4'-P energy: -67.944
tors. eta vs tors. theta energy: -45.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -823.501316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.501316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.501316 (E_RNA)
where:
Base-Base interactions energy: -442.261
where: short stacking energy: -239.639
Base-Backbone interact. energy: 0.940
local terms energy: -382.180971
where:
bonds (distance) C4'-P energy: -115.046
bonds (distance) P-C4' energy: -109.078
flat angles C4'-P-C4' energy: -97.622
flat angles P-C4'-P energy: -55.411
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2446.154941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.154941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.154941 (E_RNA)
where:
Base-Base interactions energy: -1697.750
where: short stacking energy: -728.010
Base-Backbone interact. energy: -1.096
local terms energy: -747.308980
where:
bonds (distance) C4'-P energy: -145.222
bonds (distance) P-C4' energy: -132.959
flat angles C4'-P-C4' energy: -165.073
flat angles P-C4'-P energy: -104.795
tors. eta vs tors. theta energy: -199.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2432.842567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.842567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.842567 (E_RNA)
where:
Base-Base interactions energy: -1679.861
where: short stacking energy: -705.837
Base-Backbone interact. energy: -2.262
local terms energy: -750.719523
where:
bonds (distance) C4'-P energy: -143.833
bonds (distance) P-C4' energy: -145.440
flat angles C4'-P-C4' energy: -156.124
flat angles P-C4'-P energy: -96.238
tors. eta vs tors. theta energy: -209.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2257.940310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.940310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.940310 (E_RNA)
where:
Base-Base interactions energy: -1552.517
where: short stacking energy: -685.545
Base-Backbone interact. energy: -6.901
local terms energy: -698.522620
where:
bonds (distance) C4'-P energy: -116.302
bonds (distance) P-C4' energy: -146.302
flat angles C4'-P-C4' energy: -145.686
flat angles P-C4'-P energy: -96.945
tors. eta vs tors. theta energy: -193.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2126.929984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.929984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.929984 (E_RNA)
where:
Base-Base interactions energy: -1434.527
where: short stacking energy: -638.777
Base-Backbone interact. energy: -0.640
local terms energy: -691.763262
where:
bonds (distance) C4'-P energy: -131.979
bonds (distance) P-C4' energy: -138.200
flat angles C4'-P-C4' energy: -144.232
flat angles P-C4'-P energy: -96.866
tors. eta vs tors. theta energy: -180.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1957.299302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.299302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.299302 (E_RNA)
where:
Base-Base interactions energy: -1299.093
where: short stacking energy: -569.424
Base-Backbone interact. energy: -2.414
local terms energy: -655.792549
where:
bonds (distance) C4'-P energy: -132.378
bonds (distance) P-C4' energy: -135.864
flat angles C4'-P-C4' energy: -145.399
flat angles P-C4'-P energy: -93.508
tors. eta vs tors. theta energy: -148.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1907.874855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.874855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.874855 (E_RNA)
where:
Base-Base interactions energy: -1317.378
where: short stacking energy: -563.227
Base-Backbone interact. energy: -0.652
local terms energy: -589.844583
where:
bonds (distance) C4'-P energy: -114.857
bonds (distance) P-C4' energy: -115.083
flat angles C4'-P-C4' energy: -121.612
flat angles P-C4'-P energy: -92.448
tors. eta vs tors. theta energy: -145.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1522.082059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.082059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.082059 (E_RNA)
where:
Base-Base interactions energy: -968.442
where: short stacking energy: -446.261
Base-Backbone interact. energy: -3.246
local terms energy: -550.394000
where:
bonds (distance) C4'-P energy: -108.059
bonds (distance) P-C4' energy: -136.919
flat angles C4'-P-C4' energy: -127.662
flat angles P-C4'-P energy: -85.406
tors. eta vs tors. theta energy: -92.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1254.141708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.141708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.141708 (E_RNA)
where:
Base-Base interactions energy: -742.137
where: short stacking energy: -351.867
Base-Backbone interact. energy: 4.333
local terms energy: -516.337224
where:
bonds (distance) C4'-P energy: -95.417
bonds (distance) P-C4' energy: -147.035
flat angles C4'-P-C4' energy: -109.756
flat angles P-C4'-P energy: -88.521
tors. eta vs tors. theta energy: -75.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1113.203389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.203389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.203389 (E_RNA)
where:
Base-Base interactions energy: -648.379
where: short stacking energy: -327.036
Base-Backbone interact. energy: -1.635
local terms energy: -463.188856
where:
bonds (distance) C4'-P energy: -117.872
bonds (distance) P-C4' energy: -121.190
flat angles C4'-P-C4' energy: -123.229
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -36.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -828.300308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.300308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.300308 (E_RNA)
where:
Base-Base interactions energy: -474.578
where: short stacking energy: -234.582
Base-Backbone interact. energy: 5.843
local terms energy: -359.566041
where:
bonds (distance) C4'-P energy: -104.798
bonds (distance) P-C4' energy: -107.575
flat angles C4'-P-C4' energy: -101.380
flat angles P-C4'-P energy: -52.184
tors. eta vs tors. theta energy: 6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2485.009071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.009071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.009071 (E_RNA)
where:
Base-Base interactions energy: -1692.227
where: short stacking energy: -720.983
Base-Backbone interact. energy: -2.774
local terms energy: -790.007873
where:
bonds (distance) C4'-P energy: -142.514
bonds (distance) P-C4' energy: -148.912
flat angles C4'-P-C4' energy: -176.547
flat angles P-C4'-P energy: -119.414
tors. eta vs tors. theta energy: -202.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2410.983423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.983423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.983423 (E_RNA)
where:
Base-Base interactions energy: -1663.461
where: short stacking energy: -693.919
Base-Backbone interact. energy: -2.369
local terms energy: -745.153449
where:
bonds (distance) C4'-P energy: -133.755
bonds (distance) P-C4' energy: -156.983
flat angles C4'-P-C4' energy: -153.624
flat angles P-C4'-P energy: -102.551
tors. eta vs tors. theta energy: -198.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2303.352101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.352101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.352101 (E_RNA)
where:
Base-Base interactions energy: -1576.317
where: short stacking energy: -706.157
Base-Backbone interact. energy: -4.512
local terms energy: -722.522634
where:
bonds (distance) C4'-P energy: -126.646
bonds (distance) P-C4' energy: -139.422
flat angles C4'-P-C4' energy: -161.287
flat angles P-C4'-P energy: -84.958
tors. eta vs tors. theta energy: -210.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2141.758993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.758993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.758993 (E_RNA)
where:
Base-Base interactions energy: -1454.247
where: short stacking energy: -643.337
Base-Backbone interact. energy: -1.845
local terms energy: -685.666964
where:
bonds (distance) C4'-P energy: -124.457
bonds (distance) P-C4' energy: -155.061
flat angles C4'-P-C4' energy: -142.580
flat angles P-C4'-P energy: -93.659
tors. eta vs tors. theta energy: -169.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1949.787869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.787869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.787869 (E_RNA)
where:
Base-Base interactions energy: -1306.178
where: short stacking energy: -551.348
Base-Backbone interact. energy: -3.058
local terms energy: -640.551411
where:
bonds (distance) C4'-P energy: -140.572
bonds (distance) P-C4' energy: -125.106
flat angles C4'-P-C4' energy: -149.706
flat angles P-C4'-P energy: -90.034
tors. eta vs tors. theta energy: -135.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1973.521919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.521919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.521919 (E_RNA)
where:
Base-Base interactions energy: -1329.775
where: short stacking energy: -570.659
Base-Backbone interact. energy: -3.157
local terms energy: -640.589572
where:
bonds (distance) C4'-P energy: -126.317
bonds (distance) P-C4' energy: -131.099
flat angles C4'-P-C4' energy: -132.431
flat angles P-C4'-P energy: -82.007
tors. eta vs tors. theta energy: -168.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1508.161969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.161969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.161969 (E_RNA)
where:
Base-Base interactions energy: -926.456
where: short stacking energy: -448.469
Base-Backbone interact. energy: -4.780
local terms energy: -576.926113
where:
bonds (distance) C4'-P energy: -124.396
bonds (distance) P-C4' energy: -134.729
flat angles C4'-P-C4' energy: -127.862
flat angles P-C4'-P energy: -82.926
tors. eta vs tors. theta energy: -107.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1270.446512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.446512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.446512 (E_RNA)
where:
Base-Base interactions energy: -770.331
where: short stacking energy: -357.697
Base-Backbone interact. energy: -2.270
local terms energy: -497.845668
where:
bonds (distance) C4'-P energy: -128.697
bonds (distance) P-C4' energy: -125.744
flat angles C4'-P-C4' energy: -107.973
flat angles P-C4'-P energy: -86.640
tors. eta vs tors. theta energy: -48.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1174.022699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.022699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.022699 (E_RNA)
where:
Base-Base interactions energy: -698.930
where: short stacking energy: -344.912
Base-Backbone interact. energy: 1.008
local terms energy: -476.100117
where:
bonds (distance) C4'-P energy: -116.256
bonds (distance) P-C4' energy: -118.228
flat angles C4'-P-C4' energy: -106.264
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -56.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -877.674745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.674745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.674745 (E_RNA)
where:
Base-Base interactions energy: -462.091
where: short stacking energy: -244.565
Base-Backbone interact. energy: -2.620
local terms energy: -412.963638
where:
bonds (distance) C4'-P energy: -128.621
bonds (distance) P-C4' energy: -114.495
flat angles C4'-P-C4' energy: -86.152
flat angles P-C4'-P energy: -69.581
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2487.904546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.904546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.904546 (E_RNA)
where:
Base-Base interactions energy: -1724.960
where: short stacking energy: -726.650
Base-Backbone interact. energy: -4.618
local terms energy: -758.326609
where:
bonds (distance) C4'-P energy: -141.809
bonds (distance) P-C4' energy: -154.183
flat angles C4'-P-C4' energy: -164.537
flat angles P-C4'-P energy: -102.190
tors. eta vs tors. theta energy: -195.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2391.136465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.136465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.136465 (E_RNA)
where:
Base-Base interactions energy: -1652.464
where: short stacking energy: -698.906
Base-Backbone interact. energy: -5.534
local terms energy: -733.138217
where:
bonds (distance) C4'-P energy: -138.640
bonds (distance) P-C4' energy: -145.592
flat angles C4'-P-C4' energy: -150.220
flat angles P-C4'-P energy: -106.289
tors. eta vs tors. theta energy: -192.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2280.888586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.888586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.888586 (E_RNA)
where:
Base-Base interactions energy: -1546.661
where: short stacking energy: -681.891
Base-Backbone interact. energy: 2.074
local terms energy: -736.301085
where:
bonds (distance) C4'-P energy: -129.737
bonds (distance) P-C4' energy: -144.244
flat angles C4'-P-C4' energy: -147.940
flat angles P-C4'-P energy: -112.719
tors. eta vs tors. theta energy: -201.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2128.653847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.653847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.653847 (E_RNA)
where:
Base-Base interactions energy: -1417.546
where: short stacking energy: -631.364
Base-Backbone interact. energy: 1.300
local terms energy: -712.407632
where:
bonds (distance) C4'-P energy: -138.519
bonds (distance) P-C4' energy: -149.684
flat angles C4'-P-C4' energy: -156.861
flat angles P-C4'-P energy: -96.193
tors. eta vs tors. theta energy: -171.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2050.849799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.849799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.849799 (E_RNA)
where:
Base-Base interactions energy: -1389.157
where: short stacking energy: -620.189
Base-Backbone interact. energy: -3.349
local terms energy: -658.343795
where:
bonds (distance) C4'-P energy: -115.844
bonds (distance) P-C4' energy: -128.836
flat angles C4'-P-C4' energy: -150.190
flat angles P-C4'-P energy: -92.978
tors. eta vs tors. theta energy: -170.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1904.103315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.103315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.103315 (E_RNA)
where:
Base-Base interactions energy: -1307.807
where: short stacking energy: -569.861
Base-Backbone interact. energy: 8.990
local terms energy: -605.286628
where:
bonds (distance) C4'-P energy: -130.509
bonds (distance) P-C4' energy: -127.469
flat angles C4'-P-C4' energy: -126.955
flat angles P-C4'-P energy: -82.975
tors. eta vs tors. theta energy: -137.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1457.984943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.984943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.984943 (E_RNA)
where:
Base-Base interactions energy: -920.023
where: short stacking energy: -454.508
Base-Backbone interact. energy: -1.367
local terms energy: -536.595583
where:
bonds (distance) C4'-P energy: -98.734
bonds (distance) P-C4' energy: -122.148
flat angles C4'-P-C4' energy: -126.707
flat angles P-C4'-P energy: -83.811
tors. eta vs tors. theta energy: -105.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1313.186286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.186286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.186286 (E_RNA)
where:
Base-Base interactions energy: -764.707
where: short stacking energy: -378.095
Base-Backbone interact. energy: 4.121
local terms energy: -552.600830
where:
bonds (distance) C4'-P energy: -133.397
bonds (distance) P-C4' energy: -115.642
flat angles C4'-P-C4' energy: -129.187
flat angles P-C4'-P energy: -87.613
tors. eta vs tors. theta energy: -86.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1210.887507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.887507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.887507 (E_RNA)
where:
Base-Base interactions energy: -703.349
where: short stacking energy: -360.109
Base-Backbone interact. energy: 0.598
local terms energy: -508.135798
where:
bonds (distance) C4'-P energy: -105.334
bonds (distance) P-C4' energy: -145.919
flat angles C4'-P-C4' energy: -120.777
flat angles P-C4'-P energy: -69.434
tors. eta vs tors. theta energy: -66.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -917.141154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.141154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.141154 (E_RNA)
where:
Base-Base interactions energy: -539.715
where: short stacking energy: -272.251
Base-Backbone interact. energy: 7.240
local terms energy: -384.666004
where:
bonds (distance) C4'-P energy: -107.961
bonds (distance) P-C4' energy: -105.324
flat angles C4'-P-C4' energy: -90.151
flat angles P-C4'-P energy: -65.138
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2454.547319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.547319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.547319 (E_RNA)
where:
Base-Base interactions energy: -1687.357
where: short stacking energy: -717.641
Base-Backbone interact. energy: -3.232
local terms energy: -763.958102
where:
bonds (distance) C4'-P energy: -164.691
bonds (distance) P-C4' energy: -139.012
flat angles C4'-P-C4' energy: -172.630
flat angles P-C4'-P energy: -91.467
tors. eta vs tors. theta energy: -196.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2423.575746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.575746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.575746 (E_RNA)
where:
Base-Base interactions energy: -1663.913
where: short stacking energy: -703.022
Base-Backbone interact. energy: 0.724
local terms energy: -760.386715
where:
bonds (distance) C4'-P energy: -141.400
bonds (distance) P-C4' energy: -148.223
flat angles C4'-P-C4' energy: -165.736
flat angles P-C4'-P energy: -100.728
tors. eta vs tors. theta energy: -204.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2208.636380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.636380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.636380 (E_RNA)
where:
Base-Base interactions energy: -1502.163
where: short stacking energy: -634.924
Base-Backbone interact. energy: 1.459
local terms energy: -707.932289
where:
bonds (distance) C4'-P energy: -147.013
bonds (distance) P-C4' energy: -112.442
flat angles C4'-P-C4' energy: -158.040
flat angles P-C4'-P energy: -117.734
tors. eta vs tors. theta energy: -172.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2092.756242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.756242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.756242 (E_RNA)
where:
Base-Base interactions energy: -1393.514
where: short stacking energy: -626.399
Base-Backbone interact. energy: -2.482
local terms energy: -696.759857
where:
bonds (distance) C4'-P energy: -140.779
bonds (distance) P-C4' energy: -123.243
flat angles C4'-P-C4' energy: -147.233
flat angles P-C4'-P energy: -113.187
tors. eta vs tors. theta energy: -172.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2097.386952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.386952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.386952 (E_RNA)
where:
Base-Base interactions energy: -1405.152
where: short stacking energy: -615.327
Base-Backbone interact. energy: -4.824
local terms energy: -687.410738
where:
bonds (distance) C4'-P energy: -132.582
bonds (distance) P-C4' energy: -124.407
flat angles C4'-P-C4' energy: -158.085
flat angles P-C4'-P energy: -96.454
tors. eta vs tors. theta energy: -175.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1865.205912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.205912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.205912 (E_RNA)
where:
Base-Base interactions energy: -1247.347
where: short stacking energy: -508.309
Base-Backbone interact. energy: -2.885
local terms energy: -614.974377
where:
bonds (distance) C4'-P energy: -128.880
bonds (distance) P-C4' energy: -126.266
flat angles C4'-P-C4' energy: -140.139
flat angles P-C4'-P energy: -86.428
tors. eta vs tors. theta energy: -133.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1492.280646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.280646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.280646 (E_RNA)
where:
Base-Base interactions energy: -931.279
where: short stacking energy: -473.618
Base-Backbone interact. energy: 4.078
local terms energy: -565.080173
where:
bonds (distance) C4'-P energy: -115.010
bonds (distance) P-C4' energy: -137.478
flat angles C4'-P-C4' energy: -139.270
flat angles P-C4'-P energy: -62.686
tors. eta vs tors. theta energy: -110.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1316.766503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.766503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.766503 (E_RNA)
where:
Base-Base interactions energy: -827.352
where: short stacking energy: -398.114
Base-Backbone interact. energy: 0.612
local terms energy: -490.026716
where:
bonds (distance) C4'-P energy: -123.678
bonds (distance) P-C4' energy: -97.617
flat angles C4'-P-C4' energy: -119.989
flat angles P-C4'-P energy: -67.408
tors. eta vs tors. theta energy: -81.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1278.569381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.569381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.569381 (E_RNA)
where:
Base-Base interactions energy: -777.867
where: short stacking energy: -353.984
Base-Backbone interact. energy: -2.091
local terms energy: -498.611145
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -139.015
flat angles C4'-P-C4' energy: -121.373
flat angles P-C4'-P energy: -67.274
tors. eta vs tors. theta energy: -54.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -857.653843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.653843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.653843 (E_RNA)
where:
Base-Base interactions energy: -439.125
where: short stacking energy: -251.847
Base-Backbone interact. energy: 4.118
local terms energy: -422.647029
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -124.800
flat angles C4'-P-C4' energy: -105.137
flat angles P-C4'-P energy: -59.220
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2483.033771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.033771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.033771 (E_RNA)
where:
Base-Base interactions energy: -1694.140
where: short stacking energy: -723.402
Base-Backbone interact. energy: -3.146
local terms energy: -785.747498
where:
bonds (distance) C4'-P energy: -152.199
bonds (distance) P-C4' energy: -147.123
flat angles C4'-P-C4' energy: -163.117
flat angles P-C4'-P energy: -107.494
tors. eta vs tors. theta energy: -215.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2421.760482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.760482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.760482 (E_RNA)
where:
Base-Base interactions energy: -1678.419
where: short stacking energy: -718.379
Base-Backbone interact. energy: 1.113
local terms energy: -744.454610
where:
bonds (distance) C4'-P energy: -143.722
bonds (distance) P-C4' energy: -136.987
flat angles C4'-P-C4' energy: -168.940
flat angles P-C4'-P energy: -108.508
tors. eta vs tors. theta energy: -186.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2277.994093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.994093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.994093 (E_RNA)
where:
Base-Base interactions energy: -1557.331
where: short stacking energy: -661.775
Base-Backbone interact. energy: -2.180
local terms energy: -718.482536
where:
bonds (distance) C4'-P energy: -148.560
bonds (distance) P-C4' energy: -137.921
flat angles C4'-P-C4' energy: -159.889
flat angles P-C4'-P energy: -115.478
tors. eta vs tors. theta energy: -156.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2127.350642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.350642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.350642 (E_RNA)
where:
Base-Base interactions energy: -1428.089
where: short stacking energy: -636.849
Base-Backbone interact. energy: -2.778
local terms energy: -696.484105
where:
bonds (distance) C4'-P energy: -110.208
bonds (distance) P-C4' energy: -147.452
flat angles C4'-P-C4' energy: -161.944
flat angles P-C4'-P energy: -94.393
tors. eta vs tors. theta energy: -182.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2095.290942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.290942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.290942 (E_RNA)
where:
Base-Base interactions energy: -1464.621
where: short stacking energy: -636.622
Base-Backbone interact. energy: 5.016
local terms energy: -635.686503
where:
bonds (distance) C4'-P energy: -135.401
bonds (distance) P-C4' energy: -101.810
flat angles C4'-P-C4' energy: -135.198
flat angles P-C4'-P energy: -95.295
tors. eta vs tors. theta energy: -167.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1809.017088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.017088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.017088 (E_RNA)
where:
Base-Base interactions energy: -1220.176
where: short stacking energy: -517.240
Base-Backbone interact. energy: 1.766
local terms energy: -590.607971
where:
bonds (distance) C4'-P energy: -111.340
bonds (distance) P-C4' energy: -128.096
flat angles C4'-P-C4' energy: -145.271
flat angles P-C4'-P energy: -82.628
tors. eta vs tors. theta energy: -123.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1453.649645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.649645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.649645 (E_RNA)
where:
Base-Base interactions energy: -944.154
where: short stacking energy: -415.973
Base-Backbone interact. energy: 8.405
local terms energy: -517.900850
where:
bonds (distance) C4'-P energy: -119.628
bonds (distance) P-C4' energy: -130.502
flat angles C4'-P-C4' energy: -113.043
flat angles P-C4'-P energy: -68.654
tors. eta vs tors. theta energy: -86.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1282.562770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.562770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.562770 (E_RNA)
where:
Base-Base interactions energy: -762.525
where: short stacking energy: -372.616
Base-Backbone interact. energy: 1.182
local terms energy: -521.219302
where:
bonds (distance) C4'-P energy: -134.856
bonds (distance) P-C4' energy: -114.310
flat angles C4'-P-C4' energy: -130.818
flat angles P-C4'-P energy: -64.904
tors. eta vs tors. theta energy: -76.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1252.980193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.980193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.980193 (E_RNA)
where:
Base-Base interactions energy: -783.308
where: short stacking energy: -372.267
Base-Backbone interact. energy: 0.362
local terms energy: -470.033887
where:
bonds (distance) C4'-P energy: -90.410
bonds (distance) P-C4' energy: -112.187
flat angles C4'-P-C4' energy: -122.156
flat angles P-C4'-P energy: -84.836
tors. eta vs tors. theta energy: -60.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -838.753770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.753770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.753770 (E_RNA)
where:
Base-Base interactions energy: -445.455
where: short stacking energy: -253.309
Base-Backbone interact. energy: 0.724
local terms energy: -394.023207
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -116.344
flat angles C4'-P-C4' energy: -130.773
flat angles P-C4'-P energy: -61.050
tors. eta vs tors. theta energy: 13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2475.705636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.705636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.705636 (E_RNA)
where:
Base-Base interactions energy: -1701.280
where: short stacking energy: -758.981
Base-Backbone interact. energy: 2.258
local terms energy: -776.683859
where:
bonds (distance) C4'-P energy: -141.119
bonds (distance) P-C4' energy: -152.210
flat angles C4'-P-C4' energy: -169.239
flat angles P-C4'-P energy: -105.819
tors. eta vs tors. theta energy: -208.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2416.710985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.710985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.710985 (E_RNA)
where:
Base-Base interactions energy: -1670.199
where: short stacking energy: -695.339
Base-Backbone interact. energy: -0.944
local terms energy: -745.567722
where:
bonds (distance) C4'-P energy: -148.050
bonds (distance) P-C4' energy: -152.171
flat angles C4'-P-C4' energy: -153.623
flat angles P-C4'-P energy: -121.569
tors. eta vs tors. theta energy: -170.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2257.579663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.579663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.579663 (E_RNA)
where:
Base-Base interactions energy: -1530.899
where: short stacking energy: -659.592
Base-Backbone interact. energy: -0.805
local terms energy: -725.875702
where:
bonds (distance) C4'-P energy: -143.348
bonds (distance) P-C4' energy: -145.104
flat angles C4'-P-C4' energy: -161.572
flat angles P-C4'-P energy: -104.986
tors. eta vs tors. theta energy: -170.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2126.314021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.314021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.314021 (E_RNA)
where:
Base-Base interactions energy: -1425.728
where: short stacking energy: -629.742
Base-Backbone interact. energy: -3.350
local terms energy: -697.236337
where:
bonds (distance) C4'-P energy: -154.991
bonds (distance) P-C4' energy: -145.226
flat angles C4'-P-C4' energy: -146.021
flat angles P-C4'-P energy: -87.109
tors. eta vs tors. theta energy: -163.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2079.788387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.788387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.788387 (E_RNA)
where:
Base-Base interactions energy: -1417.443
where: short stacking energy: -611.339
Base-Backbone interact. energy: -2.955
local terms energy: -659.390333
where:
bonds (distance) C4'-P energy: -133.010
bonds (distance) P-C4' energy: -110.645
flat angles C4'-P-C4' energy: -163.636
flat angles P-C4'-P energy: -80.433
tors. eta vs tors. theta energy: -171.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1754.115038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.115038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.115038 (E_RNA)
where:
Base-Base interactions energy: -1152.196
where: short stacking energy: -513.225
Base-Backbone interact. energy: -4.556
local terms energy: -597.362936
where:
bonds (distance) C4'-P energy: -121.005
bonds (distance) P-C4' energy: -133.947
flat angles C4'-P-C4' energy: -140.543
flat angles P-C4'-P energy: -82.181
tors. eta vs tors. theta energy: -119.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1480.614190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.614190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.614190 (E_RNA)
where:
Base-Base interactions energy: -895.262
where: short stacking energy: -440.493
Base-Backbone interact. energy: -2.163
local terms energy: -583.188983
where:
bonds (distance) C4'-P energy: -121.626
bonds (distance) P-C4' energy: -144.479
flat angles C4'-P-C4' energy: -145.726
flat angles P-C4'-P energy: -84.494
tors. eta vs tors. theta energy: -86.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1364.441946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.441946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.441946 (E_RNA)
where:
Base-Base interactions energy: -855.051
where: short stacking energy: -418.421
Base-Backbone interact. energy: -0.441
local terms energy: -508.949408
where:
bonds (distance) C4'-P energy: -116.642
bonds (distance) P-C4' energy: -137.599
flat angles C4'-P-C4' energy: -105.816
flat angles P-C4'-P energy: -65.974
tors. eta vs tors. theta energy: -82.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1162.799822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.799822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.799822 (E_RNA)
where:
Base-Base interactions energy: -692.862
where: short stacking energy: -358.470
Base-Backbone interact. energy: 4.496
local terms energy: -474.432911
where:
bonds (distance) C4'-P energy: -125.533
bonds (distance) P-C4' energy: -114.231
flat angles C4'-P-C4' energy: -113.065
flat angles P-C4'-P energy: -74.047
tors. eta vs tors. theta energy: -47.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -856.049726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.049726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.049726 (E_RNA)
where:
Base-Base interactions energy: -448.338
where: short stacking energy: -250.357
Base-Backbone interact. energy: -0.383
local terms energy: -407.328344
where:
bonds (distance) C4'-P energy: -106.828
bonds (distance) P-C4' energy: -110.473
flat angles C4'-P-C4' energy: -103.302
flat angles P-C4'-P energy: -82.690
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2480.666979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.666979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.666979 (E_RNA)
where:
Base-Base interactions energy: -1689.362
where: short stacking energy: -724.875
Base-Backbone interact. energy: -3.017
local terms energy: -788.288104
where:
bonds (distance) C4'-P energy: -132.640
bonds (distance) P-C4' energy: -155.947
flat angles C4'-P-C4' energy: -172.397
flat angles P-C4'-P energy: -117.091
tors. eta vs tors. theta energy: -210.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2428.715311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.715311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.715311 (E_RNA)
where:
Base-Base interactions energy: -1691.125
where: short stacking energy: -689.417
Base-Backbone interact. energy: -2.422
local terms energy: -735.168023
where:
bonds (distance) C4'-P energy: -129.703
bonds (distance) P-C4' energy: -130.078
flat angles C4'-P-C4' energy: -172.890
flat angles P-C4'-P energy: -97.850
tors. eta vs tors. theta energy: -204.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2297.908486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.908486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.908486 (E_RNA)
where:
Base-Base interactions energy: -1562.827
where: short stacking energy: -701.195
Base-Backbone interact. energy: -4.702
local terms energy: -730.379228
where:
bonds (distance) C4'-P energy: -129.997
bonds (distance) P-C4' energy: -123.018
flat angles C4'-P-C4' energy: -170.796
flat angles P-C4'-P energy: -112.253
tors. eta vs tors. theta energy: -194.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2062.844074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.844074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.844074 (E_RNA)
where:
Base-Base interactions energy: -1382.558
where: short stacking energy: -591.646
Base-Backbone interact. energy: -3.684
local terms energy: -676.601482
where:
bonds (distance) C4'-P energy: -144.865
bonds (distance) P-C4' energy: -142.087
flat angles C4'-P-C4' energy: -148.161
flat angles P-C4'-P energy: -89.278
tors. eta vs tors. theta energy: -152.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2120.091517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.091517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.091517 (E_RNA)
where:
Base-Base interactions energy: -1428.468
where: short stacking energy: -631.101
Base-Backbone interact. energy: 1.652
local terms energy: -693.275875
where:
bonds (distance) C4'-P energy: -122.435
bonds (distance) P-C4' energy: -130.817
flat angles C4'-P-C4' energy: -139.710
flat angles P-C4'-P energy: -114.290
tors. eta vs tors. theta energy: -186.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1771.026365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.026365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.026365 (E_RNA)
where:
Base-Base interactions energy: -1156.449
where: short stacking energy: -488.842
Base-Backbone interact. energy: -2.447
local terms energy: -612.130405
where:
bonds (distance) C4'-P energy: -120.245
bonds (distance) P-C4' energy: -146.877
flat angles C4'-P-C4' energy: -129.543
flat angles P-C4'-P energy: -81.767
tors. eta vs tors. theta energy: -133.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1500.366210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.366210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.366210 (E_RNA)
where:
Base-Base interactions energy: -979.348
where: short stacking energy: -425.341
Base-Backbone interact. energy: -1.142
local terms energy: -519.875963
where:
bonds (distance) C4'-P energy: -120.859
bonds (distance) P-C4' energy: -124.206
flat angles C4'-P-C4' energy: -125.796
flat angles P-C4'-P energy: -84.784
tors. eta vs tors. theta energy: -64.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1392.053698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.053698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.053698 (E_RNA)
where:
Base-Base interactions energy: -850.714
where: short stacking energy: -387.444
Base-Backbone interact. energy: -2.128
local terms energy: -539.211637
where:
bonds (distance) C4'-P energy: -132.957
bonds (distance) P-C4' energy: -119.589
flat angles C4'-P-C4' energy: -127.450
flat angles P-C4'-P energy: -82.300
tors. eta vs tors. theta energy: -76.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1119.980606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.980606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.980606 (E_RNA)
where:
Base-Base interactions energy: -655.313
where: short stacking energy: -331.714
Base-Backbone interact. energy: -0.203
local terms energy: -464.465193
where:
bonds (distance) C4'-P energy: -117.068
bonds (distance) P-C4' energy: -99.705
flat angles C4'-P-C4' energy: -91.731
flat angles P-C4'-P energy: -86.343
tors. eta vs tors. theta energy: -69.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -853.298380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.298380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.298380 (E_RNA)
where:
Base-Base interactions energy: -473.402
where: short stacking energy: -229.561
Base-Backbone interact. energy: -2.009
local terms energy: -377.887548
where:
bonds (distance) C4'-P energy: -131.932
bonds (distance) P-C4' energy: -108.926
flat angles C4'-P-C4' energy: -79.435
flat angles P-C4'-P energy: -62.261
tors. eta vs tors. theta energy: 4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2530.266312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.266312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.266312 (E_RNA)
where:
Base-Base interactions energy: -1730.403
where: short stacking energy: -756.012
Base-Backbone interact. energy: -3.558
local terms energy: -796.306088
where:
bonds (distance) C4'-P energy: -140.369
bonds (distance) P-C4' energy: -151.470
flat angles C4'-P-C4' energy: -177.866
flat angles P-C4'-P energy: -111.753
tors. eta vs tors. theta energy: -214.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2447.124592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.124592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.124592 (E_RNA)
where:
Base-Base interactions energy: -1699.999
where: short stacking energy: -723.881
Base-Backbone interact. energy: 2.665
local terms energy: -749.790443
where:
bonds (distance) C4'-P energy: -140.577
bonds (distance) P-C4' energy: -142.864
flat angles C4'-P-C4' energy: -164.759
flat angles P-C4'-P energy: -96.921
tors. eta vs tors. theta energy: -204.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2301.624491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.624491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.624491 (E_RNA)
where:
Base-Base interactions energy: -1567.938
where: short stacking energy: -694.787
Base-Backbone interact. energy: -1.067
local terms energy: -732.619447
where:
bonds (distance) C4'-P energy: -110.735
bonds (distance) P-C4' energy: -155.390
flat angles C4'-P-C4' energy: -162.926
flat angles P-C4'-P energy: -113.182
tors. eta vs tors. theta energy: -190.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2100.365726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.365726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.365726 (E_RNA)
where:
Base-Base interactions energy: -1415.360
where: short stacking energy: -611.853
Base-Backbone interact. energy: 1.917
local terms energy: -686.922668
where:
bonds (distance) C4'-P energy: -133.320
bonds (distance) P-C4' energy: -144.784
flat angles C4'-P-C4' energy: -155.204
flat angles P-C4'-P energy: -92.492
tors. eta vs tors. theta energy: -161.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2132.590483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.590483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.590483 (E_RNA)
where:
Base-Base interactions energy: -1444.959
where: short stacking energy: -645.010
Base-Backbone interact. energy: 0.793
local terms energy: -688.424433
where:
bonds (distance) C4'-P energy: -119.070
bonds (distance) P-C4' energy: -137.772
flat angles C4'-P-C4' energy: -148.119
flat angles P-C4'-P energy: -92.173
tors. eta vs tors. theta energy: -191.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1805.954076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.954076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.954076 (E_RNA)
where:
Base-Base interactions energy: -1207.001
where: short stacking energy: -523.070
Base-Backbone interact. energy: -4.017
local terms energy: -594.936303
where:
bonds (distance) C4'-P energy: -112.093
bonds (distance) P-C4' energy: -120.712
flat angles C4'-P-C4' energy: -140.548
flat angles P-C4'-P energy: -93.949
tors. eta vs tors. theta energy: -127.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1555.212341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.212341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.212341 (E_RNA)
where:
Base-Base interactions energy: -1006.097
where: short stacking energy: -471.035
Base-Backbone interact. energy: -0.745
local terms energy: -548.369578
where:
bonds (distance) C4'-P energy: -115.722
bonds (distance) P-C4' energy: -122.085
flat angles C4'-P-C4' energy: -145.204
flat angles P-C4'-P energy: -72.425
tors. eta vs tors. theta energy: -92.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1420.347662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.347662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.347662 (E_RNA)
where:
Base-Base interactions energy: -895.447
where: short stacking energy: -395.479
Base-Backbone interact. energy: -1.575
local terms energy: -523.326192
where:
bonds (distance) C4'-P energy: -105.619
bonds (distance) P-C4' energy: -123.642
flat angles C4'-P-C4' energy: -127.511
flat angles P-C4'-P energy: -80.692
tors. eta vs tors. theta energy: -85.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1120.158143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.158143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.158143 (E_RNA)
where:
Base-Base interactions energy: -623.988
where: short stacking energy: -314.239
Base-Backbone interact. energy: -1.372
local terms energy: -494.798027
where:
bonds (distance) C4'-P energy: -118.387
bonds (distance) P-C4' energy: -132.390
flat angles C4'-P-C4' energy: -113.699
flat angles P-C4'-P energy: -78.423
tors. eta vs tors. theta energy: -51.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -866.559545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.559545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.559545 (E_RNA)
where:
Base-Base interactions energy: -478.207
where: short stacking energy: -254.859
Base-Backbone interact. energy: -0.879
local terms energy: -387.472803
where:
bonds (distance) C4'-P energy: -92.915
bonds (distance) P-C4' energy: -120.831
flat angles C4'-P-C4' energy: -103.326
flat angles P-C4'-P energy: -53.697
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2481.676391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.676391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.676391 (E_RNA)
where:
Base-Base interactions energy: -1704.471
where: short stacking energy: -731.865
Base-Backbone interact. energy: -4.500
local terms energy: -772.705388
where:
bonds (distance) C4'-P energy: -148.544
bonds (distance) P-C4' energy: -146.623
flat angles C4'-P-C4' energy: -168.002
flat angles P-C4'-P energy: -105.694
tors. eta vs tors. theta energy: -203.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2428.749861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.749861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.749861 (E_RNA)
where:
Base-Base interactions energy: -1680.426
where: short stacking energy: -718.902
Base-Backbone interact. energy: -4.593
local terms energy: -743.731610
where:
bonds (distance) C4'-P energy: -128.506
bonds (distance) P-C4' energy: -144.757
flat angles C4'-P-C4' energy: -162.431
flat angles P-C4'-P energy: -100.849
tors. eta vs tors. theta energy: -207.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2292.355574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.355574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.355574 (E_RNA)
where:
Base-Base interactions energy: -1581.155
where: short stacking energy: -681.128
Base-Backbone interact. energy: -2.479
local terms energy: -708.721508
where:
bonds (distance) C4'-P energy: -136.438
bonds (distance) P-C4' energy: -138.043
flat angles C4'-P-C4' energy: -145.304
flat angles P-C4'-P energy: -106.170
tors. eta vs tors. theta energy: -182.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2155.059836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.059836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.059836 (E_RNA)
where:
Base-Base interactions energy: -1436.214
where: short stacking energy: -635.745
Base-Backbone interact. energy: -0.869
local terms energy: -717.976155
where:
bonds (distance) C4'-P energy: -150.642
bonds (distance) P-C4' energy: -143.972
flat angles C4'-P-C4' energy: -153.109
flat angles P-C4'-P energy: -104.046
tors. eta vs tors. theta energy: -166.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2098.956120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.956120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.956120 (E_RNA)
where:
Base-Base interactions energy: -1433.051
where: short stacking energy: -635.037
Base-Backbone interact. energy: 0.387
local terms energy: -666.292711
where:
bonds (distance) C4'-P energy: -120.908
bonds (distance) P-C4' energy: -128.740
flat angles C4'-P-C4' energy: -145.781
flat angles P-C4'-P energy: -98.223
tors. eta vs tors. theta energy: -172.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1837.221409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.221409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.221409 (E_RNA)
where:
Base-Base interactions energy: -1210.998
where: short stacking energy: -540.356
Base-Backbone interact. energy: 1.163
local terms energy: -627.386408
where:
bonds (distance) C4'-P energy: -115.161
bonds (distance) P-C4' energy: -133.272
flat angles C4'-P-C4' energy: -136.716
flat angles P-C4'-P energy: -101.162
tors. eta vs tors. theta energy: -141.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1662.063288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.063288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.063288 (E_RNA)
where:
Base-Base interactions energy: -1061.558
where: short stacking energy: -492.863
Base-Backbone interact. energy: -1.944
local terms energy: -598.560768
where:
bonds (distance) C4'-P energy: -105.660
bonds (distance) P-C4' energy: -120.205
flat angles C4'-P-C4' energy: -144.548
flat angles P-C4'-P energy: -90.706
tors. eta vs tors. theta energy: -137.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1452.969919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.969919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.969919 (E_RNA)
where:
Base-Base interactions energy: -930.961
where: short stacking energy: -440.300
Base-Backbone interact. energy: -1.437
local terms energy: -520.571843
where:
bonds (distance) C4'-P energy: -97.270
bonds (distance) P-C4' energy: -115.293
flat angles C4'-P-C4' energy: -134.864
flat angles P-C4'-P energy: -76.867
tors. eta vs tors. theta energy: -96.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1094.234025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.234025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.234025 (E_RNA)
where:
Base-Base interactions energy: -644.333
where: short stacking energy: -323.933
Base-Backbone interact. energy: 3.641
local terms energy: -453.541437
where:
bonds (distance) C4'-P energy: -108.133
bonds (distance) P-C4' energy: -113.909
flat angles C4'-P-C4' energy: -115.601
flat angles P-C4'-P energy: -65.332
tors. eta vs tors. theta energy: -50.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -883.471095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.471095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.471095 (E_RNA)
where:
Base-Base interactions energy: -477.107
where: short stacking energy: -255.963
Base-Backbone interact. energy: 1.684
local terms energy: -408.048673
where:
bonds (distance) C4'-P energy: -109.860
bonds (distance) P-C4' energy: -126.557
flat angles C4'-P-C4' energy: -116.585
flat angles P-C4'-P energy: -43.268
tors. eta vs tors. theta energy: -11.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2485.866486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.866486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.866486 (E_RNA)
where:
Base-Base interactions energy: -1706.689
where: short stacking energy: -731.489
Base-Backbone interact. energy: -3.448
local terms energy: -775.729549
where:
bonds (distance) C4'-P energy: -144.115
bonds (distance) P-C4' energy: -145.336
flat angles C4'-P-C4' energy: -162.224
flat angles P-C4'-P energy: -114.868
tors. eta vs tors. theta energy: -209.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2414.251677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.251677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.251677 (E_RNA)
where:
Base-Base interactions energy: -1644.506
where: short stacking energy: -704.610
Base-Backbone interact. energy: -0.699
local terms energy: -769.047328
where:
bonds (distance) C4'-P energy: -145.283
bonds (distance) P-C4' energy: -154.219
flat angles C4'-P-C4' energy: -173.492
flat angles P-C4'-P energy: -98.874
tors. eta vs tors. theta energy: -197.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2286.083099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.083099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.083099 (E_RNA)
where:
Base-Base interactions energy: -1568.409
where: short stacking energy: -670.171
Base-Backbone interact. energy: -0.844
local terms energy: -716.829657
where:
bonds (distance) C4'-P energy: -146.770
bonds (distance) P-C4' energy: -142.313
flat angles C4'-P-C4' energy: -155.727
flat angles P-C4'-P energy: -103.482
tors. eta vs tors. theta energy: -168.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2114.753574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.753574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.753574 (E_RNA)
where:
Base-Base interactions energy: -1448.825
where: short stacking energy: -633.996
Base-Backbone interact. energy: -0.286
local terms energy: -665.642771
where:
bonds (distance) C4'-P energy: -134.865
bonds (distance) P-C4' energy: -134.072
flat angles C4'-P-C4' energy: -155.015
flat angles P-C4'-P energy: -79.871
tors. eta vs tors. theta energy: -161.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2104.714459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.714459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.714459 (E_RNA)
where:
Base-Base interactions energy: -1428.499
where: short stacking energy: -638.253
Base-Backbone interact. energy: -3.005
local terms energy: -673.209881
where:
bonds (distance) C4'-P energy: -129.635
bonds (distance) P-C4' energy: -116.265
flat angles C4'-P-C4' energy: -147.963
flat angles P-C4'-P energy: -99.241
tors. eta vs tors. theta energy: -180.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1812.130854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.130854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.130854 (E_RNA)
where:
Base-Base interactions energy: -1218.996
where: short stacking energy: -542.135
Base-Backbone interact. energy: 0.016
local terms energy: -593.151058
where:
bonds (distance) C4'-P energy: -118.521
bonds (distance) P-C4' energy: -119.914
flat angles C4'-P-C4' energy: -134.604
flat angles P-C4'-P energy: -75.952
tors. eta vs tors. theta energy: -144.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1620.104746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.104746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.104746 (E_RNA)
where:
Base-Base interactions energy: -1049.649
where: short stacking energy: -465.570
Base-Backbone interact. energy: -1.775
local terms energy: -568.681447
where:
bonds (distance) C4'-P energy: -133.034
bonds (distance) P-C4' energy: -123.496
flat angles C4'-P-C4' energy: -121.092
flat angles P-C4'-P energy: -79.877
tors. eta vs tors. theta energy: -111.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1451.660220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.660220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.660220 (E_RNA)
where:
Base-Base interactions energy: -887.521
where: short stacking energy: -421.737
Base-Backbone interact. energy: -4.970
local terms energy: -559.168943
where:
bonds (distance) C4'-P energy: -105.640
bonds (distance) P-C4' energy: -127.006
flat angles C4'-P-C4' energy: -144.619
flat angles P-C4'-P energy: -72.513
tors. eta vs tors. theta energy: -109.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1095.959095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.959095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.959095 (E_RNA)
where:
Base-Base interactions energy: -633.433
where: short stacking energy: -319.964
Base-Backbone interact. energy: 4.487
local terms energy: -467.013655
where:
bonds (distance) C4'-P energy: -108.697
bonds (distance) P-C4' energy: -127.957
flat angles C4'-P-C4' energy: -113.286
flat angles P-C4'-P energy: -54.913
tors. eta vs tors. theta energy: -62.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -858.684017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.684017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.684017 (E_RNA)
where:
Base-Base interactions energy: -488.280
where: short stacking energy: -253.358
Base-Backbone interact. energy: 0.155
local terms energy: -370.559295
where:
bonds (distance) C4'-P energy: -108.276
bonds (distance) P-C4' energy: -99.965
flat angles C4'-P-C4' energy: -104.238
flat angles P-C4'-P energy: -52.379
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2482.974043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.974043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.974043 (E_RNA)
where:
Base-Base interactions energy: -1723.155
where: short stacking energy: -745.533
Base-Backbone interact. energy: -1.131
local terms energy: -758.688436
where:
bonds (distance) C4'-P energy: -141.683
bonds (distance) P-C4' energy: -145.515
flat angles C4'-P-C4' energy: -161.927
flat angles P-C4'-P energy: -103.182
tors. eta vs tors. theta energy: -206.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2430.841756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.841756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.841756 (E_RNA)
where:
Base-Base interactions energy: -1696.420
where: short stacking energy: -728.463
Base-Backbone interact. energy: -3.059
local terms energy: -731.362438
where:
bonds (distance) C4'-P energy: -137.503
bonds (distance) P-C4' energy: -138.266
flat angles C4'-P-C4' energy: -158.731
flat angles P-C4'-P energy: -106.358
tors. eta vs tors. theta energy: -190.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2287.690042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.690042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.690042 (E_RNA)
where:
Base-Base interactions energy: -1567.503
where: short stacking energy: -697.224
Base-Backbone interact. energy: -1.146
local terms energy: -719.041403
where:
bonds (distance) C4'-P energy: -137.655
bonds (distance) P-C4' energy: -142.727
flat angles C4'-P-C4' energy: -153.569
flat angles P-C4'-P energy: -97.909
tors. eta vs tors. theta energy: -187.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2155.276572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.276572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.276572 (E_RNA)
where:
Base-Base interactions energy: -1468.619
where: short stacking energy: -646.467
Base-Backbone interact. energy: -1.096
local terms energy: -685.561455
where:
bonds (distance) C4'-P energy: -127.344
bonds (distance) P-C4' energy: -142.127
flat angles C4'-P-C4' energy: -151.801
flat angles P-C4'-P energy: -98.140
tors. eta vs tors. theta energy: -166.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2106.330914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.330914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.330914 (E_RNA)
where:
Base-Base interactions energy: -1463.665
where: short stacking energy: -631.729
Base-Backbone interact. energy: -3.408
local terms energy: -639.257626
where:
bonds (distance) C4'-P energy: -124.554
bonds (distance) P-C4' energy: -112.254
flat angles C4'-P-C4' energy: -145.192
flat angles P-C4'-P energy: -72.889
tors. eta vs tors. theta energy: -184.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1795.655207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.655207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.655207 (E_RNA)
where:
Base-Base interactions energy: -1182.109
where: short stacking energy: -502.248
Base-Backbone interact. energy: 1.002
local terms energy: -614.548173
where:
bonds (distance) C4'-P energy: -134.628
bonds (distance) P-C4' energy: -132.473
flat angles C4'-P-C4' energy: -136.166
flat angles P-C4'-P energy: -76.022
tors. eta vs tors. theta energy: -135.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1648.138963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.138963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.138963 (E_RNA)
where:
Base-Base interactions energy: -1057.312
where: short stacking energy: -504.815
Base-Backbone interact. energy: -0.137
local terms energy: -590.689608
where:
bonds (distance) C4'-P energy: -113.539
bonds (distance) P-C4' energy: -138.315
flat angles C4'-P-C4' energy: -134.928
flat angles P-C4'-P energy: -88.328
tors. eta vs tors. theta energy: -115.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1418.775913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.775913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.775913 (E_RNA)
where:
Base-Base interactions energy: -897.630
where: short stacking energy: -411.412
Base-Backbone interact. energy: -2.621
local terms energy: -518.524772
where:
bonds (distance) C4'-P energy: -125.378
bonds (distance) P-C4' energy: -110.919
flat angles C4'-P-C4' energy: -127.132
flat angles P-C4'-P energy: -67.010
tors. eta vs tors. theta energy: -88.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1102.231582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.231582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.231582 (E_RNA)
where:
Base-Base interactions energy: -647.268
where: short stacking energy: -310.253
Base-Backbone interact. energy: -1.650
local terms energy: -453.312842
where:
bonds (distance) C4'-P energy: -114.309
bonds (distance) P-C4' energy: -100.247
flat angles C4'-P-C4' energy: -128.560
flat angles P-C4'-P energy: -70.565
tors. eta vs tors. theta energy: -39.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -811.168295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.168295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.168295 (E_RNA)
where:
Base-Base interactions energy: -425.839
where: short stacking energy: -227.346
Base-Backbone interact. energy: -3.575
local terms energy: -381.754557
where:
bonds (distance) C4'-P energy: -114.551
bonds (distance) P-C4' energy: -100.326
flat angles C4'-P-C4' energy: -108.787
flat angles P-C4'-P energy: -70.817
tors. eta vs tors. theta energy: 12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2516.225154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.225154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.225154 (E_RNA)
where:
Base-Base interactions energy: -1725.644
where: short stacking energy: -743.805
Base-Backbone interact. energy: -4.312
local terms energy: -786.268890
where:
bonds (distance) C4'-P energy: -148.014
bonds (distance) P-C4' energy: -145.903
flat angles C4'-P-C4' energy: -178.347
flat angles P-C4'-P energy: -112.599
tors. eta vs tors. theta energy: -201.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2446.581254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.581254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.581254 (E_RNA)
where:
Base-Base interactions energy: -1710.572
where: short stacking energy: -725.965
Base-Backbone interact. energy: -0.843
local terms energy: -735.165855
where:
bonds (distance) C4'-P energy: -132.723
bonds (distance) P-C4' energy: -139.474
flat angles C4'-P-C4' energy: -150.680
flat angles P-C4'-P energy: -109.317
tors. eta vs tors. theta energy: -202.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2255.945612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.945612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.945612 (E_RNA)
where:
Base-Base interactions energy: -1538.741
where: short stacking energy: -675.929
Base-Backbone interact. energy: -4.278
local terms energy: -712.925900
where:
bonds (distance) C4'-P energy: -131.223
bonds (distance) P-C4' energy: -137.003
flat angles C4'-P-C4' energy: -159.357
flat angles P-C4'-P energy: -98.423
tors. eta vs tors. theta energy: -186.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2250.438218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.438218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.438218 (E_RNA)
where:
Base-Base interactions energy: -1524.636
where: short stacking energy: -675.577
Base-Backbone interact. energy: -4.595
local terms energy: -721.207352
where:
bonds (distance) C4'-P energy: -122.768
bonds (distance) P-C4' energy: -134.921
flat angles C4'-P-C4' energy: -153.729
flat angles P-C4'-P energy: -107.970
tors. eta vs tors. theta energy: -201.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2079.644114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.644114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.644114 (E_RNA)
where:
Base-Base interactions energy: -1375.759
where: short stacking energy: -606.727
Base-Backbone interact. energy: -0.925
local terms energy: -702.960212
where:
bonds (distance) C4'-P energy: -144.747
bonds (distance) P-C4' energy: -144.075
flat angles C4'-P-C4' energy: -153.754
flat angles P-C4'-P energy: -110.802
tors. eta vs tors. theta energy: -149.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1843.235140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.235140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.235140 (E_RNA)
where:
Base-Base interactions energy: -1233.821
where: short stacking energy: -543.934
Base-Backbone interact. energy: -3.899
local terms energy: -605.514498
where:
bonds (distance) C4'-P energy: -119.483
bonds (distance) P-C4' energy: -136.498
flat angles C4'-P-C4' energy: -126.142
flat angles P-C4'-P energy: -91.074
tors. eta vs tors. theta energy: -132.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1625.154116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.154116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.154116 (E_RNA)
where:
Base-Base interactions energy: -1084.870
where: short stacking energy: -490.209
Base-Backbone interact. energy: -1.579
local terms energy: -538.705126
where:
bonds (distance) C4'-P energy: -115.607
bonds (distance) P-C4' energy: -113.922
flat angles C4'-P-C4' energy: -128.764
flat angles P-C4'-P energy: -64.999
tors. eta vs tors. theta energy: -115.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1448.684948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.684948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.684948 (E_RNA)
where:
Base-Base interactions energy: -896.380
where: short stacking energy: -399.904
Base-Backbone interact. energy: -3.002
local terms energy: -549.302188
where:
bonds (distance) C4'-P energy: -123.452
bonds (distance) P-C4' energy: -127.231
flat angles C4'-P-C4' energy: -128.039
flat angles P-C4'-P energy: -86.861
tors. eta vs tors. theta energy: -83.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1078.090427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.090427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.090427 (E_RNA)
where:
Base-Base interactions energy: -664.887
where: short stacking energy: -345.371
Base-Backbone interact. energy: -2.392
local terms energy: -410.811186
where:
bonds (distance) C4'-P energy: -102.150
bonds (distance) P-C4' energy: -94.210
flat angles C4'-P-C4' energy: -117.052
flat angles P-C4'-P energy: -60.784
tors. eta vs tors. theta energy: -36.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -802.025630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.025630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.025630 (E_RNA)
where:
Base-Base interactions energy: -436.541
where: short stacking energy: -237.902
Base-Backbone interact. energy: -1.896
local terms energy: -363.588494
where:
bonds (distance) C4'-P energy: -101.071
bonds (distance) P-C4' energy: -110.032
flat angles C4'-P-C4' energy: -98.184
flat angles P-C4'-P energy: -72.884
tors. eta vs tors. theta energy: 18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2480.658894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.658894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.658894 (E_RNA)
where:
Base-Base interactions energy: -1716.394
where: short stacking energy: -727.725
Base-Backbone interact. energy: -1.389
local terms energy: -762.876430
where:
bonds (distance) C4'-P energy: -153.791
bonds (distance) P-C4' energy: -140.057
flat angles C4'-P-C4' energy: -160.266
flat angles P-C4'-P energy: -102.869
tors. eta vs tors. theta energy: -205.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2434.858472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.858472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.858472 (E_RNA)
where:
Base-Base interactions energy: -1707.422
where: short stacking energy: -703.333
Base-Backbone interact. energy: -2.511
local terms energy: -724.926098
where:
bonds (distance) C4'-P energy: -123.196
bonds (distance) P-C4' energy: -142.975
flat angles C4'-P-C4' energy: -150.753
flat angles P-C4'-P energy: -110.598
tors. eta vs tors. theta energy: -197.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2357.612345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.612345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.612345 (E_RNA)
where:
Base-Base interactions energy: -1584.923
where: short stacking energy: -714.819
Base-Backbone interact. energy: -1.488
local terms energy: -771.201421
where:
bonds (distance) C4'-P energy: -143.572
bonds (distance) P-C4' energy: -136.577
flat angles C4'-P-C4' energy: -170.089
flat angles P-C4'-P energy: -115.335
tors. eta vs tors. theta energy: -205.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2174.867208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.867208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.867208 (E_RNA)
where:
Base-Base interactions energy: -1525.119
where: short stacking energy: -669.941
Base-Backbone interact. energy: 4.789
local terms energy: -654.537519
where:
bonds (distance) C4'-P energy: -129.996
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -145.267
flat angles P-C4'-P energy: -101.725
tors. eta vs tors. theta energy: -165.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2037.901352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.901352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.901352 (E_RNA)
where:
Base-Base interactions energy: -1392.178
where: short stacking energy: -616.039
Base-Backbone interact. energy: 5.015
local terms energy: -650.737780
where:
bonds (distance) C4'-P energy: -114.321
bonds (distance) P-C4' energy: -128.326
flat angles C4'-P-C4' energy: -148.446
flat angles P-C4'-P energy: -101.637
tors. eta vs tors. theta energy: -158.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1917.126529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.126529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.126529 (E_RNA)
where:
Base-Base interactions energy: -1295.911
where: short stacking energy: -580.437
Base-Backbone interact. energy: -1.390
local terms energy: -619.825167
where:
bonds (distance) C4'-P energy: -114.923
bonds (distance) P-C4' energy: -110.673
flat angles C4'-P-C4' energy: -142.063
flat angles P-C4'-P energy: -100.718
tors. eta vs tors. theta energy: -151.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1640.427502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.427502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.427502 (E_RNA)
where:
Base-Base interactions energy: -1078.330
where: short stacking energy: -493.407
Base-Backbone interact. energy: -1.901
local terms energy: -560.195780
where:
bonds (distance) C4'-P energy: -115.000
bonds (distance) P-C4' energy: -121.787
flat angles C4'-P-C4' energy: -136.292
flat angles P-C4'-P energy: -70.907
tors. eta vs tors. theta energy: -116.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1518.204442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.204442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.204442 (E_RNA)
where:
Base-Base interactions energy: -990.808
where: short stacking energy: -448.483
Base-Backbone interact. energy: 3.372
local terms energy: -530.769245
where:
bonds (distance) C4'-P energy: -121.304
bonds (distance) P-C4' energy: -102.935
flat angles C4'-P-C4' energy: -125.334
flat angles P-C4'-P energy: -84.118
tors. eta vs tors. theta energy: -97.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1154.220188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.220188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.220188 (E_RNA)
where:
Base-Base interactions energy: -687.651
where: short stacking energy: -353.238
Base-Backbone interact. energy: 6.177
local terms energy: -472.745697
where:
bonds (distance) C4'-P energy: -114.197
bonds (distance) P-C4' energy: -104.113
flat angles C4'-P-C4' energy: -123.200
flat angles P-C4'-P energy: -62.864
tors. eta vs tors. theta energy: -68.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -810.765958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.765958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.765958 (E_RNA)
where:
Base-Base interactions energy: -417.113
where: short stacking energy: -212.404
Base-Backbone interact. energy: 3.027
local terms energy: -396.679946
where:
bonds (distance) C4'-P energy: -112.065
bonds (distance) P-C4' energy: -114.458
flat angles C4'-P-C4' energy: -118.534
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2492.669090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.669090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.669090 (E_RNA)
where:
Base-Base interactions energy: -1738.802
where: short stacking energy: -728.414
Base-Backbone interact. energy: -1.911
local terms energy: -751.956130
where:
bonds (distance) C4'-P energy: -128.115
bonds (distance) P-C4' energy: -152.688
flat angles C4'-P-C4' energy: -155.020
flat angles P-C4'-P energy: -113.871
tors. eta vs tors. theta energy: -202.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2387.953198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.953198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.953198 (E_RNA)
where:
Base-Base interactions energy: -1670.558
where: short stacking energy: -681.513
Base-Backbone interact. energy: -1.369
local terms energy: -716.025689
where:
bonds (distance) C4'-P energy: -127.468
bonds (distance) P-C4' energy: -151.706
flat angles C4'-P-C4' energy: -146.851
flat angles P-C4'-P energy: -99.146
tors. eta vs tors. theta energy: -190.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2298.977336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.977336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.977336 (E_RNA)
where:
Base-Base interactions energy: -1562.894
where: short stacking energy: -678.996
Base-Backbone interact. energy: -4.762
local terms energy: -731.321091
where:
bonds (distance) C4'-P energy: -145.733
bonds (distance) P-C4' energy: -138.179
flat angles C4'-P-C4' energy: -147.667
flat angles P-C4'-P energy: -107.597
tors. eta vs tors. theta energy: -192.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2175.278839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.278839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.278839 (E_RNA)
where:
Base-Base interactions energy: -1489.457
where: short stacking energy: -670.594
Base-Backbone interact. energy: -1.450
local terms energy: -684.371982
where:
bonds (distance) C4'-P energy: -134.207
bonds (distance) P-C4' energy: -138.097
flat angles C4'-P-C4' energy: -150.867
flat angles P-C4'-P energy: -88.356
tors. eta vs tors. theta energy: -172.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2052.368826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.368826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.368826 (E_RNA)
where:
Base-Base interactions energy: -1373.085
where: short stacking energy: -612.335
Base-Backbone interact. energy: -1.462
local terms energy: -677.821545
where:
bonds (distance) C4'-P energy: -131.364
bonds (distance) P-C4' energy: -141.961
flat angles C4'-P-C4' energy: -146.918
flat angles P-C4'-P energy: -89.752
tors. eta vs tors. theta energy: -167.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1874.234930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.234930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.234930 (E_RNA)
where:
Base-Base interactions energy: -1242.739
where: short stacking energy: -591.641
Base-Backbone interact. energy: -2.190
local terms energy: -629.305897
where:
bonds (distance) C4'-P energy: -131.324
bonds (distance) P-C4' energy: -126.644
flat angles C4'-P-C4' energy: -127.746
flat angles P-C4'-P energy: -78.854
tors. eta vs tors. theta energy: -164.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1692.662211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.662211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.662211 (E_RNA)
where:
Base-Base interactions energy: -1105.766
where: short stacking energy: -481.576
Base-Backbone interact. energy: -3.518
local terms energy: -583.378268
where:
bonds (distance) C4'-P energy: -130.565
bonds (distance) P-C4' energy: -118.810
flat angles C4'-P-C4' energy: -140.342
flat angles P-C4'-P energy: -81.218
tors. eta vs tors. theta energy: -112.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1540.708468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.708468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.708468 (E_RNA)
where:
Base-Base interactions energy: -982.806
where: short stacking energy: -464.046
Base-Backbone interact. energy: 0.643
local terms energy: -558.545934
where:
bonds (distance) C4'-P energy: -124.180
bonds (distance) P-C4' energy: -122.083
flat angles C4'-P-C4' energy: -136.517
flat angles P-C4'-P energy: -73.054
tors. eta vs tors. theta energy: -102.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1145.041204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.041204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.041204 (E_RNA)
where:
Base-Base interactions energy: -655.903
where: short stacking energy: -327.786
Base-Backbone interact. energy: 0.766
local terms energy: -489.903723
where:
bonds (distance) C4'-P energy: -120.418
bonds (distance) P-C4' energy: -102.868
flat angles C4'-P-C4' energy: -121.664
flat angles P-C4'-P energy: -91.956
tors. eta vs tors. theta energy: -52.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -822.802861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.802861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.802861 (E_RNA)
where:
Base-Base interactions energy: -392.240
where: short stacking energy: -237.527
Base-Backbone interact. energy: 5.459
local terms energy: -436.022035
where:
bonds (distance) C4'-P energy: -112.321
bonds (distance) P-C4' energy: -147.401
flat angles C4'-P-C4' energy: -117.253
flat angles P-C4'-P energy: -68.395
tors. eta vs tors. theta energy: 9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2494.125247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.125247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.125247 (E_RNA)
where:
Base-Base interactions energy: -1699.120
where: short stacking energy: -729.344
Base-Backbone interact. energy: -0.626
local terms energy: -794.379303
where:
bonds (distance) C4'-P energy: -149.853
bonds (distance) P-C4' energy: -165.392
flat angles C4'-P-C4' energy: -164.729
flat angles P-C4'-P energy: -122.330
tors. eta vs tors. theta energy: -192.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2407.394739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.394739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.394739 (E_RNA)
where:
Base-Base interactions energy: -1694.788
where: short stacking energy: -698.583
Base-Backbone interact. energy: 1.748
local terms energy: -714.354297
where:
bonds (distance) C4'-P energy: -133.710
bonds (distance) P-C4' energy: -125.047
flat angles C4'-P-C4' energy: -156.567
flat angles P-C4'-P energy: -108.943
tors. eta vs tors. theta energy: -190.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2297.281753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.281753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.281753 (E_RNA)
where:
Base-Base interactions energy: -1520.878
where: short stacking energy: -674.127
Base-Backbone interact. energy: -3.850
local terms energy: -772.553446
where:
bonds (distance) C4'-P energy: -149.410
bonds (distance) P-C4' energy: -135.381
flat angles C4'-P-C4' energy: -167.030
flat angles P-C4'-P energy: -117.329
tors. eta vs tors. theta energy: -203.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2168.136169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.136169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.136169 (E_RNA)
where:
Base-Base interactions energy: -1477.758
where: short stacking energy: -649.309
Base-Backbone interact. energy: 5.729
local terms energy: -696.107838
where:
bonds (distance) C4'-P energy: -135.513
bonds (distance) P-C4' energy: -131.097
flat angles C4'-P-C4' energy: -154.337
flat angles P-C4'-P energy: -98.868
tors. eta vs tors. theta energy: -176.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1995.985087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.985087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.985087 (E_RNA)
where:
Base-Base interactions energy: -1314.443
where: short stacking energy: -577.714
Base-Backbone interact. energy: 8.133
local terms energy: -689.674358
where:
bonds (distance) C4'-P energy: -143.522
bonds (distance) P-C4' energy: -131.630
flat angles C4'-P-C4' energy: -149.968
flat angles P-C4'-P energy: -102.559
tors. eta vs tors. theta energy: -161.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1881.707124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.707124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.707124 (E_RNA)
where:
Base-Base interactions energy: -1246.651
where: short stacking energy: -578.007
Base-Backbone interact. energy: -1.733
local terms energy: -633.322597
where:
bonds (distance) C4'-P energy: -128.618
bonds (distance) P-C4' energy: -121.180
flat angles C4'-P-C4' energy: -131.985
flat angles P-C4'-P energy: -95.707
tors. eta vs tors. theta energy: -155.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1664.694059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.694059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.694059 (E_RNA)
where:
Base-Base interactions energy: -1073.173
where: short stacking energy: -479.596
Base-Backbone interact. energy: -3.819
local terms energy: -587.701154
where:
bonds (distance) C4'-P energy: -121.157
bonds (distance) P-C4' energy: -138.137
flat angles C4'-P-C4' energy: -138.616
flat angles P-C4'-P energy: -77.847
tors. eta vs tors. theta energy: -111.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1520.208718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.208718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.208718 (E_RNA)
where:
Base-Base interactions energy: -976.787
where: short stacking energy: -449.677
Base-Backbone interact. energy: 0.864
local terms energy: -544.286294
where:
bonds (distance) C4'-P energy: -129.290
bonds (distance) P-C4' energy: -127.516
flat angles C4'-P-C4' energy: -121.670
flat angles P-C4'-P energy: -81.830
tors. eta vs tors. theta energy: -83.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1170.641129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.641129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.641129 (E_RNA)
where:
Base-Base interactions energy: -694.081
where: short stacking energy: -316.024
Base-Backbone interact. energy: -2.697
local terms energy: -473.862696
where:
bonds (distance) C4'-P energy: -124.050
bonds (distance) P-C4' energy: -120.394
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -65.736
tors. eta vs tors. theta energy: -53.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -841.953720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.953720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.953720 (E_RNA)
where:
Base-Base interactions energy: -408.219
where: short stacking energy: -244.919
Base-Backbone interact. energy: 3.193
local terms energy: -436.927090
where:
bonds (distance) C4'-P energy: -128.064
bonds (distance) P-C4' energy: -120.680
flat angles C4'-P-C4' energy: -113.285
flat angles P-C4'-P energy: -51.078
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2502.944900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.944900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.944900 (E_RNA)
where:
Base-Base interactions energy: -1717.127
where: short stacking energy: -758.410
Base-Backbone interact. energy: -5.388
local terms energy: -780.429844
where:
bonds (distance) C4'-P energy: -149.762
bonds (distance) P-C4' energy: -134.609
flat angles C4'-P-C4' energy: -167.472
flat angles P-C4'-P energy: -118.851
tors. eta vs tors. theta energy: -209.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2442.240677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.240677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.240677 (E_RNA)
where:
Base-Base interactions energy: -1712.141
where: short stacking energy: -706.315
Base-Backbone interact. energy: -2.450
local terms energy: -727.649321
where:
bonds (distance) C4'-P energy: -136.920
bonds (distance) P-C4' energy: -149.829
flat angles C4'-P-C4' energy: -148.569
flat angles P-C4'-P energy: -90.529
tors. eta vs tors. theta energy: -201.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2349.468060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.468060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.468060 (E_RNA)
where:
Base-Base interactions energy: -1597.495
where: short stacking energy: -716.276
Base-Backbone interact. energy: -3.085
local terms energy: -748.887919
where:
bonds (distance) C4'-P energy: -141.878
bonds (distance) P-C4' energy: -138.390
flat angles C4'-P-C4' energy: -155.881
flat angles P-C4'-P energy: -101.442
tors. eta vs tors. theta energy: -211.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2214.382453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.382453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.382453 (E_RNA)
where:
Base-Base interactions energy: -1509.517
where: short stacking energy: -653.123
Base-Backbone interact. energy: -1.094
local terms energy: -703.770958
where:
bonds (distance) C4'-P energy: -130.729
bonds (distance) P-C4' energy: -145.237
flat angles C4'-P-C4' energy: -158.847
flat angles P-C4'-P energy: -88.333
tors. eta vs tors. theta energy: -180.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2004.210116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.210116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.210116 (E_RNA)
where:
Base-Base interactions energy: -1328.605
where: short stacking energy: -590.924
Base-Backbone interact. energy: -1.103
local terms energy: -674.502443
where:
bonds (distance) C4'-P energy: -133.017
bonds (distance) P-C4' energy: -144.376
flat angles C4'-P-C4' energy: -147.323
flat angles P-C4'-P energy: -86.067
tors. eta vs tors. theta energy: -163.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1892.479730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.479730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.479730 (E_RNA)
where:
Base-Base interactions energy: -1233.857
where: short stacking energy: -559.336
Base-Backbone interact. energy: -1.679
local terms energy: -656.943551
where:
bonds (distance) C4'-P energy: -134.703
bonds (distance) P-C4' energy: -139.534
flat angles C4'-P-C4' energy: -139.678
flat angles P-C4'-P energy: -90.866
tors. eta vs tors. theta energy: -152.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1691.125125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.125125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.125125 (E_RNA)
where:
Base-Base interactions energy: -1104.865
where: short stacking energy: -487.751
Base-Backbone interact. energy: 0.750
local terms energy: -587.010298
where:
bonds (distance) C4'-P energy: -140.953
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -129.811
flat angles P-C4'-P energy: -71.498
tors. eta vs tors. theta energy: -111.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1489.122041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.122041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.122041 (E_RNA)
where:
Base-Base interactions energy: -935.698
where: short stacking energy: -388.150
Base-Backbone interact. energy: 1.891
local terms energy: -555.315010
where:
bonds (distance) C4'-P energy: -120.750
bonds (distance) P-C4' energy: -124.441
flat angles C4'-P-C4' energy: -113.397
flat angles P-C4'-P energy: -90.541
tors. eta vs tors. theta energy: -106.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1201.607470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.607470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.607470 (E_RNA)
where:
Base-Base interactions energy: -710.250
where: short stacking energy: -337.637
Base-Backbone interact. energy: -0.889
local terms energy: -490.467503
where:
bonds (distance) C4'-P energy: -119.992
bonds (distance) P-C4' energy: -115.597
flat angles C4'-P-C4' energy: -104.510
flat angles P-C4'-P energy: -85.235
tors. eta vs tors. theta energy: -65.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -821.018454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.018454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.018454 (E_RNA)
where:
Base-Base interactions energy: -423.741
where: short stacking energy: -231.320
Base-Backbone interact. energy: 3.501
local terms energy: -400.778469
where:
bonds (distance) C4'-P energy: -119.038
bonds (distance) P-C4' energy: -117.542
flat angles C4'-P-C4' energy: -94.806
flat angles P-C4'-P energy: -68.818
tors. eta vs tors. theta energy: -0.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2500.685887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.685887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.685887 (E_RNA)
where:
Base-Base interactions energy: -1711.251
where: short stacking energy: -767.244
Base-Backbone interact. energy: -3.414
local terms energy: -786.020730
where:
bonds (distance) C4'-P energy: -156.715
bonds (distance) P-C4' energy: -148.257
flat angles C4'-P-C4' energy: -161.239
flat angles P-C4'-P energy: -118.540
tors. eta vs tors. theta energy: -201.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2445.430412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.430412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.430412 (E_RNA)
where:
Base-Base interactions energy: -1681.921
where: short stacking energy: -696.255
Base-Backbone interact. energy: -1.895
local terms energy: -761.614307
where:
bonds (distance) C4'-P energy: -139.737
bonds (distance) P-C4' energy: -154.355
flat angles C4'-P-C4' energy: -163.878
flat angles P-C4'-P energy: -118.584
tors. eta vs tors. theta energy: -185.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2304.965789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.965789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.965789 (E_RNA)
where:
Base-Base interactions energy: -1558.274
where: short stacking energy: -691.079
Base-Backbone interact. energy: -2.555
local terms energy: -744.136856
where:
bonds (distance) C4'-P energy: -138.805
bonds (distance) P-C4' energy: -147.658
flat angles C4'-P-C4' energy: -143.435
flat angles P-C4'-P energy: -112.298
tors. eta vs tors. theta energy: -201.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2208.488170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.488170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.488170 (E_RNA)
where:
Base-Base interactions energy: -1508.128
where: short stacking energy: -658.572
Base-Backbone interact. energy: -4.422
local terms energy: -695.938261
where:
bonds (distance) C4'-P energy: -135.910
bonds (distance) P-C4' energy: -136.053
flat angles C4'-P-C4' energy: -155.349
flat angles P-C4'-P energy: -101.639
tors. eta vs tors. theta energy: -166.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1996.296832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.296832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.296832 (E_RNA)
where:
Base-Base interactions energy: -1314.489
where: short stacking energy: -589.482
Base-Backbone interact. energy: -1.150
local terms energy: -680.658366
where:
bonds (distance) C4'-P energy: -137.234
bonds (distance) P-C4' energy: -147.824
flat angles C4'-P-C4' energy: -133.846
flat angles P-C4'-P energy: -89.320
tors. eta vs tors. theta energy: -172.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1868.148805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.148805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.148805 (E_RNA)
where:
Base-Base interactions energy: -1226.541
where: short stacking energy: -537.425
Base-Backbone interact. energy: -0.115
local terms energy: -641.493470
where:
bonds (distance) C4'-P energy: -142.309
bonds (distance) P-C4' energy: -110.582
flat angles C4'-P-C4' energy: -135.508
flat angles P-C4'-P energy: -91.213
tors. eta vs tors. theta energy: -161.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1741.563082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.563082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.563082 (E_RNA)
where:
Base-Base interactions energy: -1147.834
where: short stacking energy: -508.082
Base-Backbone interact. energy: -2.236
local terms energy: -591.492560
where:
bonds (distance) C4'-P energy: -123.401
bonds (distance) P-C4' energy: -129.249
flat angles C4'-P-C4' energy: -133.383
flat angles P-C4'-P energy: -83.179
tors. eta vs tors. theta energy: -122.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1594.997673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.997673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.997673 (E_RNA)
where:
Base-Base interactions energy: -1040.302
where: short stacking energy: -430.733
Base-Backbone interact. energy: -3.317
local terms energy: -551.379319
where:
bonds (distance) C4'-P energy: -117.547
bonds (distance) P-C4' energy: -125.231
flat angles C4'-P-C4' energy: -122.882
flat angles P-C4'-P energy: -83.994
tors. eta vs tors. theta energy: -101.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1229.609118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.609118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.609118 (E_RNA)
where:
Base-Base interactions energy: -720.888
where: short stacking energy: -354.140
Base-Backbone interact. energy: -1.641
local terms energy: -507.079999
where:
bonds (distance) C4'-P energy: -105.967
bonds (distance) P-C4' energy: -124.125
flat angles C4'-P-C4' energy: -127.523
flat angles P-C4'-P energy: -63.172
tors. eta vs tors. theta energy: -86.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -781.830336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.830336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.830336 (E_RNA)
where:
Base-Base interactions energy: -387.747
where: short stacking energy: -231.527
Base-Backbone interact. energy: 6.522
local terms energy: -400.605567
where:
bonds (distance) C4'-P energy: -106.378
bonds (distance) P-C4' energy: -105.683
flat angles C4'-P-C4' energy: -119.520
flat angles P-C4'-P energy: -64.689
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2513.219627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.219627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.219627 (E_RNA)
where:
Base-Base interactions energy: -1727.911
where: short stacking energy: -754.636
Base-Backbone interact. energy: -4.149
local terms energy: -781.159891
where:
bonds (distance) C4'-P energy: -134.407
bonds (distance) P-C4' energy: -163.405
flat angles C4'-P-C4' energy: -173.724
flat angles P-C4'-P energy: -111.032
tors. eta vs tors. theta energy: -198.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2419.471895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.471895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.471895 (E_RNA)
where:
Base-Base interactions energy: -1697.700
where: short stacking energy: -690.129
Base-Backbone interact. energy: -6.106
local terms energy: -715.666041
where:
bonds (distance) C4'-P energy: -128.329
bonds (distance) P-C4' energy: -143.867
flat angles C4'-P-C4' energy: -148.509
flat angles P-C4'-P energy: -102.744
tors. eta vs tors. theta energy: -192.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2289.857821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.857821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.857821 (E_RNA)
where:
Base-Base interactions energy: -1574.102
where: short stacking energy: -691.742
Base-Backbone interact. energy: -1.301
local terms energy: -714.454053
where:
bonds (distance) C4'-P energy: -131.412
bonds (distance) P-C4' energy: -141.877
flat angles C4'-P-C4' energy: -150.977
flat angles P-C4'-P energy: -88.200
tors. eta vs tors. theta energy: -201.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2160.866296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.866296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.866296 (E_RNA)
where:
Base-Base interactions energy: -1471.635
where: short stacking energy: -634.604
Base-Backbone interact. energy: -0.135
local terms energy: -689.095894
where:
bonds (distance) C4'-P energy: -125.373
bonds (distance) P-C4' energy: -141.418
flat angles C4'-P-C4' energy: -148.865
flat angles P-C4'-P energy: -100.263
tors. eta vs tors. theta energy: -173.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2032.048578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.048578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.048578 (E_RNA)
where:
Base-Base interactions energy: -1354.922
where: short stacking energy: -622.791
Base-Backbone interact. energy: -0.766
local terms energy: -676.360580
where:
bonds (distance) C4'-P energy: -138.908
bonds (distance) P-C4' energy: -127.824
flat angles C4'-P-C4' energy: -148.025
flat angles P-C4'-P energy: -98.464
tors. eta vs tors. theta energy: -163.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1895.187728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.187728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.187728 (E_RNA)
where:
Base-Base interactions energy: -1273.689
where: short stacking energy: -535.318
Base-Backbone interact. energy: -2.974
local terms energy: -618.525655
where:
bonds (distance) C4'-P energy: -111.291
bonds (distance) P-C4' energy: -130.072
flat angles C4'-P-C4' energy: -125.124
flat angles P-C4'-P energy: -91.456
tors. eta vs tors. theta energy: -160.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1773.550938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.550938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.550938 (E_RNA)
where:
Base-Base interactions energy: -1195.006
where: short stacking energy: -509.120
Base-Backbone interact. energy: -4.927
local terms energy: -573.617685
where:
bonds (distance) C4'-P energy: -133.807
bonds (distance) P-C4' energy: -119.001
flat angles C4'-P-C4' energy: -133.724
flat angles P-C4'-P energy: -62.204
tors. eta vs tors. theta energy: -124.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1537.440453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.440453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.440453 (E_RNA)
where:
Base-Base interactions energy: -990.014
where: short stacking energy: -434.945
Base-Backbone interact. energy: -2.713
local terms energy: -544.714249
where:
bonds (distance) C4'-P energy: -107.525
bonds (distance) P-C4' energy: -128.315
flat angles C4'-P-C4' energy: -135.337
flat angles P-C4'-P energy: -87.004
tors. eta vs tors. theta energy: -86.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1153.174667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.174667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.174667 (E_RNA)
where:
Base-Base interactions energy: -668.444
where: short stacking energy: -328.630
Base-Backbone interact. energy: -3.473
local terms energy: -481.257830
where:
bonds (distance) C4'-P energy: -110.513
bonds (distance) P-C4' energy: -117.276
flat angles C4'-P-C4' energy: -109.610
flat angles P-C4'-P energy: -70.311
tors. eta vs tors. theta energy: -73.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -746.440205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.440205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.440205 (E_RNA)
where:
Base-Base interactions energy: -372.686
where: short stacking energy: -226.628
Base-Backbone interact. energy: -1.621
local terms energy: -372.133226
where:
bonds (distance) C4'-P energy: -117.805
bonds (distance) P-C4' energy: -112.948
flat angles C4'-P-C4' energy: -111.192
flat angles P-C4'-P energy: -53.796
tors. eta vs tors. theta energy: 23.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2515.495762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.495762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.495762 (E_RNA)
where:
Base-Base interactions energy: -1732.212
where: short stacking energy: -757.660
Base-Backbone interact. energy: -2.898
local terms energy: -780.385295
where:
bonds (distance) C4'-P energy: -148.959
bonds (distance) P-C4' energy: -147.913
flat angles C4'-P-C4' energy: -175.633
flat angles P-C4'-P energy: -102.192
tors. eta vs tors. theta energy: -205.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2410.765972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.765972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.765972 (E_RNA)
where:
Base-Base interactions energy: -1684.823
where: short stacking energy: -725.203
Base-Backbone interact. energy: -3.875
local terms energy: -722.067790
where:
bonds (distance) C4'-P energy: -135.961
bonds (distance) P-C4' energy: -143.778
flat angles C4'-P-C4' energy: -155.263
flat angles P-C4'-P energy: -79.404
tors. eta vs tors. theta energy: -207.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2310.807802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.807802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.807802 (E_RNA)
where:
Base-Base interactions energy: -1551.853
where: short stacking energy: -695.316
Base-Backbone interact. energy: -2.111
local terms energy: -756.844166
where:
bonds (distance) C4'-P energy: -132.907
bonds (distance) P-C4' energy: -144.764
flat angles C4'-P-C4' energy: -162.775
flat angles P-C4'-P energy: -109.455
tors. eta vs tors. theta energy: -206.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2145.371686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.371686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.371686 (E_RNA)
where:
Base-Base interactions energy: -1442.025
where: short stacking energy: -639.903
Base-Backbone interact. energy: -1.757
local terms energy: -701.589143
where:
bonds (distance) C4'-P energy: -126.237
bonds (distance) P-C4' energy: -149.234
flat angles C4'-P-C4' energy: -157.499
flat angles P-C4'-P energy: -104.115
tors. eta vs tors. theta energy: -164.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2014.156316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.156316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.156316 (E_RNA)
where:
Base-Base interactions energy: -1314.612
where: short stacking energy: -573.080
Base-Backbone interact. energy: -2.989
local terms energy: -696.554752
where:
bonds (distance) C4'-P energy: -143.584
bonds (distance) P-C4' energy: -132.527
flat angles C4'-P-C4' energy: -148.618
flat angles P-C4'-P energy: -113.943
tors. eta vs tors. theta energy: -157.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1920.221981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.221981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.221981 (E_RNA)
where:
Base-Base interactions energy: -1270.762
where: short stacking energy: -546.559
Base-Backbone interact. energy: -4.736
local terms energy: -644.723826
where:
bonds (distance) C4'-P energy: -134.692
bonds (distance) P-C4' energy: -110.176
flat angles C4'-P-C4' energy: -142.273
flat angles P-C4'-P energy: -99.688
tors. eta vs tors. theta energy: -157.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1795.049779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.049779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.049779 (E_RNA)
where:
Base-Base interactions energy: -1179.093
where: short stacking energy: -505.451
Base-Backbone interact. energy: -0.747
local terms energy: -615.210207
where:
bonds (distance) C4'-P energy: -119.955
bonds (distance) P-C4' energy: -145.958
flat angles C4'-P-C4' energy: -122.538
flat angles P-C4'-P energy: -91.151
tors. eta vs tors. theta energy: -135.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1553.906706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.906706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.906706 (E_RNA)
where:
Base-Base interactions energy: -969.262
where: short stacking energy: -455.195
Base-Backbone interact. energy: 3.029
local terms energy: -587.673047
where:
bonds (distance) C4'-P energy: -123.513
bonds (distance) P-C4' energy: -130.353
flat angles C4'-P-C4' energy: -128.556
flat angles P-C4'-P energy: -87.077
tors. eta vs tors. theta energy: -118.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1196.099865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.099865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.099865 (E_RNA)
where:
Base-Base interactions energy: -723.884
where: short stacking energy: -364.510
Base-Backbone interact. energy: 1.339
local terms energy: -473.554471
where:
bonds (distance) C4'-P energy: -102.910
bonds (distance) P-C4' energy: -143.216
flat angles C4'-P-C4' energy: -115.136
flat angles P-C4'-P energy: -65.530
tors. eta vs tors. theta energy: -46.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -800.330233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.330233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.330233 (E_RNA)
where:
Base-Base interactions energy: -435.422
where: short stacking energy: -208.190
Base-Backbone interact. energy: -0.006
local terms energy: -364.901762
where:
bonds (distance) C4'-P energy: -98.863
bonds (distance) P-C4' energy: -126.991
flat angles C4'-P-C4' energy: -100.546
flat angles P-C4'-P energy: -52.057
tors. eta vs tors. theta energy: 13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2526.893722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.893722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.893722 (E_RNA)
where:
Base-Base interactions energy: -1746.310
where: short stacking energy: -739.753
Base-Backbone interact. energy: -2.863
local terms energy: -777.720960
where:
bonds (distance) C4'-P energy: -148.380
bonds (distance) P-C4' energy: -144.383
flat angles C4'-P-C4' energy: -168.964
flat angles P-C4'-P energy: -110.179
tors. eta vs tors. theta energy: -205.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2439.813043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.813043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.813043 (E_RNA)
where:
Base-Base interactions energy: -1697.058
where: short stacking energy: -712.338
Base-Backbone interact. energy: -2.821
local terms energy: -739.934168
where:
bonds (distance) C4'-P energy: -118.367
bonds (distance) P-C4' energy: -145.249
flat angles C4'-P-C4' energy: -160.262
flat angles P-C4'-P energy: -106.519
tors. eta vs tors. theta energy: -209.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2304.690400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.690400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.690400 (E_RNA)
where:
Base-Base interactions energy: -1574.239
where: short stacking energy: -706.140
Base-Backbone interact. energy: -3.956
local terms energy: -726.496060
where:
bonds (distance) C4'-P energy: -129.258
bonds (distance) P-C4' energy: -135.778
flat angles C4'-P-C4' energy: -160.006
flat angles P-C4'-P energy: -95.330
tors. eta vs tors. theta energy: -206.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2188.613346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.613346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.613346 (E_RNA)
where:
Base-Base interactions energy: -1463.872
where: short stacking energy: -627.968
Base-Backbone interact. energy: -0.768
local terms energy: -723.973281
where:
bonds (distance) C4'-P energy: -156.610
bonds (distance) P-C4' energy: -140.041
flat angles C4'-P-C4' energy: -150.121
flat angles P-C4'-P energy: -98.696
tors. eta vs tors. theta energy: -178.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2040.872592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.872592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.872592 (E_RNA)
where:
Base-Base interactions energy: -1352.415
where: short stacking energy: -622.497
Base-Backbone interact. energy: -5.523
local terms energy: -682.935159
where:
bonds (distance) C4'-P energy: -142.689
bonds (distance) P-C4' energy: -135.498
flat angles C4'-P-C4' energy: -149.335
flat angles P-C4'-P energy: -91.956
tors. eta vs tors. theta energy: -163.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1918.571358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.571358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.571358 (E_RNA)
where:
Base-Base interactions energy: -1308.747
where: short stacking energy: -566.755
Base-Backbone interact. energy: -0.537
local terms energy: -609.287801
where:
bonds (distance) C4'-P energy: -106.958
bonds (distance) P-C4' energy: -133.182
flat angles C4'-P-C4' energy: -139.416
flat angles P-C4'-P energy: -92.549
tors. eta vs tors. theta energy: -137.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1843.482430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.482430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.482430 (E_RNA)
where:
Base-Base interactions energy: -1236.151
where: short stacking energy: -500.121
Base-Backbone interact. energy: -0.545
local terms energy: -606.786064
where:
bonds (distance) C4'-P energy: -123.074
bonds (distance) P-C4' energy: -127.645
flat angles C4'-P-C4' energy: -137.065
flat angles P-C4'-P energy: -84.966
tors. eta vs tors. theta energy: -134.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1523.663018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.663018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.663018 (E_RNA)
where:
Base-Base interactions energy: -1014.749
where: short stacking energy: -413.250
Base-Backbone interact. energy: 1.795
local terms energy: -510.709384
where:
bonds (distance) C4'-P energy: -117.665
bonds (distance) P-C4' energy: -113.268
flat angles C4'-P-C4' energy: -127.391
flat angles P-C4'-P energy: -68.431
tors. eta vs tors. theta energy: -83.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1189.404887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.404887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.404887 (E_RNA)
where:
Base-Base interactions energy: -711.867
where: short stacking energy: -317.906
Base-Backbone interact. energy: 2.417
local terms energy: -479.954352
where:
bonds (distance) C4'-P energy: -116.276
bonds (distance) P-C4' energy: -126.251
flat angles C4'-P-C4' energy: -137.014
flat angles P-C4'-P energy: -75.290
tors. eta vs tors. theta energy: -25.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -849.112183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.112183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.112183 (E_RNA)
where:
Base-Base interactions energy: -416.448
where: short stacking energy: -231.814
Base-Backbone interact. energy: -1.355
local terms energy: -431.309494
where:
bonds (distance) C4'-P energy: -125.297
bonds (distance) P-C4' energy: -128.524
flat angles C4'-P-C4' energy: -110.149
flat angles P-C4'-P energy: -53.410
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2511.249037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.249037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.249037 (E_RNA)
where:
Base-Base interactions energy: -1742.509
where: short stacking energy: -753.114
Base-Backbone interact. energy: -3.222
local terms energy: -765.517717
where:
bonds (distance) C4'-P energy: -137.866
bonds (distance) P-C4' energy: -135.448
flat angles C4'-P-C4' energy: -175.366
flat angles P-C4'-P energy: -117.170
tors. eta vs tors. theta energy: -199.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2441.684833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.684833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.684833 (E_RNA)
where:
Base-Base interactions energy: -1689.912
where: short stacking energy: -693.893
Base-Backbone interact. energy: 0.073
local terms energy: -751.845916
where:
bonds (distance) C4'-P energy: -132.225
bonds (distance) P-C4' energy: -151.449
flat angles C4'-P-C4' energy: -162.851
flat angles P-C4'-P energy: -116.245
tors. eta vs tors. theta energy: -189.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2355.198080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.198080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.198080 (E_RNA)
where:
Base-Base interactions energy: -1595.036
where: short stacking energy: -693.871
Base-Backbone interact. energy: -2.748
local terms energy: -757.414489
where:
bonds (distance) C4'-P energy: -124.608
bonds (distance) P-C4' energy: -134.370
flat angles C4'-P-C4' energy: -170.858
flat angles P-C4'-P energy: -120.073
tors. eta vs tors. theta energy: -207.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2158.665877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.665877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.665877 (E_RNA)
where:
Base-Base interactions energy: -1429.429
where: short stacking energy: -621.076
Base-Backbone interact. energy: -2.676
local terms energy: -726.560996
where:
bonds (distance) C4'-P energy: -139.618
bonds (distance) P-C4' energy: -137.741
flat angles C4'-P-C4' energy: -160.335
flat angles P-C4'-P energy: -112.383
tors. eta vs tors. theta energy: -176.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2062.925650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.925650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.925650 (E_RNA)
where:
Base-Base interactions energy: -1403.653
where: short stacking energy: -624.425
Base-Backbone interact. energy: -2.567
local terms energy: -656.705670
where:
bonds (distance) C4'-P energy: -133.619
bonds (distance) P-C4' energy: -123.965
flat angles C4'-P-C4' energy: -138.743
flat angles P-C4'-P energy: -93.738
tors. eta vs tors. theta energy: -166.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1854.126038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.126038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.126038 (E_RNA)
where:
Base-Base interactions energy: -1223.279
where: short stacking energy: -516.759
Base-Backbone interact. energy: -2.264
local terms energy: -628.582957
where:
bonds (distance) C4'-P energy: -129.010
bonds (distance) P-C4' energy: -133.530
flat angles C4'-P-C4' energy: -144.812
flat angles P-C4'-P energy: -91.055
tors. eta vs tors. theta energy: -130.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1758.646232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.646232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.646232 (E_RNA)
where:
Base-Base interactions energy: -1166.215
where: short stacking energy: -510.838
Base-Backbone interact. energy: 1.307
local terms energy: -593.738458
where:
bonds (distance) C4'-P energy: -130.188
bonds (distance) P-C4' energy: -133.097
flat angles C4'-P-C4' energy: -134.513
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -116.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1546.359305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.359305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.359305 (E_RNA)
where:
Base-Base interactions energy: -976.298
where: short stacking energy: -415.919
Base-Backbone interact. energy: -0.523
local terms energy: -569.537981
where:
bonds (distance) C4'-P energy: -131.879
bonds (distance) P-C4' energy: -140.381
flat angles C4'-P-C4' energy: -120.540
flat angles P-C4'-P energy: -78.621
tors. eta vs tors. theta energy: -98.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1189.912370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.912370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.912370 (E_RNA)
where:
Base-Base interactions energy: -730.880
where: short stacking energy: -361.000
Base-Backbone interact. energy: 1.464
local terms energy: -460.496157
where:
bonds (distance) C4'-P energy: -130.317
bonds (distance) P-C4' energy: -115.148
flat angles C4'-P-C4' energy: -123.101
flat angles P-C4'-P energy: -64.780
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -828.768358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.768358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.768358 (E_RNA)
where:
Base-Base interactions energy: -438.966
where: short stacking energy: -221.867
Base-Backbone interact. energy: -3.505
local terms energy: -386.296898
where:
bonds (distance) C4'-P energy: -106.593
bonds (distance) P-C4' energy: -131.585
flat angles C4'-P-C4' energy: -89.368
flat angles P-C4'-P energy: -68.834
tors. eta vs tors. theta energy: 10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2485.997928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.997928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.997928 (E_RNA)
where:
Base-Base interactions energy: -1693.826
where: short stacking energy: -716.174
Base-Backbone interact. energy: -3.407
local terms energy: -788.764858
where:
bonds (distance) C4'-P energy: -149.988
bonds (distance) P-C4' energy: -152.644
flat angles C4'-P-C4' energy: -160.456
flat angles P-C4'-P energy: -121.878
tors. eta vs tors. theta energy: -203.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2443.599390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.599390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.599390 (E_RNA)
where:
Base-Base interactions energy: -1735.132
where: short stacking energy: -699.612
Base-Backbone interact. energy: -3.524
local terms energy: -704.943327
where:
bonds (distance) C4'-P energy: -135.293
bonds (distance) P-C4' energy: -129.480
flat angles C4'-P-C4' energy: -153.467
flat angles P-C4'-P energy: -101.261
tors. eta vs tors. theta energy: -185.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2374.514945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.514945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.514945 (E_RNA)
where:
Base-Base interactions energy: -1617.897
where: short stacking energy: -707.676
Base-Backbone interact. energy: -4.482
local terms energy: -752.136646
where:
bonds (distance) C4'-P energy: -140.787
bonds (distance) P-C4' energy: -144.381
flat angles C4'-P-C4' energy: -154.327
flat angles P-C4'-P energy: -105.532
tors. eta vs tors. theta energy: -207.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2156.234175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.234175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.234175 (E_RNA)
where:
Base-Base interactions energy: -1456.907
where: short stacking energy: -650.022
Base-Backbone interact. energy: 2.390
local terms energy: -701.716746
where:
bonds (distance) C4'-P energy: -141.767
bonds (distance) P-C4' energy: -130.341
flat angles C4'-P-C4' energy: -157.162
flat angles P-C4'-P energy: -97.118
tors. eta vs tors. theta energy: -175.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2044.261193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.261193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.261193 (E_RNA)
where:
Base-Base interactions energy: -1403.033
where: short stacking energy: -591.851
Base-Backbone interact. energy: 0.508
local terms energy: -641.735291
where:
bonds (distance) C4'-P energy: -121.165
bonds (distance) P-C4' energy: -111.878
flat angles C4'-P-C4' energy: -146.309
flat angles P-C4'-P energy: -104.606
tors. eta vs tors. theta energy: -157.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1879.623696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.623696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.623696 (E_RNA)
where:
Base-Base interactions energy: -1248.477
where: short stacking energy: -534.442
Base-Backbone interact. energy: -2.597
local terms energy: -628.549335
where:
bonds (distance) C4'-P energy: -115.007
bonds (distance) P-C4' energy: -134.573
flat angles C4'-P-C4' energy: -145.349
flat angles P-C4'-P energy: -92.196
tors. eta vs tors. theta energy: -141.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1728.336692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.336692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.336692 (E_RNA)
where:
Base-Base interactions energy: -1178.655
where: short stacking energy: -515.239
Base-Backbone interact. energy: -0.354
local terms energy: -549.327920
where:
bonds (distance) C4'-P energy: -103.630
bonds (distance) P-C4' energy: -113.669
flat angles C4'-P-C4' energy: -135.343
flat angles P-C4'-P energy: -74.779
tors. eta vs tors. theta energy: -121.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1558.598965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.598965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.598965 (E_RNA)
where:
Base-Base interactions energy: -1028.507
where: short stacking energy: -465.453
Base-Backbone interact. energy: 0.379
local terms energy: -530.470772
where:
bonds (distance) C4'-P energy: -103.319
bonds (distance) P-C4' energy: -134.694
flat angles C4'-P-C4' energy: -127.289
flat angles P-C4'-P energy: -72.102
tors. eta vs tors. theta energy: -93.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1204.268950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.268950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.268950 (E_RNA)
where:
Base-Base interactions energy: -703.446
where: short stacking energy: -352.334
Base-Backbone interact. energy: 1.295
local terms energy: -502.118622
where:
bonds (distance) C4'-P energy: -147.403
bonds (distance) P-C4' energy: -117.848
flat angles C4'-P-C4' energy: -117.890
flat angles P-C4'-P energy: -64.259
tors. eta vs tors. theta energy: -54.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -856.481403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.481403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.481403 (E_RNA)
where:
Base-Base interactions energy: -439.132
where: short stacking energy: -238.848
Base-Backbone interact. energy: 1.991
local terms energy: -419.339803
where:
bonds (distance) C4'-P energy: -101.176
bonds (distance) P-C4' energy: -130.485
flat angles C4'-P-C4' energy: -105.644
flat angles P-C4'-P energy: -73.883
tors. eta vs tors. theta energy: -8.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2482.467885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.467885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.467885 (E_RNA)
where:
Base-Base interactions energy: -1694.490
where: short stacking energy: -726.350
Base-Backbone interact. energy: 1.229
local terms energy: -789.206755
where:
bonds (distance) C4'-P energy: -143.748
bonds (distance) P-C4' energy: -146.044
flat angles C4'-P-C4' energy: -162.515
flat angles P-C4'-P energy: -118.234
tors. eta vs tors. theta energy: -218.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2413.938937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.938937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.938937 (E_RNA)
where:
Base-Base interactions energy: -1668.108
where: short stacking energy: -695.215
Base-Backbone interact. energy: -4.316
local terms energy: -741.514446
where:
bonds (distance) C4'-P energy: -140.230
bonds (distance) P-C4' energy: -145.436
flat angles C4'-P-C4' energy: -163.162
flat angles P-C4'-P energy: -100.604
tors. eta vs tors. theta energy: -192.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2377.446829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.446829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.446829 (E_RNA)
where:
Base-Base interactions energy: -1647.302
where: short stacking energy: -705.853
Base-Backbone interact. energy: 1.900
local terms energy: -732.044040
where:
bonds (distance) C4'-P energy: -135.382
bonds (distance) P-C4' energy: -130.437
flat angles C4'-P-C4' energy: -144.707
flat angles P-C4'-P energy: -112.091
tors. eta vs tors. theta energy: -209.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2196.003055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.003055 (E_RNA)
where:
Base-Base interactions energy: -1494.287
where: short stacking energy: -631.957
Base-Backbone interact. energy: -0.414
local terms energy: -701.301539
where:
bonds (distance) C4'-P energy: -138.366
bonds (distance) P-C4' energy: -142.359
flat angles C4'-P-C4' energy: -150.464
flat angles P-C4'-P energy: -92.570
tors. eta vs tors. theta energy: -177.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2013.354320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.354320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.354320 (E_RNA)
where:
Base-Base interactions energy: -1383.050
where: short stacking energy: -621.733
Base-Backbone interact. energy: -3.730
local terms energy: -626.574271
where:
bonds (distance) C4'-P energy: -119.027
bonds (distance) P-C4' energy: -124.581
flat angles C4'-P-C4' energy: -142.431
flat angles P-C4'-P energy: -86.013
tors. eta vs tors. theta energy: -154.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1857.770612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.770612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.770612 (E_RNA)
where:
Base-Base interactions energy: -1238.591
where: short stacking energy: -499.475
Base-Backbone interact. energy: -4.630
local terms energy: -614.549255
where:
bonds (distance) C4'-P energy: -130.904
bonds (distance) P-C4' energy: -137.218
flat angles C4'-P-C4' energy: -138.529
flat angles P-C4'-P energy: -68.005
tors. eta vs tors. theta energy: -139.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1693.719211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.719211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.719211 (E_RNA)
where:
Base-Base interactions energy: -1133.345
where: short stacking energy: -511.745
Base-Backbone interact. energy: 4.592
local terms energy: -564.965831
where:
bonds (distance) C4'-P energy: -115.358
bonds (distance) P-C4' energy: -112.497
flat angles C4'-P-C4' energy: -137.668
flat angles P-C4'-P energy: -84.019
tors. eta vs tors. theta energy: -115.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1550.305875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.305875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.305875 (E_RNA)
where:
Base-Base interactions energy: -993.849
where: short stacking energy: -453.257
Base-Backbone interact. energy: -1.948
local terms energy: -554.509236
where:
bonds (distance) C4'-P energy: -128.613
bonds (distance) P-C4' energy: -117.784
flat angles C4'-P-C4' energy: -127.422
flat angles P-C4'-P energy: -82.475
tors. eta vs tors. theta energy: -98.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1162.935284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.935284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.935284 (E_RNA)
where:
Base-Base interactions energy: -714.930
where: short stacking energy: -345.905
Base-Backbone interact. energy: 1.328
local terms energy: -449.332824
where:
bonds (distance) C4'-P energy: -110.695
bonds (distance) P-C4' energy: -121.011
flat angles C4'-P-C4' energy: -97.591
flat angles P-C4'-P energy: -73.632
tors. eta vs tors. theta energy: -46.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -833.781598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.781598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.781598 (E_RNA)
where:
Base-Base interactions energy: -433.433
where: short stacking energy: -222.508
Base-Backbone interact. energy: 1.765
local terms energy: -402.113564
where:
bonds (distance) C4'-P energy: -98.393
bonds (distance) P-C4' energy: -122.639
flat angles C4'-P-C4' energy: -106.998
flat angles P-C4'-P energy: -67.036
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2471.539512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.539512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.539512 (E_RNA)
where:
Base-Base interactions energy: -1690.507
where: short stacking energy: -718.804
Base-Backbone interact. energy: -1.508
local terms energy: -779.523874
where:
bonds (distance) C4'-P energy: -143.106
bonds (distance) P-C4' energy: -154.313
flat angles C4'-P-C4' energy: -164.783
flat angles P-C4'-P energy: -109.714
tors. eta vs tors. theta energy: -207.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2415.125271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.125271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.125271 (E_RNA)
where:
Base-Base interactions energy: -1667.683
where: short stacking energy: -701.599
Base-Backbone interact. energy: -1.113
local terms energy: -746.328842
where:
bonds (distance) C4'-P energy: -134.475
bonds (distance) P-C4' energy: -152.169
flat angles C4'-P-C4' energy: -162.935
flat angles P-C4'-P energy: -97.167
tors. eta vs tors. theta energy: -199.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2380.400776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.400776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.400776 (E_RNA)
where:
Base-Base interactions energy: -1626.096
where: short stacking energy: -702.294
Base-Backbone interact. energy: 0.399
local terms energy: -754.703758
where:
bonds (distance) C4'-P energy: -133.916
bonds (distance) P-C4' energy: -150.571
flat angles C4'-P-C4' energy: -156.946
flat angles P-C4'-P energy: -114.548
tors. eta vs tors. theta energy: -198.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2200.899858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.899858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.899858 (E_RNA)
where:
Base-Base interactions energy: -1509.029
where: short stacking energy: -667.518
Base-Backbone interact. energy: -3.479
local terms energy: -688.392530
where:
bonds (distance) C4'-P energy: -121.325
bonds (distance) P-C4' energy: -137.198
flat angles C4'-P-C4' energy: -168.137
flat angles P-C4'-P energy: -88.121
tors. eta vs tors. theta energy: -173.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2051.770608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.770608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.770608 (E_RNA)
where:
Base-Base interactions energy: -1395.667
where: short stacking energy: -615.507
Base-Backbone interact. energy: -0.752
local terms energy: -655.351708
where:
bonds (distance) C4'-P energy: -134.521
bonds (distance) P-C4' energy: -132.243
flat angles C4'-P-C4' energy: -141.509
flat angles P-C4'-P energy: -78.788
tors. eta vs tors. theta energy: -168.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1906.618071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.618071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.618071 (E_RNA)
where:
Base-Base interactions energy: -1274.502
where: short stacking energy: -593.888
Base-Backbone interact. energy: 0.707
local terms energy: -632.822869
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -111.077
flat angles C4'-P-C4' energy: -149.464
flat angles P-C4'-P energy: -95.837
tors. eta vs tors. theta energy: -151.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1708.061682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.061682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.061682 (E_RNA)
where:
Base-Base interactions energy: -1129.070
where: short stacking energy: -550.739
Base-Backbone interact. energy: -2.450
local terms energy: -576.540880
where:
bonds (distance) C4'-P energy: -105.378
bonds (distance) P-C4' energy: -116.186
flat angles C4'-P-C4' energy: -127.393
flat angles P-C4'-P energy: -81.685
tors. eta vs tors. theta energy: -145.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1464.331805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.331805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.331805 (E_RNA)
where:
Base-Base interactions energy: -928.289
where: short stacking energy: -406.314
Base-Backbone interact. energy: 2.745
local terms energy: -538.788776
where:
bonds (distance) C4'-P energy: -119.966
bonds (distance) P-C4' energy: -132.666
flat angles C4'-P-C4' energy: -136.984
flat angles P-C4'-P energy: -72.102
tors. eta vs tors. theta energy: -77.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1189.981704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.981704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.981704 (E_RNA)
where:
Base-Base interactions energy: -684.771
where: short stacking energy: -329.740
Base-Backbone interact. energy: 2.915
local terms energy: -508.125675
where:
bonds (distance) C4'-P energy: -135.348
bonds (distance) P-C4' energy: -113.518
flat angles C4'-P-C4' energy: -132.087
flat angles P-C4'-P energy: -72.322
tors. eta vs tors. theta energy: -54.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -771.367714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.367714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.367714 (E_RNA)
where:
Base-Base interactions energy: -368.939
where: short stacking energy: -216.627
Base-Backbone interact. energy: -0.873
local terms energy: -401.555466
where:
bonds (distance) C4'-P energy: -119.464
bonds (distance) P-C4' energy: -116.237
flat angles C4'-P-C4' energy: -111.201
flat angles P-C4'-P energy: -61.629
tors. eta vs tors. theta energy: 6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2482.273873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.273873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.273873 (E_RNA)
where:
Base-Base interactions energy: -1701.810
where: short stacking energy: -731.181
Base-Backbone interact. energy: -2.344
local terms energy: -778.120663
where:
bonds (distance) C4'-P energy: -139.507
bonds (distance) P-C4' energy: -149.225
flat angles C4'-P-C4' energy: -165.734
flat angles P-C4'-P energy: -119.178
tors. eta vs tors. theta energy: -204.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2431.009801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.009801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.009801 (E_RNA)
where:
Base-Base interactions energy: -1710.003
where: short stacking energy: -699.795
Base-Backbone interact. energy: -0.483
local terms energy: -720.524747
where:
bonds (distance) C4'-P energy: -133.329
bonds (distance) P-C4' energy: -144.695
flat angles C4'-P-C4' energy: -157.206
flat angles P-C4'-P energy: -102.797
tors. eta vs tors. theta energy: -182.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2365.988958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.988958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.988958 (E_RNA)
where:
Base-Base interactions energy: -1624.056
where: short stacking energy: -699.831
Base-Backbone interact. energy: -4.552
local terms energy: -737.380879
where:
bonds (distance) C4'-P energy: -117.550
bonds (distance) P-C4' energy: -154.824
flat angles C4'-P-C4' energy: -155.687
flat angles P-C4'-P energy: -109.906
tors. eta vs tors. theta energy: -199.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2153.681028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.681028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.681028 (E_RNA)
where:
Base-Base interactions energy: -1479.184
where: short stacking energy: -628.996
Base-Backbone interact. energy: 0.081
local terms energy: -674.578200
where:
bonds (distance) C4'-P energy: -118.248
bonds (distance) P-C4' energy: -137.536
flat angles C4'-P-C4' energy: -145.759
flat angles P-C4'-P energy: -115.327
tors. eta vs tors. theta energy: -157.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2036.681383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.681383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.681383 (E_RNA)
where:
Base-Base interactions energy: -1347.877
where: short stacking energy: -610.779
Base-Backbone interact. energy: -5.759
local terms energy: -683.045468
where:
bonds (distance) C4'-P energy: -125.528
bonds (distance) P-C4' energy: -149.451
flat angles C4'-P-C4' energy: -160.967
flat angles P-C4'-P energy: -89.445
tors. eta vs tors. theta energy: -157.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1850.870571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.870571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.870571 (E_RNA)
where:
Base-Base interactions energy: -1250.710
where: short stacking energy: -546.958
Base-Backbone interact. energy: -1.802
local terms energy: -598.358473
where:
bonds (distance) C4'-P energy: -121.208
bonds (distance) P-C4' energy: -98.057
flat angles C4'-P-C4' energy: -141.828
flat angles P-C4'-P energy: -98.242
tors. eta vs tors. theta energy: -139.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1774.163126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.163126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.163126 (E_RNA)
where:
Base-Base interactions energy: -1176.704
where: short stacking energy: -546.733
Base-Backbone interact. energy: -1.144
local terms energy: -596.315213
where:
bonds (distance) C4'-P energy: -110.238
bonds (distance) P-C4' energy: -125.309
flat angles C4'-P-C4' energy: -133.647
flat angles P-C4'-P energy: -87.464
tors. eta vs tors. theta energy: -139.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1489.995508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.995508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.995508 (E_RNA)
where:
Base-Base interactions energy: -983.426
where: short stacking energy: -432.807
Base-Backbone interact. energy: -4.212
local terms energy: -502.357008
where:
bonds (distance) C4'-P energy: -113.224
bonds (distance) P-C4' energy: -97.122
flat angles C4'-P-C4' energy: -124.266
flat angles P-C4'-P energy: -70.320
tors. eta vs tors. theta energy: -97.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1143.088444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.088444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.088444 (E_RNA)
where:
Base-Base interactions energy: -678.178
where: short stacking energy: -337.099
Base-Backbone interact. energy: -0.340
local terms energy: -464.570697
where:
bonds (distance) C4'-P energy: -115.863
bonds (distance) P-C4' energy: -121.415
flat angles C4'-P-C4' energy: -108.279
flat angles P-C4'-P energy: -72.472
tors. eta vs tors. theta energy: -46.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -686.422815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.422815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.422815 (E_RNA)
where:
Base-Base interactions energy: -318.587
where: short stacking energy: -183.277
Base-Backbone interact. energy: 0.763
local terms energy: -368.598703
where:
bonds (distance) C4'-P energy: -115.455
bonds (distance) P-C4' energy: -106.643
flat angles C4'-P-C4' energy: -111.597
flat angles P-C4'-P energy: -62.027
tors. eta vs tors. theta energy: 27.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2471.668947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.668947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.668947 (E_RNA)
where:
Base-Base interactions energy: -1708.406
where: short stacking energy: -717.973
Base-Backbone interact. energy: -1.370
local terms energy: -761.892345
where:
bonds (distance) C4'-P energy: -137.213
bonds (distance) P-C4' energy: -147.609
flat angles C4'-P-C4' energy: -161.886
flat angles P-C4'-P energy: -104.982
tors. eta vs tors. theta energy: -210.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2449.666795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.666795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.666795 (E_RNA)
where:
Base-Base interactions energy: -1691.635
where: short stacking energy: -699.360
Base-Backbone interact. energy: -1.210
local terms energy: -756.821525
where:
bonds (distance) C4'-P energy: -134.783
bonds (distance) P-C4' energy: -152.021
flat angles C4'-P-C4' energy: -172.606
flat angles P-C4'-P energy: -110.305
tors. eta vs tors. theta energy: -187.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2346.150559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.150559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.150559 (E_RNA)
where:
Base-Base interactions energy: -1614.542
where: short stacking energy: -705.658
Base-Backbone interact. energy: -5.719
local terms energy: -725.889590
where:
bonds (distance) C4'-P energy: -115.869
bonds (distance) P-C4' energy: -131.810
flat angles C4'-P-C4' energy: -172.402
flat angles P-C4'-P energy: -100.731
tors. eta vs tors. theta energy: -205.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2151.218829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.218829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.218829 (E_RNA)
where:
Base-Base interactions energy: -1471.121
where: short stacking energy: -652.262
Base-Backbone interact. energy: 4.880
local terms energy: -684.977841
where:
bonds (distance) C4'-P energy: -122.485
bonds (distance) P-C4' energy: -133.339
flat angles C4'-P-C4' energy: -148.761
flat angles P-C4'-P energy: -104.358
tors. eta vs tors. theta energy: -176.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2065.388999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.388999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.388999 (E_RNA)
where:
Base-Base interactions energy: -1384.779
where: short stacking energy: -590.818
Base-Backbone interact. energy: -2.992
local terms energy: -677.617716
where:
bonds (distance) C4'-P energy: -139.890
bonds (distance) P-C4' energy: -138.265
flat angles C4'-P-C4' energy: -146.395
flat angles P-C4'-P energy: -104.424
tors. eta vs tors. theta energy: -148.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1830.821616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.821616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.821616 (E_RNA)
where:
Base-Base interactions energy: -1212.304
where: short stacking energy: -555.093
Base-Backbone interact. energy: -2.957
local terms energy: -615.560061
where:
bonds (distance) C4'-P energy: -117.807
bonds (distance) P-C4' energy: -141.543
flat angles C4'-P-C4' energy: -152.947
flat angles P-C4'-P energy: -70.637
tors. eta vs tors. theta energy: -132.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1755.243105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.243105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.243105 (E_RNA)
where:
Base-Base interactions energy: -1176.547
where: short stacking energy: -509.058
Base-Backbone interact. energy: 1.030
local terms energy: -579.725887
where:
bonds (distance) C4'-P energy: -111.310
bonds (distance) P-C4' energy: -125.943
flat angles C4'-P-C4' energy: -133.460
flat angles P-C4'-P energy: -91.985
tors. eta vs tors. theta energy: -117.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1478.036852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.036852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.036852 (E_RNA)
where:
Base-Base interactions energy: -968.861
where: short stacking energy: -423.882
Base-Backbone interact. energy: -2.768
local terms energy: -506.408283
where:
bonds (distance) C4'-P energy: -125.166
bonds (distance) P-C4' energy: -104.661
flat angles C4'-P-C4' energy: -137.519
flat angles P-C4'-P energy: -69.877
tors. eta vs tors. theta energy: -69.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1132.646486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.646486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.646486 (E_RNA)
where:
Base-Base interactions energy: -655.757
where: short stacking energy: -350.597
Base-Backbone interact. energy: -0.039
local terms energy: -476.850742
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -113.014
flat angles C4'-P-C4' energy: -117.386
flat angles P-C4'-P energy: -72.603
tors. eta vs tors. theta energy: -62.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -694.552584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.552584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.552584 (E_RNA)
where:
Base-Base interactions energy: -314.539
where: short stacking energy: -169.989
Base-Backbone interact. energy: 0.727
local terms energy: -380.740110
where:
bonds (distance) C4'-P energy: -112.908
bonds (distance) P-C4' energy: -125.476
flat angles C4'-P-C4' energy: -99.407
flat angles P-C4'-P energy: -61.370
tors. eta vs tors. theta energy: 18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2503.299479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.299479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.299479 (E_RNA)
where:
Base-Base interactions energy: -1727.105
where: short stacking energy: -716.485
Base-Backbone interact. energy: -5.677
local terms energy: -770.517309
where:
bonds (distance) C4'-P energy: -147.249
bonds (distance) P-C4' energy: -149.799
flat angles C4'-P-C4' energy: -164.165
flat angles P-C4'-P energy: -106.540
tors. eta vs tors. theta energy: -202.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2413.854762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.854762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.854762 (E_RNA)
where:
Base-Base interactions energy: -1685.399
where: short stacking energy: -706.333
Base-Backbone interact. energy: -3.728
local terms energy: -724.728520
where:
bonds (distance) C4'-P energy: -129.341
bonds (distance) P-C4' energy: -130.186
flat angles C4'-P-C4' energy: -164.021
flat angles P-C4'-P energy: -103.782
tors. eta vs tors. theta energy: -197.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2367.828431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.828431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.828431 (E_RNA)
where:
Base-Base interactions energy: -1600.783
where: short stacking energy: -678.911
Base-Backbone interact. energy: -3.305
local terms energy: -763.740475
where:
bonds (distance) C4'-P energy: -136.746
bonds (distance) P-C4' energy: -151.694
flat angles C4'-P-C4' energy: -158.692
flat angles P-C4'-P energy: -110.499
tors. eta vs tors. theta energy: -206.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2146.648977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.648977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.648977 (E_RNA)
where:
Base-Base interactions energy: -1477.349
where: short stacking energy: -647.910
Base-Backbone interact. energy: 9.632
local terms energy: -678.931889
where:
bonds (distance) C4'-P energy: -132.460
bonds (distance) P-C4' energy: -131.830
flat angles C4'-P-C4' energy: -136.155
flat angles P-C4'-P energy: -103.339
tors. eta vs tors. theta energy: -175.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2052.421505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.421505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.421505 (E_RNA)
where:
Base-Base interactions energy: -1380.262
where: short stacking energy: -591.844
Base-Backbone interact. energy: -0.076
local terms energy: -672.083881
where:
bonds (distance) C4'-P energy: -129.012
bonds (distance) P-C4' energy: -143.981
flat angles C4'-P-C4' energy: -155.944
flat angles P-C4'-P energy: -98.790
tors. eta vs tors. theta energy: -144.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1839.841498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.841498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.841498 (E_RNA)
where:
Base-Base interactions energy: -1231.895
where: short stacking energy: -556.861
Base-Backbone interact. energy: 3.922
local terms energy: -611.868612
where:
bonds (distance) C4'-P energy: -119.182
bonds (distance) P-C4' energy: -130.854
flat angles C4'-P-C4' energy: -132.306
flat angles P-C4'-P energy: -93.193
tors. eta vs tors. theta energy: -136.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1759.101961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.101961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.101961 (E_RNA)
where:
Base-Base interactions energy: -1178.803
where: short stacking energy: -508.950
Base-Backbone interact. energy: -2.195
local terms energy: -578.104422
where:
bonds (distance) C4'-P energy: -115.253
bonds (distance) P-C4' energy: -123.825
flat angles C4'-P-C4' energy: -128.800
flat angles P-C4'-P energy: -82.461
tors. eta vs tors. theta energy: -127.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1499.448653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.448653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.448653 (E_RNA)
where:
Base-Base interactions energy: -945.137
where: short stacking energy: -427.866
Base-Backbone interact. energy: 0.006
local terms energy: -554.317820
where:
bonds (distance) C4'-P energy: -102.639
bonds (distance) P-C4' energy: -142.665
flat angles C4'-P-C4' energy: -121.592
flat angles P-C4'-P energy: -91.984
tors. eta vs tors. theta energy: -95.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1169.644936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.644936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.644936 (E_RNA)
where:
Base-Base interactions energy: -700.144
where: short stacking energy: -322.298
Base-Backbone interact. energy: 6.240
local terms energy: -475.740368
where:
bonds (distance) C4'-P energy: -110.862
bonds (distance) P-C4' energy: -104.911
flat angles C4'-P-C4' energy: -131.773
flat angles P-C4'-P energy: -79.997
tors. eta vs tors. theta energy: -48.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -650.711111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.711111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.711111 (E_RNA)
where:
Base-Base interactions energy: -287.944
where: short stacking energy: -201.023
Base-Backbone interact. energy: -0.118
local terms energy: -362.648733
where:
bonds (distance) C4'-P energy: -114.064
bonds (distance) P-C4' energy: -97.238
flat angles C4'-P-C4' energy: -109.252
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: 3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2524.215445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.215445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.215445 (E_RNA)
where:
Base-Base interactions energy: -1758.210
where: short stacking energy: -745.691
Base-Backbone interact. energy: -4.362
local terms energy: -761.643333
where:
bonds (distance) C4'-P energy: -131.266
bonds (distance) P-C4' energy: -142.550
flat angles C4'-P-C4' energy: -160.945
flat angles P-C4'-P energy: -117.680
tors. eta vs tors. theta energy: -209.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2424.941388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.941388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.941388 (E_RNA)
where:
Base-Base interactions energy: -1653.507
where: short stacking energy: -746.760
Base-Backbone interact. energy: -3.031
local terms energy: -768.402566
where:
bonds (distance) C4'-P energy: -133.883
bonds (distance) P-C4' energy: -156.750
flat angles C4'-P-C4' energy: -154.330
flat angles P-C4'-P energy: -110.057
tors. eta vs tors. theta energy: -213.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2350.090755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.090755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.090755 (E_RNA)
where:
Base-Base interactions energy: -1635.605
where: short stacking energy: -669.779
Base-Backbone interact. energy: -1.117
local terms energy: -713.369097
where:
bonds (distance) C4'-P energy: -139.538
bonds (distance) P-C4' energy: -148.040
flat angles C4'-P-C4' energy: -148.877
flat angles P-C4'-P energy: -93.621
tors. eta vs tors. theta energy: -183.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2166.711033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.711033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.711033 (E_RNA)
where:
Base-Base interactions energy: -1471.016
where: short stacking energy: -656.629
Base-Backbone interact. energy: -0.783
local terms energy: -694.912694
where:
bonds (distance) C4'-P energy: -124.302
bonds (distance) P-C4' energy: -126.305
flat angles C4'-P-C4' energy: -148.801
flat angles P-C4'-P energy: -106.751
tors. eta vs tors. theta energy: -188.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2028.244754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.244754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.244754 (E_RNA)
where:
Base-Base interactions energy: -1386.335
where: short stacking energy: -592.221
Base-Backbone interact. energy: -0.752
local terms energy: -641.157612
where:
bonds (distance) C4'-P energy: -124.490
bonds (distance) P-C4' energy: -135.123
flat angles C4'-P-C4' energy: -137.360
flat angles P-C4'-P energy: -97.862
tors. eta vs tors. theta energy: -146.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1802.337652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.337652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.337652 (E_RNA)
where:
Base-Base interactions energy: -1195.969
where: short stacking energy: -521.204
Base-Backbone interact. energy: 1.517
local terms energy: -607.886199
where:
bonds (distance) C4'-P energy: -121.422
bonds (distance) P-C4' energy: -125.355
flat angles C4'-P-C4' energy: -135.534
flat angles P-C4'-P energy: -90.259
tors. eta vs tors. theta energy: -135.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1693.587541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.587541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.587541 (E_RNA)
where:
Base-Base interactions energy: -1096.069
where: short stacking energy: -463.984
Base-Backbone interact. energy: 0.186
local terms energy: -597.705276
where:
bonds (distance) C4'-P energy: -114.588
bonds (distance) P-C4' energy: -123.463
flat angles C4'-P-C4' energy: -141.510
flat angles P-C4'-P energy: -94.818
tors. eta vs tors. theta energy: -123.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1474.432687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.432687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.432687 (E_RNA)
where:
Base-Base interactions energy: -941.813
where: short stacking energy: -410.378
Base-Backbone interact. energy: 7.499
local terms energy: -540.118084
where:
bonds (distance) C4'-P energy: -115.545
bonds (distance) P-C4' energy: -134.563
flat angles C4'-P-C4' energy: -126.187
flat angles P-C4'-P energy: -82.367
tors. eta vs tors. theta energy: -81.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1137.907882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.907882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.907882 (E_RNA)
where:
Base-Base interactions energy: -681.905
where: short stacking energy: -331.334
Base-Backbone interact. energy: 4.528
local terms energy: -460.531002
where:
bonds (distance) C4'-P energy: -118.818
bonds (distance) P-C4' energy: -122.570
flat angles C4'-P-C4' energy: -111.140
flat angles P-C4'-P energy: -73.178
tors. eta vs tors. theta energy: -34.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -676.488638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.488638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.488638 (E_RNA)
where:
Base-Base interactions energy: -281.694
where: short stacking energy: -187.616
Base-Backbone interact. energy: 0.053
local terms energy: -394.847513
where:
bonds (distance) C4'-P energy: -123.158
bonds (distance) P-C4' energy: -120.428
flat angles C4'-P-C4' energy: -95.044
flat angles P-C4'-P energy: -76.278
tors. eta vs tors. theta energy: 20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2506.105384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.105384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.105384 (E_RNA)
where:
Base-Base interactions energy: -1719.188
where: short stacking energy: -723.273
Base-Backbone interact. energy: -3.394
local terms energy: -783.523360
where:
bonds (distance) C4'-P energy: -148.055
bonds (distance) P-C4' energy: -152.214
flat angles C4'-P-C4' energy: -165.182
flat angles P-C4'-P energy: -108.020
tors. eta vs tors. theta energy: -210.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2435.201385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.201385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.201385 (E_RNA)
where:
Base-Base interactions energy: -1657.644
where: short stacking energy: -744.936
Base-Backbone interact. energy: -3.634
local terms energy: -773.923249
where:
bonds (distance) C4'-P energy: -142.523
bonds (distance) P-C4' energy: -146.832
flat angles C4'-P-C4' energy: -165.193
flat angles P-C4'-P energy: -104.392
tors. eta vs tors. theta energy: -214.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2330.719654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.719654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.719654 (E_RNA)
where:
Base-Base interactions energy: -1599.613
where: short stacking energy: -669.404
Base-Backbone interact. energy: -2.780
local terms energy: -728.326458
where:
bonds (distance) C4'-P energy: -147.700
bonds (distance) P-C4' energy: -147.782
flat angles C4'-P-C4' energy: -151.582
flat angles P-C4'-P energy: -95.275
tors. eta vs tors. theta energy: -185.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2165.324851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.324851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.324851 (E_RNA)
where:
Base-Base interactions energy: -1456.026
where: short stacking energy: -639.090
Base-Backbone interact. energy: -4.359
local terms energy: -704.939249
where:
bonds (distance) C4'-P energy: -130.562
bonds (distance) P-C4' energy: -143.824
flat angles C4'-P-C4' energy: -161.662
flat angles P-C4'-P energy: -101.244
tors. eta vs tors. theta energy: -167.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2001.941673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.941673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.941673 (E_RNA)
where:
Base-Base interactions energy: -1357.057
where: short stacking energy: -588.772
Base-Backbone interact. energy: -3.187
local terms energy: -641.697219
where:
bonds (distance) C4'-P energy: -136.673
bonds (distance) P-C4' energy: -140.462
flat angles C4'-P-C4' energy: -136.502
flat angles P-C4'-P energy: -80.362
tors. eta vs tors. theta energy: -147.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1835.974723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.974723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.974723 (E_RNA)
where:
Base-Base interactions energy: -1197.554
where: short stacking energy: -566.013
Base-Backbone interact. energy: -0.647
local terms energy: -637.773797
where:
bonds (distance) C4'-P energy: -118.997
bonds (distance) P-C4' energy: -132.787
flat angles C4'-P-C4' energy: -137.883
flat angles P-C4'-P energy: -104.545
tors. eta vs tors. theta energy: -143.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1665.560294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.560294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.560294 (E_RNA)
where:
Base-Base interactions energy: -1085.456
where: short stacking energy: -496.227
Base-Backbone interact. energy: -0.255
local terms energy: -579.848881
where:
bonds (distance) C4'-P energy: -115.867
bonds (distance) P-C4' energy: -123.965
flat angles C4'-P-C4' energy: -132.777
flat angles P-C4'-P energy: -83.318
tors. eta vs tors. theta energy: -123.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1491.228969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.228969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.228969 (E_RNA)
where:
Base-Base interactions energy: -953.373
where: short stacking energy: -427.172
Base-Backbone interact. energy: 3.825
local terms energy: -541.681334
where:
bonds (distance) C4'-P energy: -115.772
bonds (distance) P-C4' energy: -127.756
flat angles C4'-P-C4' energy: -118.167
flat angles P-C4'-P energy: -73.008
tors. eta vs tors. theta energy: -106.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1161.187302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.187302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.187302 (E_RNA)
where:
Base-Base interactions energy: -698.333
where: short stacking energy: -338.170
Base-Backbone interact. energy: 3.993
local terms energy: -466.847180
where:
bonds (distance) C4'-P energy: -119.646
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -124.265
flat angles P-C4'-P energy: -62.179
tors. eta vs tors. theta energy: -48.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -706.840576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.840576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.840576 (E_RNA)
where:
Base-Base interactions energy: -320.657
where: short stacking energy: -204.131
Base-Backbone interact. energy: -0.474
local terms energy: -385.709531
where:
bonds (distance) C4'-P energy: -114.144
bonds (distance) P-C4' energy: -116.487
flat angles C4'-P-C4' energy: -100.281
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2499.314444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.314444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.314444 (E_RNA)
where:
Base-Base interactions energy: -1727.252
where: short stacking energy: -701.131
Base-Backbone interact. energy: -1.353
local terms energy: -770.710008
where:
bonds (distance) C4'-P energy: -146.571
bonds (distance) P-C4' energy: -152.814
flat angles C4'-P-C4' energy: -157.331
flat angles P-C4'-P energy: -101.894
tors. eta vs tors. theta energy: -212.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2442.582393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.582393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.582393 (E_RNA)
where:
Base-Base interactions energy: -1666.397
where: short stacking energy: -711.384
Base-Backbone interact. energy: -0.180
local terms energy: -776.004865
where:
bonds (distance) C4'-P energy: -144.138
bonds (distance) P-C4' energy: -149.816
flat angles C4'-P-C4' energy: -152.759
flat angles P-C4'-P energy: -109.038
tors. eta vs tors. theta energy: -220.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2353.953736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.953736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.953736 (E_RNA)
where:
Base-Base interactions energy: -1644.116
where: short stacking energy: -677.285
Base-Backbone interact. energy: -0.320
local terms energy: -709.517588
where:
bonds (distance) C4'-P energy: -125.904
bonds (distance) P-C4' energy: -145.811
flat angles C4'-P-C4' energy: -151.080
flat angles P-C4'-P energy: -100.711
tors. eta vs tors. theta energy: -186.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2209.721575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.721575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.721575 (E_RNA)
where:
Base-Base interactions energy: -1487.627
where: short stacking energy: -662.548
Base-Backbone interact. energy: -1.341
local terms energy: -720.753005
where:
bonds (distance) C4'-P energy: -125.062
bonds (distance) P-C4' energy: -137.554
flat angles C4'-P-C4' energy: -147.329
flat angles P-C4'-P energy: -122.667
tors. eta vs tors. theta energy: -188.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2002.442942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.442942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.442942 (E_RNA)
where:
Base-Base interactions energy: -1330.068
where: short stacking energy: -591.568
Base-Backbone interact. energy: 1.063
local terms energy: -673.438099
where:
bonds (distance) C4'-P energy: -151.253
bonds (distance) P-C4' energy: -139.352
flat angles C4'-P-C4' energy: -142.688
flat angles P-C4'-P energy: -93.426
tors. eta vs tors. theta energy: -146.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1792.490843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.490843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.490843 (E_RNA)
where:
Base-Base interactions energy: -1197.444
where: short stacking energy: -538.148
Base-Backbone interact. energy: -2.004
local terms energy: -593.042409
where:
bonds (distance) C4'-P energy: -126.967
bonds (distance) P-C4' energy: -121.572
flat angles C4'-P-C4' energy: -116.955
flat angles P-C4'-P energy: -88.055
tors. eta vs tors. theta energy: -139.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1715.012477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.012477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.012477 (E_RNA)
where:
Base-Base interactions energy: -1110.236
where: short stacking energy: -496.079
Base-Backbone interact. energy: -0.322
local terms energy: -604.453912
where:
bonds (distance) C4'-P energy: -128.230
bonds (distance) P-C4' energy: -127.275
flat angles C4'-P-C4' energy: -135.854
flat angles P-C4'-P energy: -92.166
tors. eta vs tors. theta energy: -120.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1502.117550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.117550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.117550 (E_RNA)
where:
Base-Base interactions energy: -960.810
where: short stacking energy: -435.449
Base-Backbone interact. energy: 3.691
local terms energy: -544.998959
where:
bonds (distance) C4'-P energy: -106.735
bonds (distance) P-C4' energy: -136.264
flat angles C4'-P-C4' energy: -115.472
flat angles P-C4'-P energy: -77.225
tors. eta vs tors. theta energy: -109.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1149.576070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.576070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.576070 (E_RNA)
where:
Base-Base interactions energy: -646.797
where: short stacking energy: -303.356
Base-Backbone interact. energy: -3.300
local terms energy: -499.479165
where:
bonds (distance) C4'-P energy: -116.032
bonds (distance) P-C4' energy: -133.419
flat angles C4'-P-C4' energy: -118.639
flat angles P-C4'-P energy: -87.168
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -727.855968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.855968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.855968 (E_RNA)
where:
Base-Base interactions energy: -333.474
where: short stacking energy: -173.492
Base-Backbone interact. energy: -2.423
local terms energy: -391.959382
where:
bonds (distance) C4'-P energy: -122.651
bonds (distance) P-C4' energy: -131.020
flat angles C4'-P-C4' energy: -84.799
flat angles P-C4'-P energy: -63.861
tors. eta vs tors. theta energy: 10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2476.042585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.042585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.042585 (E_RNA)
where:
Base-Base interactions energy: -1685.950
where: short stacking energy: -733.429
Base-Backbone interact. energy: -3.642
local terms energy: -786.450298
where:
bonds (distance) C4'-P energy: -150.323
bonds (distance) P-C4' energy: -155.115
flat angles C4'-P-C4' energy: -166.124
flat angles P-C4'-P energy: -106.064
tors. eta vs tors. theta energy: -208.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2419.283753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.283753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.283753 (E_RNA)
where:
Base-Base interactions energy: -1671.115
where: short stacking energy: -692.913
Base-Backbone interact. energy: 2.778
local terms energy: -750.947383
where:
bonds (distance) C4'-P energy: -143.836
bonds (distance) P-C4' energy: -149.228
flat angles C4'-P-C4' energy: -146.030
flat angles P-C4'-P energy: -106.880
tors. eta vs tors. theta energy: -204.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2347.505603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.505603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.505603 (E_RNA)
where:
Base-Base interactions energy: -1646.915
where: short stacking energy: -685.368
Base-Backbone interact. energy: -2.112
local terms energy: -698.477723
where:
bonds (distance) C4'-P energy: -128.544
bonds (distance) P-C4' energy: -132.608
flat angles C4'-P-C4' energy: -150.191
flat angles P-C4'-P energy: -111.290
tors. eta vs tors. theta energy: -175.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2205.992982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.992982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.992982 (E_RNA)
where:
Base-Base interactions energy: -1529.449
where: short stacking energy: -685.286
Base-Backbone interact. energy: -2.186
local terms energy: -674.357895
where:
bonds (distance) C4'-P energy: -118.808
bonds (distance) P-C4' energy: -126.372
flat angles C4'-P-C4' energy: -137.366
flat angles P-C4'-P energy: -101.605
tors. eta vs tors. theta energy: -190.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1972.392569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.392569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.392569 (E_RNA)
where:
Base-Base interactions energy: -1328.301
where: short stacking energy: -564.515
Base-Backbone interact. energy: -1.243
local terms energy: -642.849022
where:
bonds (distance) C4'-P energy: -127.883
bonds (distance) P-C4' energy: -151.083
flat angles C4'-P-C4' energy: -125.619
flat angles P-C4'-P energy: -96.416
tors. eta vs tors. theta energy: -141.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1779.526708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.526708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.526708 (E_RNA)
where:
Base-Base interactions energy: -1146.462
where: short stacking energy: -530.566
Base-Backbone interact. energy: 0.259
local terms energy: -633.323260
where:
bonds (distance) C4'-P energy: -134.884
bonds (distance) P-C4' energy: -117.151
flat angles C4'-P-C4' energy: -155.563
flat angles P-C4'-P energy: -97.208
tors. eta vs tors. theta energy: -128.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1635.644001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.644001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.644001 (E_RNA)
where:
Base-Base interactions energy: -1063.586
where: short stacking energy: -463.515
Base-Backbone interact. energy: 0.539
local terms energy: -572.597071
where:
bonds (distance) C4'-P energy: -117.816
bonds (distance) P-C4' energy: -132.001
flat angles C4'-P-C4' energy: -127.871
flat angles P-C4'-P energy: -82.294
tors. eta vs tors. theta energy: -112.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1445.666768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.666768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.666768 (E_RNA)
where:
Base-Base interactions energy: -939.773
where: short stacking energy: -431.874
Base-Backbone interact. energy: -0.694
local terms energy: -505.199874
where:
bonds (distance) C4'-P energy: -97.571
bonds (distance) P-C4' energy: -108.186
flat angles C4'-P-C4' energy: -137.693
flat angles P-C4'-P energy: -84.084
tors. eta vs tors. theta energy: -77.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1094.674423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.674423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.674423 (E_RNA)
where:
Base-Base interactions energy: -648.207
where: short stacking energy: -320.406
Base-Backbone interact. energy: -1.806
local terms energy: -444.660689
where:
bonds (distance) C4'-P energy: -118.797
bonds (distance) P-C4' energy: -117.291
flat angles C4'-P-C4' energy: -85.425
flat angles P-C4'-P energy: -77.315
tors. eta vs tors. theta energy: -45.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -761.256989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.256989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.256989 (E_RNA)
where:
Base-Base interactions energy: -375.684
where: short stacking energy: -226.945
Base-Backbone interact. energy: 0.623
local terms energy: -386.195901
where:
bonds (distance) C4'-P energy: -114.164
bonds (distance) P-C4' energy: -123.584
flat angles C4'-P-C4' energy: -84.618
flat angles P-C4'-P energy: -68.525
tors. eta vs tors. theta energy: 4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2521.243912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.243912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.243912 (E_RNA)
where:
Base-Base interactions energy: -1697.879
where: short stacking energy: -756.538
Base-Backbone interact. energy: -2.005
local terms energy: -821.359954
where:
bonds (distance) C4'-P energy: -156.296
bonds (distance) P-C4' energy: -163.437
flat angles C4'-P-C4' energy: -170.346
flat angles P-C4'-P energy: -107.643
tors. eta vs tors. theta energy: -223.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2432.834933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.834933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.834933 (E_RNA)
where:
Base-Base interactions energy: -1670.410
where: short stacking energy: -688.641
Base-Backbone interact. energy: 2.181
local terms energy: -764.606568
where:
bonds (distance) C4'-P energy: -139.882
bonds (distance) P-C4' energy: -143.613
flat angles C4'-P-C4' energy: -166.418
flat angles P-C4'-P energy: -115.360
tors. eta vs tors. theta energy: -199.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2316.130515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.130515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.130515 (E_RNA)
where:
Base-Base interactions energy: -1602.674
where: short stacking energy: -661.073
Base-Backbone interact. energy: -3.788
local terms energy: -709.668636
where:
bonds (distance) C4'-P energy: -141.933
bonds (distance) P-C4' energy: -140.631
flat angles C4'-P-C4' energy: -158.985
flat angles P-C4'-P energy: -86.517
tors. eta vs tors. theta energy: -181.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2227.678350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.678350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.678350 (E_RNA)
where:
Base-Base interactions energy: -1524.997
where: short stacking energy: -673.593
Base-Backbone interact. energy: -3.696
local terms energy: -698.984790
where:
bonds (distance) C4'-P energy: -128.847
bonds (distance) P-C4' energy: -146.885
flat angles C4'-P-C4' energy: -136.182
flat angles P-C4'-P energy: -91.916
tors. eta vs tors. theta energy: -195.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2029.706091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.706091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.706091 (E_RNA)
where:
Base-Base interactions energy: -1382.088
where: short stacking energy: -628.918
Base-Backbone interact. energy: -2.219
local terms energy: -645.399543
where:
bonds (distance) C4'-P energy: -135.089
bonds (distance) P-C4' energy: -135.131
flat angles C4'-P-C4' energy: -139.792
flat angles P-C4'-P energy: -75.534
tors. eta vs tors. theta energy: -159.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1858.825983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.825983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.825983 (E_RNA)
where:
Base-Base interactions energy: -1231.135
where: short stacking energy: -535.141
Base-Backbone interact. energy: -2.772
local terms energy: -624.918707
where:
bonds (distance) C4'-P energy: -132.014
bonds (distance) P-C4' energy: -138.736
flat angles C4'-P-C4' energy: -138.406
flat angles P-C4'-P energy: -78.826
tors. eta vs tors. theta energy: -136.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1690.794659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.794659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.794659 (E_RNA)
where:
Base-Base interactions energy: -1085.505
where: short stacking energy: -493.905
Base-Backbone interact. energy: -1.094
local terms energy: -604.195251
where:
bonds (distance) C4'-P energy: -105.052
bonds (distance) P-C4' energy: -146.493
flat angles C4'-P-C4' energy: -139.135
flat angles P-C4'-P energy: -88.356
tors. eta vs tors. theta energy: -125.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1502.060892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.060892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.060892 (E_RNA)
where:
Base-Base interactions energy: -938.921
where: short stacking energy: -393.971
Base-Backbone interact. energy: 0.674
local terms energy: -563.814220
where:
bonds (distance) C4'-P energy: -129.345
bonds (distance) P-C4' energy: -125.703
flat angles C4'-P-C4' energy: -130.095
flat angles P-C4'-P energy: -74.037
tors. eta vs tors. theta energy: -104.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1148.523636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.523636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.523636 (E_RNA)
where:
Base-Base interactions energy: -675.646
where: short stacking energy: -305.702
Base-Backbone interact. energy: -1.005
local terms energy: -471.872663
where:
bonds (distance) C4'-P energy: -101.698
bonds (distance) P-C4' energy: -132.336
flat angles C4'-P-C4' energy: -124.740
flat angles P-C4'-P energy: -71.908
tors. eta vs tors. theta energy: -41.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -735.209299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.209299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.209299 (E_RNA)
where:
Base-Base interactions energy: -333.652
where: short stacking energy: -204.112
Base-Backbone interact. energy: 5.875
local terms energy: -407.431520
where:
bonds (distance) C4'-P energy: -128.241
bonds (distance) P-C4' energy: -106.423
flat angles C4'-P-C4' energy: -112.489
flat angles P-C4'-P energy: -57.412
tors. eta vs tors. theta energy: -2.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2494.026932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.026932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.026932 (E_RNA)
where:
Base-Base interactions energy: -1677.921
where: short stacking energy: -715.916
Base-Backbone interact. energy: -1.178
local terms energy: -814.928318
where:
bonds (distance) C4'-P energy: -152.236
bonds (distance) P-C4' energy: -153.347
flat angles C4'-P-C4' energy: -170.951
flat angles P-C4'-P energy: -122.238
tors. eta vs tors. theta energy: -216.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2414.042162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.042162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.042162 (E_RNA)
where:
Base-Base interactions energy: -1662.707
where: short stacking energy: -712.863
Base-Backbone interact. energy: -1.510
local terms energy: -749.825253
where:
bonds (distance) C4'-P energy: -141.286
bonds (distance) P-C4' energy: -150.428
flat angles C4'-P-C4' energy: -149.943
flat angles P-C4'-P energy: -104.760
tors. eta vs tors. theta energy: -203.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2377.790658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.790658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.790658 (E_RNA)
where:
Base-Base interactions energy: -1658.301
where: short stacking energy: -705.964
Base-Backbone interact. energy: 2.500
local terms energy: -721.990067
where:
bonds (distance) C4'-P energy: -138.735
bonds (distance) P-C4' energy: -131.364
flat angles C4'-P-C4' energy: -159.899
flat angles P-C4'-P energy: -106.609
tors. eta vs tors. theta energy: -185.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2228.891817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.891817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.891817 (E_RNA)
where:
Base-Base interactions energy: -1534.237
where: short stacking energy: -671.651
Base-Backbone interact. energy: -5.010
local terms energy: -689.644611
where:
bonds (distance) C4'-P energy: -128.767
bonds (distance) P-C4' energy: -133.870
flat angles C4'-P-C4' energy: -140.184
flat angles P-C4'-P energy: -100.798
tors. eta vs tors. theta energy: -186.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2014.172369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.172369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.172369 (E_RNA)
where:
Base-Base interactions energy: -1376.003
where: short stacking energy: -612.741
Base-Backbone interact. energy: -0.143
local terms energy: -638.026379
where:
bonds (distance) C4'-P energy: -126.556
bonds (distance) P-C4' energy: -126.078
flat angles C4'-P-C4' energy: -139.555
flat angles P-C4'-P energy: -83.878
tors. eta vs tors. theta energy: -161.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1864.157276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.157276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.157276 (E_RNA)
where:
Base-Base interactions energy: -1253.938
where: short stacking energy: -556.212
Base-Backbone interact. energy: -3.347
local terms energy: -606.872570
where:
bonds (distance) C4'-P energy: -118.287
bonds (distance) P-C4' energy: -134.965
flat angles C4'-P-C4' energy: -131.376
flat angles P-C4'-P energy: -81.978
tors. eta vs tors. theta energy: -140.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1687.690849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.690849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.690849 (E_RNA)
where:
Base-Base interactions energy: -1124.285
where: short stacking energy: -497.320
Base-Backbone interact. energy: 0.340
local terms energy: -563.745994
where:
bonds (distance) C4'-P energy: -110.083
bonds (distance) P-C4' energy: -127.131
flat angles C4'-P-C4' energy: -118.215
flat angles P-C4'-P energy: -89.574
tors. eta vs tors. theta energy: -118.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1462.024816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.024816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.024816 (E_RNA)
where:
Base-Base interactions energy: -947.377
where: short stacking energy: -445.550
Base-Backbone interact. energy: -3.264
local terms energy: -511.383181
where:
bonds (distance) C4'-P energy: -110.475
bonds (distance) P-C4' energy: -120.427
flat angles C4'-P-C4' energy: -116.025
flat angles P-C4'-P energy: -73.513
tors. eta vs tors. theta energy: -90.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1070.290703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.290703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.290703 (E_RNA)
where:
Base-Base interactions energy: -648.577
where: short stacking energy: -291.748
Base-Backbone interact. energy: 2.154
local terms energy: -423.867862
where:
bonds (distance) C4'-P energy: -103.707
bonds (distance) P-C4' energy: -118.345
flat angles C4'-P-C4' energy: -114.822
flat angles P-C4'-P energy: -56.286
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -752.752190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.752190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.752190 (E_RNA)
where:
Base-Base interactions energy: -380.414
where: short stacking energy: -255.411
Base-Backbone interact. energy: -0.770
local terms energy: -371.568048
where:
bonds (distance) C4'-P energy: -94.312
bonds (distance) P-C4' energy: -119.652
flat angles C4'-P-C4' energy: -115.554
flat angles P-C4'-P energy: -33.428
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2526.379874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.379874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.379874 (E_RNA)
where:
Base-Base interactions energy: -1717.072
where: short stacking energy: -763.114
Base-Backbone interact. energy: -1.695
local terms energy: -807.613009
where:
bonds (distance) C4'-P energy: -145.338
bonds (distance) P-C4' energy: -140.680
flat angles C4'-P-C4' energy: -170.038
flat angles P-C4'-P energy: -127.257
tors. eta vs tors. theta energy: -224.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2435.436933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.436933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.436933 (E_RNA)
where:
Base-Base interactions energy: -1698.080
where: short stacking energy: -704.787
Base-Backbone interact. energy: -2.399
local terms energy: -734.958617
where:
bonds (distance) C4'-P energy: -125.702
bonds (distance) P-C4' energy: -151.496
flat angles C4'-P-C4' energy: -161.815
flat angles P-C4'-P energy: -104.840
tors. eta vs tors. theta energy: -191.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2336.906752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.906752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.906752 (E_RNA)
where:
Base-Base interactions energy: -1615.016
where: short stacking energy: -691.509
Base-Backbone interact. energy: -1.513
local terms energy: -720.377493
where:
bonds (distance) C4'-P energy: -133.770
bonds (distance) P-C4' energy: -144.088
flat angles C4'-P-C4' energy: -161.040
flat angles P-C4'-P energy: -107.032
tors. eta vs tors. theta energy: -174.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2169.209516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.209516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.209516 (E_RNA)
where:
Base-Base interactions energy: -1489.869
where: short stacking energy: -655.040
Base-Backbone interact. energy: -0.931
local terms energy: -678.410098
where:
bonds (distance) C4'-P energy: -125.718
bonds (distance) P-C4' energy: -143.532
flat angles C4'-P-C4' energy: -138.927
flat angles P-C4'-P energy: -90.175
tors. eta vs tors. theta energy: -180.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2021.118114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.118114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.118114 (E_RNA)
where:
Base-Base interactions energy: -1353.690
where: short stacking energy: -591.282
Base-Backbone interact. energy: -2.255
local terms energy: -665.173404
where:
bonds (distance) C4'-P energy: -139.167
bonds (distance) P-C4' energy: -140.486
flat angles C4'-P-C4' energy: -141.887
flat angles P-C4'-P energy: -93.885
tors. eta vs tors. theta energy: -149.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1875.823952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.823952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.823952 (E_RNA)
where:
Base-Base interactions energy: -1245.037
where: short stacking energy: -557.138
Base-Backbone interact. energy: -2.852
local terms energy: -627.934765
where:
bonds (distance) C4'-P energy: -125.093
bonds (distance) P-C4' energy: -119.790
flat angles C4'-P-C4' energy: -143.676
flat angles P-C4'-P energy: -89.541
tors. eta vs tors. theta energy: -149.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1685.230789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.230789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.230789 (E_RNA)
where:
Base-Base interactions energy: -1113.935
where: short stacking energy: -481.097
Base-Backbone interact. energy: -2.257
local terms energy: -569.038916
where:
bonds (distance) C4'-P energy: -113.560
bonds (distance) P-C4' energy: -120.369
flat angles C4'-P-C4' energy: -121.859
flat angles P-C4'-P energy: -93.289
tors. eta vs tors. theta energy: -119.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1457.936591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.936591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.936591 (E_RNA)
where:
Base-Base interactions energy: -927.210
where: short stacking energy: -412.640
Base-Backbone interact. energy: 1.838
local terms energy: -532.564283
where:
bonds (distance) C4'-P energy: -113.229
bonds (distance) P-C4' energy: -129.924
flat angles C4'-P-C4' energy: -136.148
flat angles P-C4'-P energy: -81.897
tors. eta vs tors. theta energy: -71.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1157.868457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.868457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.868457 (E_RNA)
where:
Base-Base interactions energy: -689.690
where: short stacking energy: -374.420
Base-Backbone interact. energy: -2.558
local terms energy: -465.621138
where:
bonds (distance) C4'-P energy: -114.269
bonds (distance) P-C4' energy: -114.081
flat angles C4'-P-C4' energy: -98.145
flat angles P-C4'-P energy: -86.309
tors. eta vs tors. theta energy: -52.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -729.117936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.117936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.117936 (E_RNA)
where:
Base-Base interactions energy: -340.764
where: short stacking energy: -188.379
Base-Backbone interact. energy: -3.345
local terms energy: -385.008942
where:
bonds (distance) C4'-P energy: -129.612
bonds (distance) P-C4' energy: -114.570
flat angles C4'-P-C4' energy: -104.325
flat angles P-C4'-P energy: -49.274
tors. eta vs tors. theta energy: 12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2518.477891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.477891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.477891 (E_RNA)
where:
Base-Base interactions energy: -1715.267
where: short stacking energy: -764.250
Base-Backbone interact. energy: 4.345
local terms energy: -807.556023
where:
bonds (distance) C4'-P energy: -139.626
bonds (distance) P-C4' energy: -155.410
flat angles C4'-P-C4' energy: -165.708
flat angles P-C4'-P energy: -115.497
tors. eta vs tors. theta energy: -231.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2431.414476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.414476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.414476 (E_RNA)
where:
Base-Base interactions energy: -1694.734
where: short stacking energy: -697.549
Base-Backbone interact. energy: 0.593
local terms energy: -737.273362
where:
bonds (distance) C4'-P energy: -144.981
bonds (distance) P-C4' energy: -158.837
flat angles C4'-P-C4' energy: -163.371
flat angles P-C4'-P energy: -91.718
tors. eta vs tors. theta energy: -178.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2368.855134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.855134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.855134 (E_RNA)
where:
Base-Base interactions energy: -1635.881
where: short stacking energy: -705.849
Base-Backbone interact. energy: -3.074
local terms energy: -729.899983
where:
bonds (distance) C4'-P energy: -127.555
bonds (distance) P-C4' energy: -141.534
flat angles C4'-P-C4' energy: -154.969
flat angles P-C4'-P energy: -93.847
tors. eta vs tors. theta energy: -211.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2225.142789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.142789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.142789 (E_RNA)
where:
Base-Base interactions energy: -1505.619
where: short stacking energy: -656.472
Base-Backbone interact. energy: -0.946
local terms energy: -718.578115
where:
bonds (distance) C4'-P energy: -140.711
bonds (distance) P-C4' energy: -126.013
flat angles C4'-P-C4' energy: -155.735
flat angles P-C4'-P energy: -110.697
tors. eta vs tors. theta energy: -185.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1975.898893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.898893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.898893 (E_RNA)
where:
Base-Base interactions energy: -1299.477
where: short stacking energy: -575.898
Base-Backbone interact. energy: -1.962
local terms energy: -674.459775
where:
bonds (distance) C4'-P energy: -131.706
bonds (distance) P-C4' energy: -129.720
flat angles C4'-P-C4' energy: -141.642
flat angles P-C4'-P energy: -112.841
tors. eta vs tors. theta energy: -158.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1869.011055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.011055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.011055 (E_RNA)
where:
Base-Base interactions energy: -1249.613
where: short stacking energy: -588.074
Base-Backbone interact. energy: 2.001
local terms energy: -621.398633
where:
bonds (distance) C4'-P energy: -108.864
bonds (distance) P-C4' energy: -132.866
flat angles C4'-P-C4' energy: -156.333
flat angles P-C4'-P energy: -83.916
tors. eta vs tors. theta energy: -139.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1692.033826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.033826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.033826 (E_RNA)
where:
Base-Base interactions energy: -1080.920
where: short stacking energy: -487.898
Base-Backbone interact. energy: -2.668
local terms energy: -608.445435
where:
bonds (distance) C4'-P energy: -116.952
bonds (distance) P-C4' energy: -141.839
flat angles C4'-P-C4' energy: -144.087
flat angles P-C4'-P energy: -86.559
tors. eta vs tors. theta energy: -119.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1480.737213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.737213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.737213 (E_RNA)
where:
Base-Base interactions energy: -964.503
where: short stacking energy: -432.692
Base-Backbone interact. energy: -2.860
local terms energy: -513.373848
where:
bonds (distance) C4'-P energy: -122.898
bonds (distance) P-C4' energy: -120.211
flat angles C4'-P-C4' energy: -123.942
flat angles P-C4'-P energy: -62.258
tors. eta vs tors. theta energy: -84.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1144.674269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.674269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.674269 (E_RNA)
where:
Base-Base interactions energy: -672.038
where: short stacking energy: -310.329
Base-Backbone interact. energy: -3.013
local terms energy: -469.623938
where:
bonds (distance) C4'-P energy: -118.077
bonds (distance) P-C4' energy: -128.277
flat angles C4'-P-C4' energy: -114.634
flat angles P-C4'-P energy: -71.191
tors. eta vs tors. theta energy: -37.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -788.783045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.783045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.783045 (E_RNA)
where:
Base-Base interactions energy: -379.879
where: short stacking energy: -235.273
Base-Backbone interact. energy: 8.945
local terms energy: -417.848638
where:
bonds (distance) C4'-P energy: -110.211
bonds (distance) P-C4' energy: -110.704
flat angles C4'-P-C4' energy: -98.769
flat angles P-C4'-P energy: -77.242
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2514.491557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.491557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.491557 (E_RNA)
where:
Base-Base interactions energy: -1720.660
where: short stacking energy: -756.277
Base-Backbone interact. energy: 0.684
local terms energy: -794.515938
where:
bonds (distance) C4'-P energy: -143.584
bonds (distance) P-C4' energy: -150.132
flat angles C4'-P-C4' energy: -175.099
flat angles P-C4'-P energy: -102.512
tors. eta vs tors. theta energy: -223.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2383.935558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.935558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.935558 (E_RNA)
where:
Base-Base interactions energy: -1643.518
where: short stacking energy: -729.617
Base-Backbone interact. energy: -2.776
local terms energy: -737.641560
where:
bonds (distance) C4'-P energy: -115.884
bonds (distance) P-C4' energy: -141.654
flat angles C4'-P-C4' energy: -160.965
flat angles P-C4'-P energy: -107.165
tors. eta vs tors. theta energy: -211.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2370.171190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.171190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.171190 (E_RNA)
where:
Base-Base interactions energy: -1658.435
where: short stacking energy: -674.305
Base-Backbone interact. energy: -3.252
local terms energy: -708.483473
where:
bonds (distance) C4'-P energy: -115.214
bonds (distance) P-C4' energy: -143.836
flat angles C4'-P-C4' energy: -162.653
flat angles P-C4'-P energy: -105.674
tors. eta vs tors. theta energy: -181.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2229.227949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.227949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.227949 (E_RNA)
where:
Base-Base interactions energy: -1515.775
where: short stacking energy: -672.515
Base-Backbone interact. energy: -2.674
local terms energy: -710.779432
where:
bonds (distance) C4'-P energy: -118.251
bonds (distance) P-C4' energy: -143.735
flat angles C4'-P-C4' energy: -162.193
flat angles P-C4'-P energy: -91.840
tors. eta vs tors. theta energy: -194.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1978.193221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.193221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.193221 (E_RNA)
where:
Base-Base interactions energy: -1339.396
where: short stacking energy: -609.269
Base-Backbone interact. energy: -3.422
local terms energy: -635.375413
where:
bonds (distance) C4'-P energy: -112.818
bonds (distance) P-C4' energy: -132.227
flat angles C4'-P-C4' energy: -138.774
flat angles P-C4'-P energy: -104.069
tors. eta vs tors. theta energy: -147.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1905.665915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.665915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.665915 (E_RNA)
where:
Base-Base interactions energy: -1280.264
where: short stacking energy: -539.095
Base-Backbone interact. energy: -2.980
local terms energy: -622.421810
where:
bonds (distance) C4'-P energy: -124.154
bonds (distance) P-C4' energy: -130.775
flat angles C4'-P-C4' energy: -150.577
flat angles P-C4'-P energy: -70.725
tors. eta vs tors. theta energy: -146.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1663.593403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.593403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.593403 (E_RNA)
where:
Base-Base interactions energy: -1093.858
where: short stacking energy: -481.635
Base-Backbone interact. energy: -1.178
local terms energy: -568.557334
where:
bonds (distance) C4'-P energy: -107.671
bonds (distance) P-C4' energy: -124.182
flat angles C4'-P-C4' energy: -128.900
flat angles P-C4'-P energy: -83.864
tors. eta vs tors. theta energy: -123.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1452.212834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.212834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.212834 (E_RNA)
where:
Base-Base interactions energy: -914.856
where: short stacking energy: -417.699
Base-Backbone interact. energy: -1.044
local terms energy: -536.312467
where:
bonds (distance) C4'-P energy: -112.617
bonds (distance) P-C4' energy: -112.485
flat angles C4'-P-C4' energy: -132.880
flat angles P-C4'-P energy: -73.212
tors. eta vs tors. theta energy: -105.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1222.329148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.329148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.329148 (E_RNA)
where:
Base-Base interactions energy: -707.355
where: short stacking energy: -353.269
Base-Backbone interact. energy: 11.516
local terms energy: -526.490401
where:
bonds (distance) C4'-P energy: -108.658
bonds (distance) P-C4' energy: -130.954
flat angles C4'-P-C4' energy: -134.919
flat angles P-C4'-P energy: -97.155
tors. eta vs tors. theta energy: -54.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -855.164300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.164300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.164300 (E_RNA)
where:
Base-Base interactions energy: -424.333
where: short stacking energy: -244.474
Base-Backbone interact. energy: 0.166
local terms energy: -430.997288
where:
bonds (distance) C4'-P energy: -126.252
bonds (distance) P-C4' energy: -117.013
flat angles C4'-P-C4' energy: -118.689
flat angles P-C4'-P energy: -65.360
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2504.154810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.154810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.154810 (E_RNA)
where:
Base-Base interactions energy: -1702.086
where: short stacking energy: -747.537
Base-Backbone interact. energy: -0.506
local terms energy: -801.562990
where:
bonds (distance) C4'-P energy: -135.056
bonds (distance) P-C4' energy: -156.203
flat angles C4'-P-C4' energy: -167.507
flat angles P-C4'-P energy: -123.350
tors. eta vs tors. theta energy: -219.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2423.113415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.113415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.113415 (E_RNA)
where:
Base-Base interactions energy: -1683.838
where: short stacking energy: -727.646
Base-Backbone interact. energy: -2.659
local terms energy: -736.615519
where:
bonds (distance) C4'-P energy: -130.462
bonds (distance) P-C4' energy: -139.628
flat angles C4'-P-C4' energy: -157.836
flat angles P-C4'-P energy: -112.858
tors. eta vs tors. theta energy: -195.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2403.335081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.335081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.335081 (E_RNA)
where:
Base-Base interactions energy: -1667.272
where: short stacking energy: -696.714
Base-Backbone interact. energy: -1.844
local terms energy: -734.218541
where:
bonds (distance) C4'-P energy: -142.788
bonds (distance) P-C4' energy: -151.294
flat angles C4'-P-C4' energy: -159.289
flat angles P-C4'-P energy: -91.643
tors. eta vs tors. theta energy: -189.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2226.706958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.706958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.706958 (E_RNA)
where:
Base-Base interactions energy: -1518.753
where: short stacking energy: -687.327
Base-Backbone interact. energy: -1.098
local terms energy: -706.855717
where:
bonds (distance) C4'-P energy: -137.872
bonds (distance) P-C4' energy: -132.916
flat angles C4'-P-C4' energy: -153.752
flat angles P-C4'-P energy: -100.160
tors. eta vs tors. theta energy: -182.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2002.901799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.901799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.901799 (E_RNA)
where:
Base-Base interactions energy: -1332.976
where: short stacking energy: -621.629
Base-Backbone interact. energy: -2.854
local terms energy: -667.071432
where:
bonds (distance) C4'-P energy: -122.675
bonds (distance) P-C4' energy: -133.265
flat angles C4'-P-C4' energy: -145.064
flat angles P-C4'-P energy: -97.982
tors. eta vs tors. theta energy: -168.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1895.508275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.508275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.508275 (E_RNA)
where:
Base-Base interactions energy: -1244.575
where: short stacking energy: -574.720
Base-Backbone interact. energy: 1.743
local terms energy: -652.676601
where:
bonds (distance) C4'-P energy: -138.030
bonds (distance) P-C4' energy: -119.132
flat angles C4'-P-C4' energy: -147.644
flat angles P-C4'-P energy: -96.261
tors. eta vs tors. theta energy: -151.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1638.735881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.735881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.735881 (E_RNA)
where:
Base-Base interactions energy: -1041.645
where: short stacking energy: -469.365
Base-Backbone interact. energy: -5.542
local terms energy: -591.548264
where:
bonds (distance) C4'-P energy: -125.384
bonds (distance) P-C4' energy: -119.675
flat angles C4'-P-C4' energy: -149.858
flat angles P-C4'-P energy: -82.909
tors. eta vs tors. theta energy: -113.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1517.447444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.447444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.447444 (E_RNA)
where:
Base-Base interactions energy: -974.104
where: short stacking energy: -411.207
Base-Backbone interact. energy: -2.901
local terms energy: -540.442877
where:
bonds (distance) C4'-P energy: -123.119
bonds (distance) P-C4' energy: -137.816
flat angles C4'-P-C4' energy: -122.733
flat angles P-C4'-P energy: -68.945
tors. eta vs tors. theta energy: -87.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1201.936069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.936069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.936069 (E_RNA)
where:
Base-Base interactions energy: -735.147
where: short stacking energy: -367.302
Base-Backbone interact. energy: -1.178
local terms energy: -465.611426
where:
bonds (distance) C4'-P energy: -118.694
bonds (distance) P-C4' energy: -121.409
flat angles C4'-P-C4' energy: -109.392
flat angles P-C4'-P energy: -58.182
tors. eta vs tors. theta energy: -57.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -867.773180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.773180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.773180 (E_RNA)
where:
Base-Base interactions energy: -496.366
where: short stacking energy: -276.542
Base-Backbone interact. energy: -1.324
local terms energy: -370.082594
where:
bonds (distance) C4'-P energy: -101.674
bonds (distance) P-C4' energy: -114.217
flat angles C4'-P-C4' energy: -105.320
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2545.788019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.788019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.788019 (E_RNA)
where:
Base-Base interactions energy: -1735.984
where: short stacking energy: -796.709
Base-Backbone interact. energy: -0.828
local terms energy: -808.975947
where:
bonds (distance) C4'-P energy: -154.044
bonds (distance) P-C4' energy: -140.656
flat angles C4'-P-C4' energy: -170.665
flat angles P-C4'-P energy: -112.738
tors. eta vs tors. theta energy: -230.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2418.093736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.093736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.093736 (E_RNA)
where:
Base-Base interactions energy: -1650.965
where: short stacking energy: -692.922
Base-Backbone interact. energy: -3.177
local terms energy: -763.951676
where:
bonds (distance) C4'-P energy: -154.472
bonds (distance) P-C4' energy: -144.827
flat angles C4'-P-C4' energy: -151.488
flat angles P-C4'-P energy: -101.656
tors. eta vs tors. theta energy: -211.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2357.360467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.360467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.360467 (E_RNA)
where:
Base-Base interactions energy: -1638.854
where: short stacking energy: -673.475
Base-Backbone interact. energy: 2.093
local terms energy: -720.599629
where:
bonds (distance) C4'-P energy: -135.307
bonds (distance) P-C4' energy: -146.057
flat angles C4'-P-C4' energy: -162.960
flat angles P-C4'-P energy: -96.502
tors. eta vs tors. theta energy: -179.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2216.506329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.506329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.506329 (E_RNA)
where:
Base-Base interactions energy: -1511.963
where: short stacking energy: -676.783
Base-Backbone interact. energy: -4.686
local terms energy: -699.856711
where:
bonds (distance) C4'-P energy: -134.543
bonds (distance) P-C4' energy: -122.904
flat angles C4'-P-C4' energy: -156.142
flat angles P-C4'-P energy: -88.051
tors. eta vs tors. theta energy: -198.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2046.987581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.987581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.987581 (E_RNA)
where:
Base-Base interactions energy: -1355.882
where: short stacking energy: -612.633
Base-Backbone interact. energy: -1.516
local terms energy: -689.590082
where:
bonds (distance) C4'-P energy: -147.487
bonds (distance) P-C4' energy: -133.443
flat angles C4'-P-C4' energy: -145.267
flat angles P-C4'-P energy: -97.357
tors. eta vs tors. theta energy: -166.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1861.916050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.916050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.916050 (E_RNA)
where:
Base-Base interactions energy: -1244.363
where: short stacking energy: -556.650
Base-Backbone interact. energy: -4.405
local terms energy: -613.148217
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -121.013
flat angles C4'-P-C4' energy: -140.271
flat angles P-C4'-P energy: -89.036
tors. eta vs tors. theta energy: -140.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1665.099222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.099222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.099222 (E_RNA)
where:
Base-Base interactions energy: -1087.975
where: short stacking energy: -476.475
Base-Backbone interact. energy: 1.465
local terms energy: -578.589059
where:
bonds (distance) C4'-P energy: -119.793
bonds (distance) P-C4' energy: -113.267
flat angles C4'-P-C4' energy: -138.196
flat angles P-C4'-P energy: -97.490
tors. eta vs tors. theta energy: -109.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1540.359844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.359844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.359844 (E_RNA)
where:
Base-Base interactions energy: -967.715
where: short stacking energy: -442.805
Base-Backbone interact. energy: 2.134
local terms energy: -574.778723
where:
bonds (distance) C4'-P energy: -139.967
bonds (distance) P-C4' energy: -121.707
flat angles C4'-P-C4' energy: -126.930
flat angles P-C4'-P energy: -72.700
tors. eta vs tors. theta energy: -113.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1166.747866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.747866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.747866 (E_RNA)
where:
Base-Base interactions energy: -710.272
where: short stacking energy: -326.838
Base-Backbone interact. energy: 3.288
local terms energy: -459.763507
where:
bonds (distance) C4'-P energy: -108.200
bonds (distance) P-C4' energy: -120.995
flat angles C4'-P-C4' energy: -117.684
flat angles P-C4'-P energy: -65.023
tors. eta vs tors. theta energy: -47.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -926.956568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.956568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.956568 (E_RNA)
where:
Base-Base interactions energy: -521.541
where: short stacking energy: -250.350
Base-Backbone interact. energy: 4.222
local terms energy: -409.637594
where:
bonds (distance) C4'-P energy: -125.367
bonds (distance) P-C4' energy: -121.507
flat angles C4'-P-C4' energy: -96.430
flat angles P-C4'-P energy: -58.749
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2512.890684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.890684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.890684 (E_RNA)
where:
Base-Base interactions energy: -1716.031
where: short stacking energy: -760.196
Base-Backbone interact. energy: -3.662
local terms energy: -793.197510
where:
bonds (distance) C4'-P energy: -148.855
bonds (distance) P-C4' energy: -129.494
flat angles C4'-P-C4' energy: -164.631
flat angles P-C4'-P energy: -120.974
tors. eta vs tors. theta energy: -229.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2410.131072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.131072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.131072 (E_RNA)
where:
Base-Base interactions energy: -1664.905
where: short stacking energy: -717.764
Base-Backbone interact. energy: 3.109
local terms energy: -748.334998
where:
bonds (distance) C4'-P energy: -141.324
bonds (distance) P-C4' energy: -145.413
flat angles C4'-P-C4' energy: -156.090
flat angles P-C4'-P energy: -116.052
tors. eta vs tors. theta energy: -189.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2351.309032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.309032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.309032 (E_RNA)
where:
Base-Base interactions energy: -1632.976
where: short stacking energy: -667.703
Base-Backbone interact. energy: -3.866
local terms energy: -714.466328
where:
bonds (distance) C4'-P energy: -137.255
bonds (distance) P-C4' energy: -129.479
flat angles C4'-P-C4' energy: -163.782
flat angles P-C4'-P energy: -98.452
tors. eta vs tors. theta energy: -185.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2186.817680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.817680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.817680 (E_RNA)
where:
Base-Base interactions energy: -1468.748
where: short stacking energy: -646.751
Base-Backbone interact. energy: 0.088
local terms energy: -718.158508
where:
bonds (distance) C4'-P energy: -132.466
bonds (distance) P-C4' energy: -143.924
flat angles C4'-P-C4' energy: -145.938
flat angles P-C4'-P energy: -103.096
tors. eta vs tors. theta energy: -192.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1981.272551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.272551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.272551 (E_RNA)
where:
Base-Base interactions energy: -1336.665
where: short stacking energy: -603.332
Base-Backbone interact. energy: -3.113
local terms energy: -641.494428
where:
bonds (distance) C4'-P energy: -121.399
bonds (distance) P-C4' energy: -123.945
flat angles C4'-P-C4' energy: -143.555
flat angles P-C4'-P energy: -86.039
tors. eta vs tors. theta energy: -166.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1834.556466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.556466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.556466 (E_RNA)
where:
Base-Base interactions energy: -1222.974
where: short stacking energy: -533.236
Base-Backbone interact. energy: -2.640
local terms energy: -608.942185
where:
bonds (distance) C4'-P energy: -132.555
bonds (distance) P-C4' energy: -123.875
flat angles C4'-P-C4' energy: -135.019
flat angles P-C4'-P energy: -78.450
tors. eta vs tors. theta energy: -139.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1577.014766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.014766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.014766 (E_RNA)
where:
Base-Base interactions energy: -1032.195
where: short stacking energy: -452.715
Base-Backbone interact. energy: 0.672
local terms energy: -545.492413
where:
bonds (distance) C4'-P energy: -129.531
bonds (distance) P-C4' energy: -119.810
flat angles C4'-P-C4' energy: -114.562
flat angles P-C4'-P energy: -83.954
tors. eta vs tors. theta energy: -97.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1522.662080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.662080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.662080 (E_RNA)
where:
Base-Base interactions energy: -982.413
where: short stacking energy: -454.379
Base-Backbone interact. energy: -2.877
local terms energy: -537.371686
where:
bonds (distance) C4'-P energy: -125.995
bonds (distance) P-C4' energy: -119.289
flat angles C4'-P-C4' energy: -126.617
flat angles P-C4'-P energy: -67.134
tors. eta vs tors. theta energy: -98.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1148.761756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.761756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.761756 (E_RNA)
where:
Base-Base interactions energy: -655.471
where: short stacking energy: -311.588
Base-Backbone interact. energy: -0.213
local terms energy: -493.078238
where:
bonds (distance) C4'-P energy: -129.760
bonds (distance) P-C4' energy: -115.836
flat angles C4'-P-C4' energy: -120.739
flat angles P-C4'-P energy: -82.765
tors. eta vs tors. theta energy: -43.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -878.523920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.523920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.523920 (E_RNA)
where:
Base-Base interactions energy: -479.835
where: short stacking energy: -282.748
Base-Backbone interact. energy: 0.438
local terms energy: -399.126822
where:
bonds (distance) C4'-P energy: -89.297
bonds (distance) P-C4' energy: -117.960
flat angles C4'-P-C4' energy: -91.908
flat angles P-C4'-P energy: -70.986
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2498.179321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.179321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.179321 (E_RNA)
where:
Base-Base interactions energy: -1715.001
where: short stacking energy: -739.625
Base-Backbone interact. energy: -0.775
local terms energy: -782.404121
where:
bonds (distance) C4'-P energy: -151.156
bonds (distance) P-C4' energy: -139.176
flat angles C4'-P-C4' energy: -159.920
flat angles P-C4'-P energy: -113.413
tors. eta vs tors. theta energy: -218.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2375.396352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.396352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.396352 (E_RNA)
where:
Base-Base interactions energy: -1639.398
where: short stacking energy: -679.923
Base-Backbone interact. energy: -0.752
local terms energy: -735.246116
where:
bonds (distance) C4'-P energy: -139.112
bonds (distance) P-C4' energy: -131.983
flat angles C4'-P-C4' energy: -158.652
flat angles P-C4'-P energy: -121.780
tors. eta vs tors. theta energy: -183.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2356.952324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.952324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.952324 (E_RNA)
where:
Base-Base interactions energy: -1637.682
where: short stacking energy: -683.613
Base-Backbone interact. energy: -3.435
local terms energy: -715.836098
where:
bonds (distance) C4'-P energy: -134.658
bonds (distance) P-C4' energy: -134.058
flat angles C4'-P-C4' energy: -159.607
flat angles P-C4'-P energy: -102.848
tors. eta vs tors. theta energy: -184.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2167.798498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.798498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.798498 (E_RNA)
where:
Base-Base interactions energy: -1438.246
where: short stacking energy: -621.126
Base-Backbone interact. energy: 2.418
local terms energy: -731.970821
where:
bonds (distance) C4'-P energy: -138.718
bonds (distance) P-C4' energy: -146.303
flat angles C4'-P-C4' energy: -158.306
flat angles P-C4'-P energy: -112.060
tors. eta vs tors. theta energy: -176.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1982.324671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.324671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.324671 (E_RNA)
where:
Base-Base interactions energy: -1318.835
where: short stacking energy: -579.403
Base-Backbone interact. energy: -1.297
local terms energy: -662.192497
where:
bonds (distance) C4'-P energy: -128.269
bonds (distance) P-C4' energy: -132.011
flat angles C4'-P-C4' energy: -133.861
flat angles P-C4'-P energy: -106.760
tors. eta vs tors. theta energy: -161.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1905.371118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.371118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.371118 (E_RNA)
where:
Base-Base interactions energy: -1273.119
where: short stacking energy: -581.074
Base-Backbone interact. energy: -0.485
local terms energy: -631.767353
where:
bonds (distance) C4'-P energy: -147.860
bonds (distance) P-C4' energy: -109.435
flat angles C4'-P-C4' energy: -148.758
flat angles P-C4'-P energy: -77.052
tors. eta vs tors. theta energy: -148.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1527.602644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.602644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.602644 (E_RNA)
where:
Base-Base interactions energy: -982.847
where: short stacking energy: -453.232
Base-Backbone interact. energy: 2.955
local terms energy: -547.711020
where:
bonds (distance) C4'-P energy: -109.984
bonds (distance) P-C4' energy: -120.974
flat angles C4'-P-C4' energy: -127.943
flat angles P-C4'-P energy: -81.860
tors. eta vs tors. theta energy: -106.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1537.262095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.262095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.262095 (E_RNA)
where:
Base-Base interactions energy: -952.326
where: short stacking energy: -438.605
Base-Backbone interact. energy: 2.073
local terms energy: -587.009034
where:
bonds (distance) C4'-P energy: -120.440
bonds (distance) P-C4' energy: -127.398
flat angles C4'-P-C4' energy: -138.036
flat angles P-C4'-P energy: -98.146
tors. eta vs tors. theta energy: -102.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1113.652528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.652528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.652528 (E_RNA)
where:
Base-Base interactions energy: -666.216
where: short stacking energy: -326.863
Base-Backbone interact. energy: 0.507
local terms energy: -447.942867
where:
bonds (distance) C4'-P energy: -120.952
bonds (distance) P-C4' energy: -120.077
flat angles C4'-P-C4' energy: -102.650
flat angles P-C4'-P energy: -75.404
tors. eta vs tors. theta energy: -28.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -832.835789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.835789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.835789 (E_RNA)
where:
Base-Base interactions energy: -454.632
where: short stacking energy: -249.835
Base-Backbone interact. energy: -2.985
local terms energy: -375.219320
where:
bonds (distance) C4'-P energy: -125.050
bonds (distance) P-C4' energy: -113.446
flat angles C4'-P-C4' energy: -84.613
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2506.099879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.099879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.099879 (E_RNA)
where:
Base-Base interactions energy: -1726.934
where: short stacking energy: -757.891
Base-Backbone interact. energy: -3.372
local terms energy: -775.793268
where:
bonds (distance) C4'-P energy: -135.833
bonds (distance) P-C4' energy: -154.134
flat angles C4'-P-C4' energy: -156.479
flat angles P-C4'-P energy: -109.132
tors. eta vs tors. theta energy: -220.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2421.248766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.248766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.248766 (E_RNA)
where:
Base-Base interactions energy: -1672.507
where: short stacking energy: -702.924
Base-Backbone interact. energy: -0.305
local terms energy: -748.437438
where:
bonds (distance) C4'-P energy: -152.412
bonds (distance) P-C4' energy: -137.662
flat angles C4'-P-C4' energy: -142.957
flat angles P-C4'-P energy: -114.693
tors. eta vs tors. theta energy: -200.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2368.906721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.906721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.906721 (E_RNA)
where:
Base-Base interactions energy: -1630.092
where: short stacking energy: -718.785
Base-Backbone interact. energy: -2.598
local terms energy: -736.217045
where:
bonds (distance) C4'-P energy: -141.010
bonds (distance) P-C4' energy: -139.166
flat angles C4'-P-C4' energy: -154.350
flat angles P-C4'-P energy: -102.464
tors. eta vs tors. theta energy: -199.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2123.355047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.355047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.355047 (E_RNA)
where:
Base-Base interactions energy: -1422.733
where: short stacking energy: -617.563
Base-Backbone interact. energy: -3.543
local terms energy: -697.078687
where:
bonds (distance) C4'-P energy: -138.946
bonds (distance) P-C4' energy: -144.873
flat angles C4'-P-C4' energy: -142.505
flat angles P-C4'-P energy: -100.198
tors. eta vs tors. theta energy: -170.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1952.116034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.116034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.116034 (E_RNA)
where:
Base-Base interactions energy: -1298.524
where: short stacking energy: -554.410
Base-Backbone interact. energy: -6.170
local terms energy: -647.421988
where:
bonds (distance) C4'-P energy: -140.403
bonds (distance) P-C4' energy: -134.501
flat angles C4'-P-C4' energy: -147.584
flat angles P-C4'-P energy: -90.883
tors. eta vs tors. theta energy: -134.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1894.794536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.794536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.794536 (E_RNA)
where:
Base-Base interactions energy: -1263.103
where: short stacking energy: -564.150
Base-Backbone interact. energy: -3.857
local terms energy: -627.835083
where:
bonds (distance) C4'-P energy: -139.783
bonds (distance) P-C4' energy: -122.313
flat angles C4'-P-C4' energy: -123.784
flat angles P-C4'-P energy: -99.206
tors. eta vs tors. theta energy: -142.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1570.574884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.574884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.574884 (E_RNA)
where:
Base-Base interactions energy: -1001.484
where: short stacking energy: -451.741
Base-Backbone interact. energy: 1.566
local terms energy: -570.656129
where:
bonds (distance) C4'-P energy: -134.418
bonds (distance) P-C4' energy: -121.213
flat angles C4'-P-C4' energy: -133.896
flat angles P-C4'-P energy: -80.994
tors. eta vs tors. theta energy: -100.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1417.299914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.299914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.299914 (E_RNA)
where:
Base-Base interactions energy: -886.029
where: short stacking energy: -390.133
Base-Backbone interact. energy: 0.553
local terms energy: -531.824255
where:
bonds (distance) C4'-P energy: -128.057
bonds (distance) P-C4' energy: -124.811
flat angles C4'-P-C4' energy: -129.539
flat angles P-C4'-P energy: -64.426
tors. eta vs tors. theta energy: -84.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1138.709190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.709190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.709190 (E_RNA)
where:
Base-Base interactions energy: -661.612
where: short stacking energy: -339.038
Base-Backbone interact. energy: -1.309
local terms energy: -475.788082
where:
bonds (distance) C4'-P energy: -110.290
bonds (distance) P-C4' energy: -140.633
flat angles C4'-P-C4' energy: -124.224
flat angles P-C4'-P energy: -57.233
tors. eta vs tors. theta energy: -43.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -867.989102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.989102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.989102 (E_RNA)
where:
Base-Base interactions energy: -428.693
where: short stacking energy: -216.790
Base-Backbone interact. energy: -1.334
local terms energy: -437.962197
where:
bonds (distance) C4'-P energy: -105.916
bonds (distance) P-C4' energy: -122.820
flat angles C4'-P-C4' energy: -123.164
flat angles P-C4'-P energy: -64.572
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2512.419901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.419901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.419901 (E_RNA)
where:
Base-Base interactions energy: -1721.038
where: short stacking energy: -771.664
Base-Backbone interact. energy: -1.631
local terms energy: -789.751127
where:
bonds (distance) C4'-P energy: -133.252
bonds (distance) P-C4' energy: -148.232
flat angles C4'-P-C4' energy: -160.482
flat angles P-C4'-P energy: -118.051
tors. eta vs tors. theta energy: -229.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2454.632373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.632373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.632373 (E_RNA)
where:
Base-Base interactions energy: -1685.835
where: short stacking energy: -724.991
Base-Backbone interact. energy: -5.101
local terms energy: -763.696521
where:
bonds (distance) C4'-P energy: -147.897
bonds (distance) P-C4' energy: -144.885
flat angles C4'-P-C4' energy: -161.708
flat angles P-C4'-P energy: -102.522
tors. eta vs tors. theta energy: -206.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2372.504184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.504184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.504184 (E_RNA)
where:
Base-Base interactions energy: -1645.875
where: short stacking energy: -712.619
Base-Backbone interact. energy: 1.431
local terms energy: -728.060085
where:
bonds (distance) C4'-P energy: -144.517
bonds (distance) P-C4' energy: -127.637
flat angles C4'-P-C4' energy: -156.479
flat angles P-C4'-P energy: -95.010
tors. eta vs tors. theta energy: -204.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2164.903625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.903625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.903625 (E_RNA)
where:
Base-Base interactions energy: -1461.974
where: short stacking energy: -635.458
Base-Backbone interact. energy: -3.028
local terms energy: -699.901205
where:
bonds (distance) C4'-P energy: -138.987
bonds (distance) P-C4' energy: -120.963
flat angles C4'-P-C4' energy: -150.387
flat angles P-C4'-P energy: -102.429
tors. eta vs tors. theta energy: -187.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1940.231132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.231132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.231132 (E_RNA)
where:
Base-Base interactions energy: -1276.470
where: short stacking energy: -564.657
Base-Backbone interact. energy: 1.361
local terms energy: -665.122102
where:
bonds (distance) C4'-P energy: -132.469
bonds (distance) P-C4' energy: -140.969
flat angles C4'-P-C4' energy: -140.717
flat angles P-C4'-P energy: -98.027
tors. eta vs tors. theta energy: -152.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1931.231657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.231657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.231657 (E_RNA)
where:
Base-Base interactions energy: -1285.527
where: short stacking energy: -582.697
Base-Backbone interact. energy: -1.102
local terms energy: -644.602728
where:
bonds (distance) C4'-P energy: -140.006
bonds (distance) P-C4' energy: -139.336
flat angles C4'-P-C4' energy: -134.161
flat angles P-C4'-P energy: -91.354
tors. eta vs tors. theta energy: -139.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1597.323584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.323584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.323584 (E_RNA)
where:
Base-Base interactions energy: -1046.355
where: short stacking energy: -474.131
Base-Backbone interact. energy: -2.533
local terms energy: -548.436501
where:
bonds (distance) C4'-P energy: -113.333
bonds (distance) P-C4' energy: -129.067
flat angles C4'-P-C4' energy: -127.943
flat angles P-C4'-P energy: -82.989
tors. eta vs tors. theta energy: -95.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1430.590983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.590983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.590983 (E_RNA)
where:
Base-Base interactions energy: -890.248
where: short stacking energy: -388.419
Base-Backbone interact. energy: 1.494
local terms energy: -541.837393
where:
bonds (distance) C4'-P energy: -118.206
bonds (distance) P-C4' energy: -126.708
flat angles C4'-P-C4' energy: -130.410
flat angles P-C4'-P energy: -93.214
tors. eta vs tors. theta energy: -73.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1129.443841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.443841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.443841 (E_RNA)
where:
Base-Base interactions energy: -623.319
where: short stacking energy: -313.355
Base-Backbone interact. energy: -0.321
local terms energy: -505.803817
where:
bonds (distance) C4'-P energy: -116.902
bonds (distance) P-C4' energy: -149.440
flat angles C4'-P-C4' energy: -120.811
flat angles P-C4'-P energy: -72.120
tors. eta vs tors. theta energy: -46.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -914.009634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.009634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.009634 (E_RNA)
where:
Base-Base interactions energy: -481.600
where: short stacking energy: -239.388
Base-Backbone interact. energy: 6.373
local terms energy: -438.782226
where:
bonds (distance) C4'-P energy: -127.868
bonds (distance) P-C4' energy: -124.416
flat angles C4'-P-C4' energy: -109.986
flat angles P-C4'-P energy: -68.606
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2511.944307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.944307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.944307 (E_RNA)
where:
Base-Base interactions energy: -1728.946
where: short stacking energy: -757.911
Base-Backbone interact. energy: -1.628
local terms energy: -781.370787
where:
bonds (distance) C4'-P energy: -137.062
bonds (distance) P-C4' energy: -158.275
flat angles C4'-P-C4' energy: -165.268
flat angles P-C4'-P energy: -100.293
tors. eta vs tors. theta energy: -220.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2439.917357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.917357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.917357 (E_RNA)
where:
Base-Base interactions energy: -1698.500
where: short stacking energy: -711.679
Base-Backbone interact. energy: -2.017
local terms energy: -739.400484
where:
bonds (distance) C4'-P energy: -132.379
bonds (distance) P-C4' energy: -144.000
flat angles C4'-P-C4' energy: -167.125
flat angles P-C4'-P energy: -90.993
tors. eta vs tors. theta energy: -204.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2387.286890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.286890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.286890 (E_RNA)
where:
Base-Base interactions energy: -1658.578
where: short stacking energy: -708.820
Base-Backbone interact. energy: -2.292
local terms energy: -726.416868
where:
bonds (distance) C4'-P energy: -124.576
bonds (distance) P-C4' energy: -135.912
flat angles C4'-P-C4' energy: -167.425
flat angles P-C4'-P energy: -101.879
tors. eta vs tors. theta energy: -196.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2171.392638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.392638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.392638 (E_RNA)
where:
Base-Base interactions energy: -1489.221
where: short stacking energy: -654.299
Base-Backbone interact. energy: -0.050
local terms energy: -682.121663
where:
bonds (distance) C4'-P energy: -114.436
bonds (distance) P-C4' energy: -120.570
flat angles C4'-P-C4' energy: -156.378
flat angles P-C4'-P energy: -99.778
tors. eta vs tors. theta energy: -190.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1944.092001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.092001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.092001 (E_RNA)
where:
Base-Base interactions energy: -1292.936
where: short stacking energy: -571.292
Base-Backbone interact. energy: 0.588
local terms energy: -651.743939
where:
bonds (distance) C4'-P energy: -132.134
bonds (distance) P-C4' energy: -126.459
flat angles C4'-P-C4' energy: -147.231
flat angles P-C4'-P energy: -100.077
tors. eta vs tors. theta energy: -145.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1910.976306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.976306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.976306 (E_RNA)
where:
Base-Base interactions energy: -1304.028
where: short stacking energy: -578.429
Base-Backbone interact. energy: 5.126
local terms energy: -612.073639
where:
bonds (distance) C4'-P energy: -109.668
bonds (distance) P-C4' energy: -140.170
flat angles C4'-P-C4' energy: -135.569
flat angles P-C4'-P energy: -85.844
tors. eta vs tors. theta energy: -140.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1627.477670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.477670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.477670 (E_RNA)
where:
Base-Base interactions energy: -1050.722
where: short stacking energy: -466.010
Base-Backbone interact. energy: -2.181
local terms energy: -574.574558
where:
bonds (distance) C4'-P energy: -119.325
bonds (distance) P-C4' energy: -119.233
flat angles C4'-P-C4' energy: -140.242
flat angles P-C4'-P energy: -83.712
tors. eta vs tors. theta energy: -112.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1419.245453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.245453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.245453 (E_RNA)
where:
Base-Base interactions energy: -880.925
where: short stacking energy: -413.015
Base-Backbone interact. energy: -4.293
local terms energy: -534.027128
where:
bonds (distance) C4'-P energy: -130.452
bonds (distance) P-C4' energy: -121.536
flat angles C4'-P-C4' energy: -130.834
flat angles P-C4'-P energy: -74.535
tors. eta vs tors. theta energy: -76.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1143.877816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.877816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.877816 (E_RNA)
where:
Base-Base interactions energy: -668.058
where: short stacking energy: -331.637
Base-Backbone interact. energy: -0.331
local terms energy: -475.488871
where:
bonds (distance) C4'-P energy: -113.062
bonds (distance) P-C4' energy: -114.049
flat angles C4'-P-C4' energy: -103.635
flat angles P-C4'-P energy: -97.442
tors. eta vs tors. theta energy: -47.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -863.391878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.391878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.391878 (E_RNA)
where:
Base-Base interactions energy: -483.715
where: short stacking energy: -221.220
Base-Backbone interact. energy: -1.496
local terms energy: -378.180586
where:
bonds (distance) C4'-P energy: -111.556
bonds (distance) P-C4' energy: -120.415
flat angles C4'-P-C4' energy: -101.306
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: 16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2539.434086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.434086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.434086 (E_RNA)
where:
Base-Base interactions energy: -1732.086
where: short stacking energy: -774.984
Base-Backbone interact. energy: -3.991
local terms energy: -803.357393
where:
bonds (distance) C4'-P energy: -139.388
bonds (distance) P-C4' energy: -138.595
flat angles C4'-P-C4' energy: -173.643
flat angles P-C4'-P energy: -122.834
tors. eta vs tors. theta energy: -228.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2422.824535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.824535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.824535 (E_RNA)
where:
Base-Base interactions energy: -1632.048
where: short stacking energy: -704.024
Base-Backbone interact. energy: -1.144
local terms energy: -789.632515
where:
bonds (distance) C4'-P energy: -152.081
bonds (distance) P-C4' energy: -153.717
flat angles C4'-P-C4' energy: -168.796
flat angles P-C4'-P energy: -101.302
tors. eta vs tors. theta energy: -213.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2391.827690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.827690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.827690 (E_RNA)
where:
Base-Base interactions energy: -1670.712
where: short stacking energy: -702.062
Base-Backbone interact. energy: -3.643
local terms energy: -717.472991
where:
bonds (distance) C4'-P energy: -133.965
bonds (distance) P-C4' energy: -134.578
flat angles C4'-P-C4' energy: -163.949
flat angles P-C4'-P energy: -81.601
tors. eta vs tors. theta energy: -203.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2162.592592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.592592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.592592 (E_RNA)
where:
Base-Base interactions energy: -1440.945
where: short stacking energy: -639.286
Base-Backbone interact. energy: -2.547
local terms energy: -719.100421
where:
bonds (distance) C4'-P energy: -139.498
bonds (distance) P-C4' energy: -134.222
flat angles C4'-P-C4' energy: -153.652
flat angles P-C4'-P energy: -110.762
tors. eta vs tors. theta energy: -180.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1963.537374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.537374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.537374 (E_RNA)
where:
Base-Base interactions energy: -1300.550
where: short stacking energy: -581.723
Base-Backbone interact. energy: 0.163
local terms energy: -663.149675
where:
bonds (distance) C4'-P energy: -133.290
bonds (distance) P-C4' energy: -135.448
flat angles C4'-P-C4' energy: -141.662
flat angles P-C4'-P energy: -105.466
tors. eta vs tors. theta energy: -147.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1900.900204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.900204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.900204 (E_RNA)
where:
Base-Base interactions energy: -1287.041
where: short stacking energy: -551.978
Base-Backbone interact. energy: -2.244
local terms energy: -611.614990
where:
bonds (distance) C4'-P energy: -109.722
bonds (distance) P-C4' energy: -140.679
flat angles C4'-P-C4' energy: -138.262
flat angles P-C4'-P energy: -87.601
tors. eta vs tors. theta energy: -135.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1668.420272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.420272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.420272 (E_RNA)
where:
Base-Base interactions energy: -1073.527
where: short stacking energy: -495.610
Base-Backbone interact. energy: 0.580
local terms energy: -595.472715
where:
bonds (distance) C4'-P energy: -115.445
bonds (distance) P-C4' energy: -120.021
flat angles C4'-P-C4' energy: -150.059
flat angles P-C4'-P energy: -82.821
tors. eta vs tors. theta energy: -127.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1414.793465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.793465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.793465 (E_RNA)
where:
Base-Base interactions energy: -884.521
where: short stacking energy: -402.855
Base-Backbone interact. energy: -1.439
local terms energy: -528.833316
where:
bonds (distance) C4'-P energy: -111.690
bonds (distance) P-C4' energy: -123.354
flat angles C4'-P-C4' energy: -117.976
flat angles P-C4'-P energy: -94.521
tors. eta vs tors. theta energy: -81.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1133.840661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.840661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.840661 (E_RNA)
where:
Base-Base interactions energy: -657.629
where: short stacking energy: -338.526
Base-Backbone interact. energy: -4.132
local terms energy: -472.079585
where:
bonds (distance) C4'-P energy: -122.247
bonds (distance) P-C4' energy: -119.591
flat angles C4'-P-C4' energy: -97.351
flat angles P-C4'-P energy: -74.649
tors. eta vs tors. theta energy: -58.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -854.160148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.160148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.160148 (E_RNA)
where:
Base-Base interactions energy: -444.082
where: short stacking energy: -235.166
Base-Backbone interact. energy: 1.708
local terms energy: -411.785399
where:
bonds (distance) C4'-P energy: -122.521
bonds (distance) P-C4' energy: -122.363
flat angles C4'-P-C4' energy: -97.815
flat angles P-C4'-P energy: -59.620
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2508.843146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.843146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.843146 (E_RNA)
where:
Base-Base interactions energy: -1710.913
where: short stacking energy: -773.509
Base-Backbone interact. energy: -3.056
local terms energy: -794.874217
where:
bonds (distance) C4'-P energy: -129.519
bonds (distance) P-C4' energy: -154.858
flat angles C4'-P-C4' energy: -166.798
flat angles P-C4'-P energy: -112.643
tors. eta vs tors. theta energy: -231.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2372.174870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.174870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.174870 (E_RNA)
where:
Base-Base interactions energy: -1631.590
where: short stacking energy: -686.179
Base-Backbone interact. energy: -1.714
local terms energy: -738.870269
where:
bonds (distance) C4'-P energy: -142.843
bonds (distance) P-C4' energy: -146.365
flat angles C4'-P-C4' energy: -147.284
flat angles P-C4'-P energy: -113.620
tors. eta vs tors. theta energy: -188.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2373.481069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.481069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.481069 (E_RNA)
where:
Base-Base interactions energy: -1649.946
where: short stacking energy: -698.479
Base-Backbone interact. energy: -6.027
local terms energy: -717.508840
where:
bonds (distance) C4'-P energy: -121.426
bonds (distance) P-C4' energy: -147.260
flat angles C4'-P-C4' energy: -171.110
flat angles P-C4'-P energy: -91.419
tors. eta vs tors. theta energy: -186.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2188.474643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.474643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.474643 (E_RNA)
where:
Base-Base interactions energy: -1485.794
where: short stacking energy: -636.421
Base-Backbone interact. energy: -4.383
local terms energy: -698.297276
where:
bonds (distance) C4'-P energy: -142.713
bonds (distance) P-C4' energy: -134.404
flat angles C4'-P-C4' energy: -146.946
flat angles P-C4'-P energy: -89.537
tors. eta vs tors. theta energy: -184.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1941.622063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.622063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.622063 (E_RNA)
where:
Base-Base interactions energy: -1315.098
where: short stacking energy: -587.310
Base-Backbone interact. energy: 1.083
local terms energy: -627.607155
where:
bonds (distance) C4'-P energy: -126.298
bonds (distance) P-C4' energy: -120.571
flat angles C4'-P-C4' energy: -134.334
flat angles P-C4'-P energy: -80.325
tors. eta vs tors. theta energy: -166.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1946.463556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.463556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.463556 (E_RNA)
where:
Base-Base interactions energy: -1319.498
where: short stacking energy: -587.318
Base-Backbone interact. energy: -0.436
local terms energy: -626.529988
where:
bonds (distance) C4'-P energy: -122.844
bonds (distance) P-C4' energy: -117.136
flat angles C4'-P-C4' energy: -142.195
flat angles P-C4'-P energy: -86.450
tors. eta vs tors. theta energy: -157.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1678.155625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.155625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.155625 (E_RNA)
where:
Base-Base interactions energy: -1078.587
where: short stacking energy: -501.868
Base-Backbone interact. energy: -0.552
local terms energy: -599.016643
where:
bonds (distance) C4'-P energy: -124.631
bonds (distance) P-C4' energy: -123.696
flat angles C4'-P-C4' energy: -141.447
flat angles P-C4'-P energy: -83.294
tors. eta vs tors. theta energy: -125.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1409.913756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.913756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.913756 (E_RNA)
where:
Base-Base interactions energy: -903.792
where: short stacking energy: -401.714
Base-Backbone interact. energy: -1.176
local terms energy: -504.945384
where:
bonds (distance) C4'-P energy: -119.580
bonds (distance) P-C4' energy: -103.411
flat angles C4'-P-C4' energy: -122.300
flat angles P-C4'-P energy: -90.836
tors. eta vs tors. theta energy: -68.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1128.019782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.019782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.019782 (E_RNA)
where:
Base-Base interactions energy: -682.104
where: short stacking energy: -349.641
Base-Backbone interact. energy: 2.388
local terms energy: -448.304622
where:
bonds (distance) C4'-P energy: -109.396
bonds (distance) P-C4' energy: -120.148
flat angles C4'-P-C4' energy: -110.315
flat angles P-C4'-P energy: -70.346
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -892.221806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.221806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.221806 (E_RNA)
where:
Base-Base interactions energy: -473.382
where: short stacking energy: -258.709
Base-Backbone interact. energy: -0.090
local terms energy: -418.750029
where:
bonds (distance) C4'-P energy: -114.443
bonds (distance) P-C4' energy: -122.921
flat angles C4'-P-C4' energy: -105.311
flat angles P-C4'-P energy: -66.765
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2511.453096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.453096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.453096 (E_RNA)
where:
Base-Base interactions energy: -1701.823
where: short stacking energy: -758.389
Base-Backbone interact. energy: -2.649
local terms energy: -806.981740
where:
bonds (distance) C4'-P energy: -137.409
bonds (distance) P-C4' energy: -154.190
flat angles C4'-P-C4' energy: -164.393
flat angles P-C4'-P energy: -126.859
tors. eta vs tors. theta energy: -224.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2374.964975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.964975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.964975 (E_RNA)
where:
Base-Base interactions energy: -1616.755
where: short stacking energy: -652.950
Base-Backbone interact. energy: -4.346
local terms energy: -753.864687
where:
bonds (distance) C4'-P energy: -152.097
bonds (distance) P-C4' energy: -146.472
flat angles C4'-P-C4' energy: -156.360
flat angles P-C4'-P energy: -118.385
tors. eta vs tors. theta energy: -180.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2402.597523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.597523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.597523 (E_RNA)
where:
Base-Base interactions energy: -1668.657
where: short stacking energy: -708.027
Base-Backbone interact. energy: 0.439
local terms energy: -734.379784
where:
bonds (distance) C4'-P energy: -134.084
bonds (distance) P-C4' energy: -146.149
flat angles C4'-P-C4' energy: -158.076
flat angles P-C4'-P energy: -92.616
tors. eta vs tors. theta energy: -203.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2182.304994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.304994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.304994 (E_RNA)
where:
Base-Base interactions energy: -1480.944
where: short stacking energy: -675.933
Base-Backbone interact. energy: -0.370
local terms energy: -700.990706
where:
bonds (distance) C4'-P energy: -127.121
bonds (distance) P-C4' energy: -139.717
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -88.733
tors. eta vs tors. theta energy: -189.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2015.791677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.791677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.791677 (E_RNA)
where:
Base-Base interactions energy: -1368.114
where: short stacking energy: -610.605
Base-Backbone interact. energy: -0.403
local terms energy: -647.275147
where:
bonds (distance) C4'-P energy: -130.118
bonds (distance) P-C4' energy: -109.537
flat angles C4'-P-C4' energy: -151.175
flat angles P-C4'-P energy: -90.878
tors. eta vs tors. theta energy: -165.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1935.423259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.423259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.423259 (E_RNA)
where:
Base-Base interactions energy: -1323.101
where: short stacking energy: -562.044
Base-Backbone interact. energy: -2.046
local terms energy: -610.276033
where:
bonds (distance) C4'-P energy: -90.733
bonds (distance) P-C4' energy: -122.622
flat angles C4'-P-C4' energy: -147.963
flat angles P-C4'-P energy: -100.485
tors. eta vs tors. theta energy: -148.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1732.583320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.583320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.583320 (E_RNA)
where:
Base-Base interactions energy: -1155.921
where: short stacking energy: -527.197
Base-Backbone interact. energy: -0.837
local terms energy: -575.825222
where:
bonds (distance) C4'-P energy: -117.125
bonds (distance) P-C4' energy: -113.298
flat angles C4'-P-C4' energy: -146.459
flat angles P-C4'-P energy: -62.197
tors. eta vs tors. theta energy: -136.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1462.329211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.329211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.329211 (E_RNA)
where:
Base-Base interactions energy: -928.956
where: short stacking energy: -385.375
Base-Backbone interact. energy: -3.395
local terms energy: -529.978924
where:
bonds (distance) C4'-P energy: -110.792
bonds (distance) P-C4' energy: -133.186
flat angles C4'-P-C4' energy: -125.681
flat angles P-C4'-P energy: -63.263
tors. eta vs tors. theta energy: -97.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1065.072604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.072604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.072604 (E_RNA)
where:
Base-Base interactions energy: -610.418
where: short stacking energy: -310.088
Base-Backbone interact. energy: -2.411
local terms energy: -452.243429
where:
bonds (distance) C4'-P energy: -121.588
bonds (distance) P-C4' energy: -136.136
flat angles C4'-P-C4' energy: -105.432
flat angles P-C4'-P energy: -58.455
tors. eta vs tors. theta energy: -30.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -878.314902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.314902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.314902 (E_RNA)
where:
Base-Base interactions energy: -453.929
where: short stacking energy: -226.784
Base-Backbone interact. energy: 3.888
local terms energy: -428.273669
where:
bonds (distance) C4'-P energy: -122.278
bonds (distance) P-C4' energy: -119.033
flat angles C4'-P-C4' energy: -118.180
flat angles P-C4'-P energy: -73.255
tors. eta vs tors. theta energy: 4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2519.288663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.288663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.288663 (E_RNA)
where:
Base-Base interactions energy: -1713.982
where: short stacking energy: -739.197
Base-Backbone interact. energy: -1.632
local terms energy: -803.675001
where:
bonds (distance) C4'-P energy: -149.839
bonds (distance) P-C4' energy: -155.521
flat angles C4'-P-C4' energy: -162.593
flat angles P-C4'-P energy: -112.921
tors. eta vs tors. theta energy: -222.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2399.628958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.628958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.628958 (E_RNA)
where:
Base-Base interactions energy: -1652.589
where: short stacking energy: -697.571
Base-Backbone interact. energy: -3.563
local terms energy: -743.476929
where:
bonds (distance) C4'-P energy: -142.444
bonds (distance) P-C4' energy: -147.294
flat angles C4'-P-C4' energy: -158.069
flat angles P-C4'-P energy: -106.731
tors. eta vs tors. theta energy: -188.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2395.362237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.362237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.362237 (E_RNA)
where:
Base-Base interactions energy: -1655.963
where: short stacking energy: -704.421
Base-Backbone interact. energy: -1.804
local terms energy: -737.595279
where:
bonds (distance) C4'-P energy: -130.956
bonds (distance) P-C4' energy: -145.330
flat angles C4'-P-C4' energy: -159.694
flat angles P-C4'-P energy: -101.259
tors. eta vs tors. theta energy: -200.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2146.967414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.967414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.967414 (E_RNA)
where:
Base-Base interactions energy: -1446.694
where: short stacking energy: -619.194
Base-Backbone interact. energy: -3.080
local terms energy: -697.193351
where:
bonds (distance) C4'-P energy: -132.959
bonds (distance) P-C4' energy: -139.022
flat angles C4'-P-C4' energy: -158.094
flat angles P-C4'-P energy: -91.380
tors. eta vs tors. theta energy: -175.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2007.016445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.016445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.016445 (E_RNA)
where:
Base-Base interactions energy: -1341.312
where: short stacking energy: -601.813
Base-Backbone interact. energy: -0.447
local terms energy: -665.257521
where:
bonds (distance) C4'-P energy: -126.699
bonds (distance) P-C4' energy: -137.934
flat angles C4'-P-C4' energy: -154.947
flat angles P-C4'-P energy: -89.354
tors. eta vs tors. theta energy: -156.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1886.838306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.838306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.838306 (E_RNA)
where:
Base-Base interactions energy: -1281.197
where: short stacking energy: -541.819
Base-Backbone interact. energy: -2.611
local terms energy: -603.031038
where:
bonds (distance) C4'-P energy: -116.699
bonds (distance) P-C4' energy: -120.247
flat angles C4'-P-C4' energy: -139.114
flat angles P-C4'-P energy: -89.977
tors. eta vs tors. theta energy: -136.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1731.613376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.613376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.613376 (E_RNA)
where:
Base-Base interactions energy: -1119.392
where: short stacking energy: -507.549
Base-Backbone interact. energy: 0.934
local terms energy: -613.155009
where:
bonds (distance) C4'-P energy: -116.936
bonds (distance) P-C4' energy: -147.667
flat angles C4'-P-C4' energy: -145.472
flat angles P-C4'-P energy: -64.852
tors. eta vs tors. theta energy: -138.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1413.955862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.955862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.955862 (E_RNA)
where:
Base-Base interactions energy: -919.254
where: short stacking energy: -416.793
Base-Backbone interact. energy: 0.339
local terms energy: -495.041462
where:
bonds (distance) C4'-P energy: -92.248
bonds (distance) P-C4' energy: -118.442
flat angles C4'-P-C4' energy: -118.425
flat angles P-C4'-P energy: -84.262
tors. eta vs tors. theta energy: -81.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1081.338752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.338752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.338752 (E_RNA)
where:
Base-Base interactions energy: -624.643
where: short stacking energy: -333.872
Base-Backbone interact. energy: 2.708
local terms energy: -459.403846
where:
bonds (distance) C4'-P energy: -112.385
bonds (distance) P-C4' energy: -116.342
flat angles C4'-P-C4' energy: -117.820
flat angles P-C4'-P energy: -70.192
tors. eta vs tors. theta energy: -42.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -925.053467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.053467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.053467 (E_RNA)
where:
Base-Base interactions energy: -526.456
where: short stacking energy: -273.552
Base-Backbone interact. energy: 1.008
local terms energy: -399.605233
where:
bonds (distance) C4'-P energy: -105.550
bonds (distance) P-C4' energy: -123.826
flat angles C4'-P-C4' energy: -106.705
flat angles P-C4'-P energy: -53.420
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2529.073265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.073265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.073265 (E_RNA)
where:
Base-Base interactions energy: -1714.400
where: short stacking energy: -764.377
Base-Backbone interact. energy: -1.399
local terms energy: -813.274316
where:
bonds (distance) C4'-P energy: -146.037
bonds (distance) P-C4' energy: -145.598
flat angles C4'-P-C4' energy: -170.049
flat angles P-C4'-P energy: -114.183
tors. eta vs tors. theta energy: -237.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2365.965817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.965817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.965817 (E_RNA)
where:
Base-Base interactions energy: -1614.030
where: short stacking energy: -696.199
Base-Backbone interact. energy: 2.007
local terms energy: -753.942482
where:
bonds (distance) C4'-P energy: -150.860
bonds (distance) P-C4' energy: -146.309
flat angles C4'-P-C4' energy: -159.483
flat angles P-C4'-P energy: -108.477
tors. eta vs tors. theta energy: -188.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2368.130792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.130792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.130792 (E_RNA)
where:
Base-Base interactions energy: -1645.704
where: short stacking energy: -693.092
Base-Backbone interact. energy: -4.973
local terms energy: -717.454117
where:
bonds (distance) C4'-P energy: -124.802
bonds (distance) P-C4' energy: -147.803
flat angles C4'-P-C4' energy: -157.303
flat angles P-C4'-P energy: -101.315
tors. eta vs tors. theta energy: -186.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2172.785688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.785688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.785688 (E_RNA)
where:
Base-Base interactions energy: -1470.189
where: short stacking energy: -677.016
Base-Backbone interact. energy: -3.304
local terms energy: -699.292582
where:
bonds (distance) C4'-P energy: -130.726
bonds (distance) P-C4' energy: -139.910
flat angles C4'-P-C4' energy: -140.165
flat angles P-C4'-P energy: -98.724
tors. eta vs tors. theta energy: -189.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1980.444799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.444799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.444799 (E_RNA)
where:
Base-Base interactions energy: -1314.688
where: short stacking energy: -587.540
Base-Backbone interact. energy: 1.030
local terms energy: -666.786284
where:
bonds (distance) C4'-P energy: -125.779
bonds (distance) P-C4' energy: -137.512
flat angles C4'-P-C4' energy: -152.434
flat angles P-C4'-P energy: -89.657
tors. eta vs tors. theta energy: -161.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1865.072784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.072784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.072784 (E_RNA)
where:
Base-Base interactions energy: -1274.694
where: short stacking energy: -545.269
Base-Backbone interact. energy: 0.439
local terms energy: -590.817444
where:
bonds (distance) C4'-P energy: -125.035
bonds (distance) P-C4' energy: -111.055
flat angles C4'-P-C4' energy: -145.543
flat angles P-C4'-P energy: -80.741
tors. eta vs tors. theta energy: -128.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1803.999063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.999063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.999063 (E_RNA)
where:
Base-Base interactions energy: -1172.172
where: short stacking energy: -523.426
Base-Backbone interact. energy: -0.985
local terms energy: -630.841719
where:
bonds (distance) C4'-P energy: -128.595
bonds (distance) P-C4' energy: -139.665
flat angles C4'-P-C4' energy: -139.187
flat angles P-C4'-P energy: -76.141
tors. eta vs tors. theta energy: -147.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1342.925334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.925334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.925334 (E_RNA)
where:
Base-Base interactions energy: -849.000
where: short stacking energy: -417.625
Base-Backbone interact. energy: 0.239
local terms energy: -494.163816
where:
bonds (distance) C4'-P energy: -114.191
bonds (distance) P-C4' energy: -131.551
flat angles C4'-P-C4' energy: -111.076
flat angles P-C4'-P energy: -74.763
tors. eta vs tors. theta energy: -62.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1063.679005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.679005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.679005 (E_RNA)
where:
Base-Base interactions energy: -624.082
where: short stacking energy: -307.976
Base-Backbone interact. energy: 0.070
local terms energy: -439.667055
where:
bonds (distance) C4'-P energy: -110.825
bonds (distance) P-C4' energy: -101.889
flat angles C4'-P-C4' energy: -127.754
flat angles P-C4'-P energy: -57.067
tors. eta vs tors. theta energy: -42.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -927.063819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.063819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.063819 (E_RNA)
where:
Base-Base interactions energy: -496.827
where: short stacking energy: -266.376
Base-Backbone interact. energy: -1.122
local terms energy: -429.115181
where:
bonds (distance) C4'-P energy: -111.018
bonds (distance) P-C4' energy: -112.752
flat angles C4'-P-C4' energy: -101.872
flat angles P-C4'-P energy: -65.834
tors. eta vs tors. theta energy: -37.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2529.175541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.175541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.175541 (E_RNA)
where:
Base-Base interactions energy: -1726.282
where: short stacking energy: -778.561
Base-Backbone interact. energy: 1.713
local terms energy: -804.606312
where:
bonds (distance) C4'-P energy: -151.442
bonds (distance) P-C4' energy: -147.181
flat angles C4'-P-C4' energy: -168.100
flat angles P-C4'-P energy: -112.009
tors. eta vs tors. theta energy: -225.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2376.713189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.713189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.713189 (E_RNA)
where:
Base-Base interactions energy: -1639.964
where: short stacking energy: -682.588
Base-Backbone interact. energy: -2.851
local terms energy: -733.898336
where:
bonds (distance) C4'-P energy: -150.620
bonds (distance) P-C4' energy: -142.695
flat angles C4'-P-C4' energy: -155.827
flat angles P-C4'-P energy: -100.500
tors. eta vs tors. theta energy: -184.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2383.232853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.232853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.232853 (E_RNA)
where:
Base-Base interactions energy: -1643.296
where: short stacking energy: -691.441
Base-Backbone interact. energy: -3.627
local terms energy: -736.309551
where:
bonds (distance) C4'-P energy: -132.182
bonds (distance) P-C4' energy: -137.075
flat angles C4'-P-C4' energy: -160.159
flat angles P-C4'-P energy: -107.071
tors. eta vs tors. theta energy: -199.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2217.762963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.762963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.762963 (E_RNA)
where:
Base-Base interactions energy: -1536.934
where: short stacking energy: -691.680
Base-Backbone interact. energy: -0.107
local terms energy: -680.721337
where:
bonds (distance) C4'-P energy: -122.894
bonds (distance) P-C4' energy: -131.025
flat angles C4'-P-C4' energy: -144.437
flat angles P-C4'-P energy: -95.448
tors. eta vs tors. theta energy: -186.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1996.891437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.891437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.891437 (E_RNA)
where:
Base-Base interactions energy: -1325.374
where: short stacking energy: -610.691
Base-Backbone interact. energy: -2.428
local terms energy: -669.089336
where:
bonds (distance) C4'-P energy: -132.154
bonds (distance) P-C4' energy: -136.678
flat angles C4'-P-C4' energy: -132.040
flat angles P-C4'-P energy: -92.886
tors. eta vs tors. theta energy: -175.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1881.611882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.611882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.611882 (E_RNA)
where:
Base-Base interactions energy: -1251.562
where: short stacking energy: -556.555
Base-Backbone interact. energy: -0.619
local terms energy: -629.431172
where:
bonds (distance) C4'-P energy: -145.578
bonds (distance) P-C4' energy: -114.171
flat angles C4'-P-C4' energy: -138.948
flat angles P-C4'-P energy: -100.015
tors. eta vs tors. theta energy: -130.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1822.316556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.316556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.316556 (E_RNA)
where:
Base-Base interactions energy: -1234.603
where: short stacking energy: -550.316
Base-Backbone interact. energy: -0.308
local terms energy: -587.405438
where:
bonds (distance) C4'-P energy: -117.464
bonds (distance) P-C4' energy: -114.351
flat angles C4'-P-C4' energy: -139.897
flat angles P-C4'-P energy: -62.065
tors. eta vs tors. theta energy: -153.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1365.082393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.082393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.082393 (E_RNA)
where:
Base-Base interactions energy: -866.460
where: short stacking energy: -399.294
Base-Backbone interact. energy: -3.803
local terms energy: -494.819952
where:
bonds (distance) C4'-P energy: -115.095
bonds (distance) P-C4' energy: -101.595
flat angles C4'-P-C4' energy: -106.940
flat angles P-C4'-P energy: -85.696
tors. eta vs tors. theta energy: -85.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1040.416848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.416848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.416848 (E_RNA)
where:
Base-Base interactions energy: -590.137
where: short stacking energy: -303.962
Base-Backbone interact. energy: -3.142
local terms energy: -447.137339
where:
bonds (distance) C4'-P energy: -115.734
bonds (distance) P-C4' energy: -107.076
flat angles C4'-P-C4' energy: -122.132
flat angles P-C4'-P energy: -67.924
tors. eta vs tors. theta energy: -34.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -833.467875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.467875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.467875 (E_RNA)
where:
Base-Base interactions energy: -417.964
where: short stacking energy: -223.205
Base-Backbone interact. energy: 3.703
local terms energy: -419.207242
where:
bonds (distance) C4'-P energy: -109.422
bonds (distance) P-C4' energy: -120.570
flat angles C4'-P-C4' energy: -103.138
flat angles P-C4'-P energy: -79.584
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2543.814016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.814016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.814016 (E_RNA)
where:
Base-Base interactions energy: -1728.059
where: short stacking energy: -754.395
Base-Backbone interact. energy: -2.943
local terms energy: -812.811993
where:
bonds (distance) C4'-P energy: -157.399
bonds (distance) P-C4' energy: -146.443
flat angles C4'-P-C4' energy: -158.709
flat angles P-C4'-P energy: -120.688
tors. eta vs tors. theta energy: -229.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2406.862953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.862953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.862953 (E_RNA)
where:
Base-Base interactions energy: -1643.897
where: short stacking energy: -721.165
Base-Backbone interact. energy: -3.890
local terms energy: -759.076837
where:
bonds (distance) C4'-P energy: -146.353
bonds (distance) P-C4' energy: -134.244
flat angles C4'-P-C4' energy: -170.255
flat angles P-C4'-P energy: -108.808
tors. eta vs tors. theta energy: -199.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2352.174185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.174185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.174185 (E_RNA)
where:
Base-Base interactions energy: -1632.501
where: short stacking energy: -694.048
Base-Backbone interact. energy: -4.006
local terms energy: -715.666407
where:
bonds (distance) C4'-P energy: -135.643
bonds (distance) P-C4' energy: -149.008
flat angles C4'-P-C4' energy: -164.098
flat angles P-C4'-P energy: -82.999
tors. eta vs tors. theta energy: -183.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2193.636435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.636435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.636435 (E_RNA)
where:
Base-Base interactions energy: -1478.112
where: short stacking energy: -665.562
Base-Backbone interact. energy: 0.742
local terms energy: -716.266952
where:
bonds (distance) C4'-P energy: -130.551
bonds (distance) P-C4' energy: -149.990
flat angles C4'-P-C4' energy: -153.182
flat angles P-C4'-P energy: -106.606
tors. eta vs tors. theta energy: -175.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2061.069747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.069747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.069747 (E_RNA)
where:
Base-Base interactions energy: -1375.031
where: short stacking energy: -604.096
Base-Backbone interact. energy: -2.068
local terms energy: -683.970207
where:
bonds (distance) C4'-P energy: -132.182
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -152.707
flat angles P-C4'-P energy: -98.144
tors. eta vs tors. theta energy: -170.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1912.714683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.714683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.714683 (E_RNA)
where:
Base-Base interactions energy: -1281.556
where: short stacking energy: -584.044
Base-Backbone interact. energy: -3.810
local terms energy: -627.348022
where:
bonds (distance) C4'-P energy: -124.431
bonds (distance) P-C4' energy: -123.374
flat angles C4'-P-C4' energy: -145.917
flat angles P-C4'-P energy: -84.695
tors. eta vs tors. theta energy: -148.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1791.090656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.090656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.090656 (E_RNA)
where:
Base-Base interactions energy: -1208.004
where: short stacking energy: -520.857
Base-Backbone interact. energy: 0.098
local terms energy: -583.184544
where:
bonds (distance) C4'-P energy: -118.189
bonds (distance) P-C4' energy: -118.539
flat angles C4'-P-C4' energy: -136.076
flat angles P-C4'-P energy: -77.318
tors. eta vs tors. theta energy: -133.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1411.233679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.233679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.233679 (E_RNA)
where:
Base-Base interactions energy: -902.321
where: short stacking energy: -407.139
Base-Backbone interact. energy: -0.111
local terms energy: -508.801006
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -123.675
flat angles C4'-P-C4' energy: -121.380
flat angles P-C4'-P energy: -67.678
tors. eta vs tors. theta energy: -88.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1083.201562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.201562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.201562 (E_RNA)
where:
Base-Base interactions energy: -614.914
where: short stacking energy: -303.325
Base-Backbone interact. energy: 4.546
local terms energy: -472.833336
where:
bonds (distance) C4'-P energy: -123.582
bonds (distance) P-C4' energy: -124.830
flat angles C4'-P-C4' energy: -126.877
flat angles P-C4'-P energy: -66.033
tors. eta vs tors. theta energy: -31.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -844.686208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.686208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.686208 (E_RNA)
where:
Base-Base interactions energy: -448.509
where: short stacking energy: -206.196
Base-Backbone interact. energy: 3.080
local terms energy: -399.257345
where:
bonds (distance) C4'-P energy: -115.709
bonds (distance) P-C4' energy: -123.850
flat angles C4'-P-C4' energy: -103.466
flat angles P-C4'-P energy: -67.335
tors. eta vs tors. theta energy: 11.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2529.358935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.358935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.358935 (E_RNA)
where:
Base-Base interactions energy: -1741.545
where: short stacking energy: -751.541
Base-Backbone interact. energy: 0.888
local terms energy: -788.701438
where:
bonds (distance) C4'-P energy: -138.621
bonds (distance) P-C4' energy: -136.675
flat angles C4'-P-C4' energy: -158.330
flat angles P-C4'-P energy: -119.103
tors. eta vs tors. theta energy: -235.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2441.283680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.283680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.283680 (E_RNA)
where:
Base-Base interactions energy: -1686.006
where: short stacking energy: -722.888
Base-Backbone interact. energy: -3.599
local terms energy: -751.678128
where:
bonds (distance) C4'-P energy: -133.618
bonds (distance) P-C4' energy: -138.090
flat angles C4'-P-C4' energy: -168.824
flat angles P-C4'-P energy: -110.121
tors. eta vs tors. theta energy: -201.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2321.229781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.229781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.229781 (E_RNA)
where:
Base-Base interactions energy: -1593.115
where: short stacking energy: -655.187
Base-Backbone interact. energy: -2.547
local terms energy: -725.567921
where:
bonds (distance) C4'-P energy: -136.979
bonds (distance) P-C4' energy: -129.572
flat angles C4'-P-C4' energy: -155.228
flat angles P-C4'-P energy: -103.233
tors. eta vs tors. theta energy: -200.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2199.803229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.803229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.803229 (E_RNA)
where:
Base-Base interactions energy: -1475.608
where: short stacking energy: -707.932
Base-Backbone interact. energy: 1.722
local terms energy: -725.916878
where:
bonds (distance) C4'-P energy: -132.012
bonds (distance) P-C4' energy: -143.288
flat angles C4'-P-C4' energy: -157.120
flat angles P-C4'-P energy: -101.701
tors. eta vs tors. theta energy: -191.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2163.782752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.782752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.782752 (E_RNA)
where:
Base-Base interactions energy: -1475.874
where: short stacking energy: -637.543
Base-Backbone interact. energy: 0.660
local terms energy: -688.568667
where:
bonds (distance) C4'-P energy: -116.485
bonds (distance) P-C4' energy: -151.059
flat angles C4'-P-C4' energy: -151.178
flat angles P-C4'-P energy: -105.434
tors. eta vs tors. theta energy: -164.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1834.446140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.446140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.446140 (E_RNA)
where:
Base-Base interactions energy: -1212.398
where: short stacking energy: -557.304
Base-Backbone interact. energy: -3.799
local terms energy: -618.249068
where:
bonds (distance) C4'-P energy: -140.777
bonds (distance) P-C4' energy: -130.332
flat angles C4'-P-C4' energy: -134.224
flat angles P-C4'-P energy: -83.564
tors. eta vs tors. theta energy: -129.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1875.328542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.328542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.328542 (E_RNA)
where:
Base-Base interactions energy: -1240.345
where: short stacking energy: -526.735
Base-Backbone interact. energy: 0.390
local terms energy: -635.373365
where:
bonds (distance) C4'-P energy: -123.978
bonds (distance) P-C4' energy: -120.590
flat angles C4'-P-C4' energy: -141.097
flat angles P-C4'-P energy: -104.138
tors. eta vs tors. theta energy: -145.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1406.070315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.070315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.070315 (E_RNA)
where:
Base-Base interactions energy: -870.924
where: short stacking energy: -379.178
Base-Backbone interact. energy: -2.761
local terms energy: -532.385672
where:
bonds (distance) C4'-P energy: -133.630
bonds (distance) P-C4' energy: -101.341
flat angles C4'-P-C4' energy: -121.615
flat angles P-C4'-P energy: -91.608
tors. eta vs tors. theta energy: -84.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1179.960158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.960158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.960158 (E_RNA)
where:
Base-Base interactions energy: -669.081
where: short stacking energy: -335.690
Base-Backbone interact. energy: -1.878
local terms energy: -509.001160
where:
bonds (distance) C4'-P energy: -90.703
bonds (distance) P-C4' energy: -118.920
flat angles C4'-P-C4' energy: -137.929
flat angles P-C4'-P energy: -80.927
tors. eta vs tors. theta energy: -80.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -780.777639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.777639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.777639 (E_RNA)
where:
Base-Base interactions energy: -399.241
where: short stacking energy: -214.939
Base-Backbone interact. energy: 1.067
local terms energy: -382.603337
where:
bonds (distance) C4'-P energy: -109.280
bonds (distance) P-C4' energy: -126.823
flat angles C4'-P-C4' energy: -81.270
flat angles P-C4'-P energy: -72.794
tors. eta vs tors. theta energy: 7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2535.690559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.690559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.690559 (E_RNA)
where:
Base-Base interactions energy: -1761.487
where: short stacking energy: -808.329
Base-Backbone interact. energy: -0.916
local terms energy: -773.287089
where:
bonds (distance) C4'-P energy: -139.407
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -160.811
flat angles P-C4'-P energy: -104.565
tors. eta vs tors. theta energy: -238.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2400.476112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.476112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.476112 (E_RNA)
where:
Base-Base interactions energy: -1628.702
where: short stacking energy: -681.473
Base-Backbone interact. energy: 0.047
local terms energy: -771.821565
where:
bonds (distance) C4'-P energy: -149.195
bonds (distance) P-C4' energy: -134.100
flat angles C4'-P-C4' energy: -166.923
flat angles P-C4'-P energy: -121.501
tors. eta vs tors. theta energy: -200.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2375.139068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.139068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.139068 (E_RNA)
where:
Base-Base interactions energy: -1627.759
where: short stacking energy: -705.457
Base-Backbone interact. energy: -4.166
local terms energy: -743.214058
where:
bonds (distance) C4'-P energy: -140.128
bonds (distance) P-C4' energy: -134.602
flat angles C4'-P-C4' energy: -162.625
flat angles P-C4'-P energy: -99.917
tors. eta vs tors. theta energy: -205.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2202.596057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.596057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.596057 (E_RNA)
where:
Base-Base interactions energy: -1537.793
where: short stacking energy: -645.320
Base-Backbone interact. energy: -0.515
local terms energy: -664.288388
where:
bonds (distance) C4'-P energy: -126.789
bonds (distance) P-C4' energy: -117.931
flat angles C4'-P-C4' energy: -144.794
flat angles P-C4'-P energy: -102.737
tors. eta vs tors. theta energy: -172.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2112.266438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.266438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.266438 (E_RNA)
where:
Base-Base interactions energy: -1423.030
where: short stacking energy: -643.684
Base-Backbone interact. energy: -1.380
local terms energy: -687.856899
where:
bonds (distance) C4'-P energy: -125.994
bonds (distance) P-C4' energy: -137.224
flat angles C4'-P-C4' energy: -145.760
flat angles P-C4'-P energy: -94.430
tors. eta vs tors. theta energy: -184.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1974.419475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.419475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.419475 (E_RNA)
where:
Base-Base interactions energy: -1313.247
where: short stacking energy: -592.173
Base-Backbone interact. energy: -0.427
local terms energy: -660.745140
where:
bonds (distance) C4'-P energy: -119.081
bonds (distance) P-C4' energy: -133.029
flat angles C4'-P-C4' energy: -153.328
flat angles P-C4'-P energy: -90.386
tors. eta vs tors. theta energy: -164.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1773.411657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.411657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.411657 (E_RNA)
where:
Base-Base interactions energy: -1145.354
where: short stacking energy: -501.621
Base-Backbone interact. energy: 1.835
local terms energy: -629.892915
where:
bonds (distance) C4'-P energy: -138.126
bonds (distance) P-C4' energy: -129.297
flat angles C4'-P-C4' energy: -147.744
flat angles P-C4'-P energy: -79.241
tors. eta vs tors. theta energy: -135.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1396.745409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.745409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.745409 (E_RNA)
where:
Base-Base interactions energy: -889.128
where: short stacking energy: -415.913
Base-Backbone interact. energy: 1.739
local terms energy: -509.356653
where:
bonds (distance) C4'-P energy: -108.107
bonds (distance) P-C4' energy: -134.806
flat angles C4'-P-C4' energy: -124.844
flat angles P-C4'-P energy: -57.709
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1106.577906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.577906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.577906 (E_RNA)
where:
Base-Base interactions energy: -668.671
where: short stacking energy: -349.251
Base-Backbone interact. energy: -1.961
local terms energy: -435.945527
where:
bonds (distance) C4'-P energy: -100.623
bonds (distance) P-C4' energy: -109.801
flat angles C4'-P-C4' energy: -105.457
flat angles P-C4'-P energy: -74.938
tors. eta vs tors. theta energy: -45.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -765.260077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.260077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.260077 (E_RNA)
where:
Base-Base interactions energy: -380.616
where: short stacking energy: -216.399
Base-Backbone interact. energy: -1.051
local terms energy: -383.592915
where:
bonds (distance) C4'-P energy: -119.183
bonds (distance) P-C4' energy: -132.814
flat angles C4'-P-C4' energy: -93.468
flat angles P-C4'-P energy: -51.979
tors. eta vs tors. theta energy: 13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2518.329497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.329497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.329497 (E_RNA)
where:
Base-Base interactions energy: -1724.778
where: short stacking energy: -762.866
Base-Backbone interact. energy: -1.582
local terms energy: -791.969203
where:
bonds (distance) C4'-P energy: -141.518
bonds (distance) P-C4' energy: -147.331
flat angles C4'-P-C4' energy: -161.539
flat angles P-C4'-P energy: -121.464
tors. eta vs tors. theta energy: -220.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2413.575867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.575867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.575867 (E_RNA)
where:
Base-Base interactions energy: -1664.439
where: short stacking energy: -713.900
Base-Backbone interact. energy: -3.111
local terms energy: -746.026717
where:
bonds (distance) C4'-P energy: -134.441
bonds (distance) P-C4' energy: -148.014
flat angles C4'-P-C4' energy: -154.826
flat angles P-C4'-P energy: -116.339
tors. eta vs tors. theta energy: -192.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2400.183670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.183670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.183670 (E_RNA)
where:
Base-Base interactions energy: -1643.277
where: short stacking energy: -701.240
Base-Backbone interact. energy: -4.234
local terms energy: -752.672716
where:
bonds (distance) C4'-P energy: -144.967
bonds (distance) P-C4' energy: -146.849
flat angles C4'-P-C4' energy: -156.198
flat angles P-C4'-P energy: -95.586
tors. eta vs tors. theta energy: -209.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2196.649959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.649959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.649959 (E_RNA)
where:
Base-Base interactions energy: -1516.440
where: short stacking energy: -628.396
Base-Backbone interact. energy: -3.745
local terms energy: -676.464677
where:
bonds (distance) C4'-P energy: -132.483
bonds (distance) P-C4' energy: -140.558
flat angles C4'-P-C4' energy: -141.919
flat angles P-C4'-P energy: -96.004
tors. eta vs tors. theta energy: -165.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2127.690401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.690401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.690401 (E_RNA)
where:
Base-Base interactions energy: -1444.049
where: short stacking energy: -651.692
Base-Backbone interact. energy: 0.902
local terms energy: -684.543801
where:
bonds (distance) C4'-P energy: -107.248
bonds (distance) P-C4' energy: -135.380
flat angles C4'-P-C4' energy: -151.693
flat angles P-C4'-P energy: -96.136
tors. eta vs tors. theta energy: -194.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1967.117118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.117118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.117118 (E_RNA)
where:
Base-Base interactions energy: -1310.672
where: short stacking energy: -572.254
Base-Backbone interact. energy: -0.437
local terms energy: -656.008703
where:
bonds (distance) C4'-P energy: -131.707
bonds (distance) P-C4' energy: -137.798
flat angles C4'-P-C4' energy: -138.196
flat angles P-C4'-P energy: -87.015
tors. eta vs tors. theta energy: -161.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1802.482566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.482566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.482566 (E_RNA)
where:
Base-Base interactions energy: -1195.016
where: short stacking energy: -509.503
Base-Backbone interact. energy: -1.000
local terms energy: -606.466324
where:
bonds (distance) C4'-P energy: -121.138
bonds (distance) P-C4' energy: -138.370
flat angles C4'-P-C4' energy: -128.368
flat angles P-C4'-P energy: -86.837
tors. eta vs tors. theta energy: -131.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1330.606525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.606525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.606525 (E_RNA)
where:
Base-Base interactions energy: -832.439
where: short stacking energy: -378.164
Base-Backbone interact. energy: -1.484
local terms energy: -496.684244
where:
bonds (distance) C4'-P energy: -118.296
bonds (distance) P-C4' energy: -118.629
flat angles C4'-P-C4' energy: -120.910
flat angles P-C4'-P energy: -83.524
tors. eta vs tors. theta energy: -55.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1090.534816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.534816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.534816 (E_RNA)
where:
Base-Base interactions energy: -605.098
where: short stacking energy: -307.868
Base-Backbone interact. energy: -3.120
local terms energy: -482.317606
where:
bonds (distance) C4'-P energy: -123.425
bonds (distance) P-C4' energy: -114.674
flat angles C4'-P-C4' energy: -131.301
flat angles P-C4'-P energy: -69.299
tors. eta vs tors. theta energy: -43.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -756.527188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.527188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.527188 (E_RNA)
where:
Base-Base interactions energy: -338.569
where: short stacking energy: -217.904
Base-Backbone interact. energy: 0.749
local terms energy: -418.707080
where:
bonds (distance) C4'-P energy: -131.798
bonds (distance) P-C4' energy: -123.966
flat angles C4'-P-C4' energy: -109.748
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2528.921202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.921202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.921202 (E_RNA)
where:
Base-Base interactions energy: -1722.072
where: short stacking energy: -766.590
Base-Backbone interact. energy: -4.929
local terms energy: -801.920833
where:
bonds (distance) C4'-P energy: -149.127
bonds (distance) P-C4' energy: -137.344
flat angles C4'-P-C4' energy: -167.485
flat angles P-C4'-P energy: -116.251
tors. eta vs tors. theta energy: -231.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2437.464841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.464841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.464841 (E_RNA)
where:
Base-Base interactions energy: -1684.273
where: short stacking energy: -726.450
Base-Backbone interact. energy: -1.560
local terms energy: -751.631837
where:
bonds (distance) C4'-P energy: -129.567
bonds (distance) P-C4' energy: -138.257
flat angles C4'-P-C4' energy: -161.495
flat angles P-C4'-P energy: -113.839
tors. eta vs tors. theta energy: -208.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2360.802151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.802151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.802151 (E_RNA)
where:
Base-Base interactions energy: -1621.446
where: short stacking energy: -672.936
Base-Backbone interact. energy: 2.937
local terms energy: -742.292823
where:
bonds (distance) C4'-P energy: -148.582
bonds (distance) P-C4' energy: -135.290
flat angles C4'-P-C4' energy: -163.726
flat angles P-C4'-P energy: -103.024
tors. eta vs tors. theta energy: -191.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2219.331199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.331199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.331199 (E_RNA)
where:
Base-Base interactions energy: -1496.421
where: short stacking energy: -661.057
Base-Backbone interact. energy: -3.511
local terms energy: -719.399588
where:
bonds (distance) C4'-P energy: -135.926
bonds (distance) P-C4' energy: -148.246
flat angles C4'-P-C4' energy: -161.624
flat angles P-C4'-P energy: -88.029
tors. eta vs tors. theta energy: -185.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2142.590965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.590965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.590965 (E_RNA)
where:
Base-Base interactions energy: -1440.779
where: short stacking energy: -648.773
Base-Backbone interact. energy: -1.828
local terms energy: -699.984205
where:
bonds (distance) C4'-P energy: -138.620
bonds (distance) P-C4' energy: -136.059
flat angles C4'-P-C4' energy: -140.303
flat angles P-C4'-P energy: -93.285
tors. eta vs tors. theta energy: -191.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1919.616476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.616476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.616476 (E_RNA)
where:
Base-Base interactions energy: -1305.655
where: short stacking energy: -559.721
Base-Backbone interact. energy: -2.224
local terms energy: -611.737577
where:
bonds (distance) C4'-P energy: -136.504
bonds (distance) P-C4' energy: -112.303
flat angles C4'-P-C4' energy: -131.210
flat angles P-C4'-P energy: -76.034
tors. eta vs tors. theta energy: -155.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1846.132437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.132437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.132437 (E_RNA)
where:
Base-Base interactions energy: -1212.613
where: short stacking energy: -534.246
Base-Backbone interact. energy: -0.378
local terms energy: -633.141439
where:
bonds (distance) C4'-P energy: -124.666
bonds (distance) P-C4' energy: -129.093
flat angles C4'-P-C4' energy: -153.862
flat angles P-C4'-P energy: -95.443
tors. eta vs tors. theta energy: -130.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1280.107752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.107752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.107752 (E_RNA)
where:
Base-Base interactions energy: -786.792
where: short stacking energy: -353.513
Base-Backbone interact. energy: 0.186
local terms energy: -493.501331
where:
bonds (distance) C4'-P energy: -116.019
bonds (distance) P-C4' energy: -115.279
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -72.063
tors. eta vs tors. theta energy: -66.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1096.734912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.734912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.734912 (E_RNA)
where:
Base-Base interactions energy: -638.109
where: short stacking energy: -310.595
Base-Backbone interact. energy: -2.217
local terms energy: -456.408254
where:
bonds (distance) C4'-P energy: -129.868
bonds (distance) P-C4' energy: -121.019
flat angles C4'-P-C4' energy: -104.838
flat angles P-C4'-P energy: -56.256
tors. eta vs tors. theta energy: -44.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -765.756221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.756221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.756221 (E_RNA)
where:
Base-Base interactions energy: -385.066
where: short stacking energy: -237.673
Base-Backbone interact. energy: -0.295
local terms energy: -380.395388
where:
bonds (distance) C4'-P energy: -134.596
bonds (distance) P-C4' energy: -119.124
flat angles C4'-P-C4' energy: -82.566
flat angles P-C4'-P energy: -56.748
tors. eta vs tors. theta energy: 12.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2538.983156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.983156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.983156 (E_RNA)
where:
Base-Base interactions energy: -1732.591
where: short stacking energy: -766.037
Base-Backbone interact. energy: 1.724
local terms energy: -808.115798
where:
bonds (distance) C4'-P energy: -140.766
bonds (distance) P-C4' energy: -150.152
flat angles C4'-P-C4' energy: -171.324
flat angles P-C4'-P energy: -118.003
tors. eta vs tors. theta energy: -227.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2467.004986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.004986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.004986 (E_RNA)
where:
Base-Base interactions energy: -1711.674
where: short stacking energy: -729.327
Base-Backbone interact. energy: 2.546
local terms energy: -757.876719
where:
bonds (distance) C4'-P energy: -142.764
bonds (distance) P-C4' energy: -131.945
flat angles C4'-P-C4' energy: -159.832
flat angles P-C4'-P energy: -115.160
tors. eta vs tors. theta energy: -208.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2365.322590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.322590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.322590 (E_RNA)
where:
Base-Base interactions energy: -1637.912
where: short stacking energy: -682.469
Base-Backbone interact. energy: -2.906
local terms energy: -724.504997
where:
bonds (distance) C4'-P energy: -143.697
bonds (distance) P-C4' energy: -122.125
flat angles C4'-P-C4' energy: -161.263
flat angles P-C4'-P energy: -105.312
tors. eta vs tors. theta energy: -192.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2224.785688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.785688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.785688 (E_RNA)
where:
Base-Base interactions energy: -1527.118
where: short stacking energy: -680.755
Base-Backbone interact. energy: -5.007
local terms energy: -692.660526
where:
bonds (distance) C4'-P energy: -130.346
bonds (distance) P-C4' energy: -129.578
flat angles C4'-P-C4' energy: -150.681
flat angles P-C4'-P energy: -94.873
tors. eta vs tors. theta energy: -187.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2045.188441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.188441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.188441 (E_RNA)
where:
Base-Base interactions energy: -1404.187
where: short stacking energy: -619.913
Base-Backbone interact. energy: -0.292
local terms energy: -640.709534
where:
bonds (distance) C4'-P energy: -119.702
bonds (distance) P-C4' energy: -135.305
flat angles C4'-P-C4' energy: -145.064
flat angles P-C4'-P energy: -80.587
tors. eta vs tors. theta energy: -160.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1988.178760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.178760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.178760 (E_RNA)
where:
Base-Base interactions energy: -1309.693
where: short stacking energy: -595.639
Base-Backbone interact. energy: -1.331
local terms energy: -677.155084
where:
bonds (distance) C4'-P energy: -123.870
bonds (distance) P-C4' energy: -133.063
flat angles C4'-P-C4' energy: -147.744
flat angles P-C4'-P energy: -96.479
tors. eta vs tors. theta energy: -176.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1823.909618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.909618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.909618 (E_RNA)
where:
Base-Base interactions energy: -1230.417
where: short stacking energy: -527.607
Base-Backbone interact. energy: 1.104
local terms energy: -594.596568
where:
bonds (distance) C4'-P energy: -119.133
bonds (distance) P-C4' energy: -133.752
flat angles C4'-P-C4' energy: -131.663
flat angles P-C4'-P energy: -85.991
tors. eta vs tors. theta energy: -124.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1240.701457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.701457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.701457 (E_RNA)
where:
Base-Base interactions energy: -749.587
where: short stacking energy: -367.690
Base-Backbone interact. energy: 7.086
local terms energy: -498.199999
where:
bonds (distance) C4'-P energy: -136.202
bonds (distance) P-C4' energy: -111.144
flat angles C4'-P-C4' energy: -101.770
flat angles P-C4'-P energy: -76.833
tors. eta vs tors. theta energy: -72.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1173.741322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.741322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.741322 (E_RNA)
where:
Base-Base interactions energy: -725.136
where: short stacking energy: -312.709
Base-Backbone interact. energy: -3.373
local terms energy: -445.232187
where:
bonds (distance) C4'-P energy: -112.953
bonds (distance) P-C4' energy: -120.120
flat angles C4'-P-C4' energy: -112.076
flat angles P-C4'-P energy: -53.838
tors. eta vs tors. theta energy: -46.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -755.704342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.704342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.704342 (E_RNA)
where:
Base-Base interactions energy: -382.239
where: short stacking energy: -220.860
Base-Backbone interact. energy: 1.601
local terms energy: -375.066362
where:
bonds (distance) C4'-P energy: -108.219
bonds (distance) P-C4' energy: -109.250
flat angles C4'-P-C4' energy: -96.678
flat angles P-C4'-P energy: -64.062
tors. eta vs tors. theta energy: 3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2525.222060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.222060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.222060 (E_RNA)
where:
Base-Base interactions energy: -1709.858
where: short stacking energy: -733.525
Base-Backbone interact. energy: 6.373
local terms energy: -821.737276
where:
bonds (distance) C4'-P energy: -146.790
bonds (distance) P-C4' energy: -155.119
flat angles C4'-P-C4' energy: -174.386
flat angles P-C4'-P energy: -124.837
tors. eta vs tors. theta energy: -220.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2481.270384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.270384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.270384 (E_RNA)
where:
Base-Base interactions energy: -1711.918
where: short stacking energy: -742.735
Base-Backbone interact. energy: -1.653
local terms energy: -767.699316
where:
bonds (distance) C4'-P energy: -137.806
bonds (distance) P-C4' energy: -139.841
flat angles C4'-P-C4' energy: -170.491
flat angles P-C4'-P energy: -106.849
tors. eta vs tors. theta energy: -212.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2391.425924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.425924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.425924 (E_RNA)
where:
Base-Base interactions energy: -1645.845
where: short stacking energy: -712.805
Base-Backbone interact. energy: -2.839
local terms energy: -742.742364
where:
bonds (distance) C4'-P energy: -129.983
bonds (distance) P-C4' energy: -139.723
flat angles C4'-P-C4' energy: -172.698
flat angles P-C4'-P energy: -95.319
tors. eta vs tors. theta energy: -205.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2232.667987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.667987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.667987 (E_RNA)
where:
Base-Base interactions energy: -1506.975
where: short stacking energy: -659.318
Base-Backbone interact. energy: -0.831
local terms energy: -724.862329
where:
bonds (distance) C4'-P energy: -130.107
bonds (distance) P-C4' energy: -150.113
flat angles C4'-P-C4' energy: -144.947
flat angles P-C4'-P energy: -111.837
tors. eta vs tors. theta energy: -187.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2075.230203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.230203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.230203 (E_RNA)
where:
Base-Base interactions energy: -1425.644
where: short stacking energy: -652.973
Base-Backbone interact. energy: -2.191
local terms energy: -647.394915
where:
bonds (distance) C4'-P energy: -115.480
bonds (distance) P-C4' energy: -140.393
flat angles C4'-P-C4' energy: -144.185
flat angles P-C4'-P energy: -93.392
tors. eta vs tors. theta energy: -153.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2032.409309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.409309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.409309 (E_RNA)
where:
Base-Base interactions energy: -1361.249
where: short stacking energy: -604.483
Base-Backbone interact. energy: -1.964
local terms energy: -669.196199
where:
bonds (distance) C4'-P energy: -111.636
bonds (distance) P-C4' energy: -137.887
flat angles C4'-P-C4' energy: -151.308
flat angles P-C4'-P energy: -90.009
tors. eta vs tors. theta energy: -178.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1824.638574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.638574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.638574 (E_RNA)
where:
Base-Base interactions energy: -1211.567
where: short stacking energy: -541.058
Base-Backbone interact. energy: -2.215
local terms energy: -610.856730
where:
bonds (distance) C4'-P energy: -120.642
bonds (distance) P-C4' energy: -124.714
flat angles C4'-P-C4' energy: -143.606
flat angles P-C4'-P energy: -88.669
tors. eta vs tors. theta energy: -133.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1200.361497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.361497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.361497 (E_RNA)
where:
Base-Base interactions energy: -737.171
where: short stacking energy: -385.897
Base-Backbone interact. energy: -1.772
local terms energy: -461.418680
where:
bonds (distance) C4'-P energy: -88.832
bonds (distance) P-C4' energy: -108.443
flat angles C4'-P-C4' energy: -125.050
flat angles P-C4'-P energy: -71.915
tors. eta vs tors. theta energy: -67.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1114.735313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.735313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.735313 (E_RNA)
where:
Base-Base interactions energy: -650.982
where: short stacking energy: -326.102
Base-Backbone interact. energy: 0.252
local terms energy: -464.005127
where:
bonds (distance) C4'-P energy: -111.573
bonds (distance) P-C4' energy: -114.046
flat angles C4'-P-C4' energy: -110.591
flat angles P-C4'-P energy: -76.794
tors. eta vs tors. theta energy: -51.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -736.286743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.286743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.286743 (E_RNA)
where:
Base-Base interactions energy: -353.338
where: short stacking energy: -207.828
Base-Backbone interact. energy: 0.480
local terms energy: -383.428054
where:
bonds (distance) C4'-P energy: -112.820
bonds (distance) P-C4' energy: -118.320
flat angles C4'-P-C4' energy: -98.339
flat angles P-C4'-P energy: -69.941
tors. eta vs tors. theta energy: 15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2552.124831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.124831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.124831 (E_RNA)
where:
Base-Base interactions energy: -1736.703
where: short stacking energy: -776.440
Base-Backbone interact. energy: -2.879
local terms energy: -812.542557
where:
bonds (distance) C4'-P energy: -153.585
bonds (distance) P-C4' energy: -143.546
flat angles C4'-P-C4' energy: -165.697
flat angles P-C4'-P energy: -120.426
tors. eta vs tors. theta energy: -229.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2484.595263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.595263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.595263 (E_RNA)
where:
Base-Base interactions energy: -1713.855
where: short stacking energy: -748.324
Base-Backbone interact. energy: -0.605
local terms energy: -770.134950
where:
bonds (distance) C4'-P energy: -135.881
bonds (distance) P-C4' energy: -144.904
flat angles C4'-P-C4' energy: -168.826
flat angles P-C4'-P energy: -109.818
tors. eta vs tors. theta energy: -210.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2350.011566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.011566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.011566 (E_RNA)
where:
Base-Base interactions energy: -1626.901
where: short stacking energy: -672.030
Base-Backbone interact. energy: -0.645
local terms energy: -722.466037
where:
bonds (distance) C4'-P energy: -125.946
bonds (distance) P-C4' energy: -130.523
flat angles C4'-P-C4' energy: -157.021
flat angles P-C4'-P energy: -113.770
tors. eta vs tors. theta energy: -195.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2280.308040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.308040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.308040 (E_RNA)
where:
Base-Base interactions energy: -1544.528
where: short stacking energy: -693.462
Base-Backbone interact. energy: -1.521
local terms energy: -734.259144
where:
bonds (distance) C4'-P energy: -129.201
bonds (distance) P-C4' energy: -146.307
flat angles C4'-P-C4' energy: -169.008
flat angles P-C4'-P energy: -99.922
tors. eta vs tors. theta energy: -189.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2084.318142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.318142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.318142 (E_RNA)
where:
Base-Base interactions energy: -1425.021
where: short stacking energy: -624.185
Base-Backbone interact. energy: -5.636
local terms energy: -653.661463
where:
bonds (distance) C4'-P energy: -121.911
bonds (distance) P-C4' energy: -136.203
flat angles C4'-P-C4' energy: -135.416
flat angles P-C4'-P energy: -99.829
tors. eta vs tors. theta energy: -160.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1903.120508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.120508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.120508 (E_RNA)
where:
Base-Base interactions energy: -1276.703
where: short stacking energy: -564.812
Base-Backbone interact. energy: -2.156
local terms energy: -624.261235
where:
bonds (distance) C4'-P energy: -120.154
bonds (distance) P-C4' energy: -122.947
flat angles C4'-P-C4' energy: -146.792
flat angles P-C4'-P energy: -92.574
tors. eta vs tors. theta energy: -141.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1828.804311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.804311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.804311 (E_RNA)
where:
Base-Base interactions energy: -1229.204
where: short stacking energy: -522.362
Base-Backbone interact. energy: -5.415
local terms energy: -594.185225
where:
bonds (distance) C4'-P energy: -102.144
bonds (distance) P-C4' energy: -128.268
flat angles C4'-P-C4' energy: -135.831
flat angles P-C4'-P energy: -86.990
tors. eta vs tors. theta energy: -140.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1249.613007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.613007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.613007 (E_RNA)
where:
Base-Base interactions energy: -731.880
where: short stacking energy: -365.549
Base-Backbone interact. energy: -4.124
local terms energy: -513.608975
where:
bonds (distance) C4'-P energy: -123.573
bonds (distance) P-C4' energy: -128.622
flat angles C4'-P-C4' energy: -123.594
flat angles P-C4'-P energy: -78.727
tors. eta vs tors. theta energy: -59.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1138.523186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.523186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.523186 (E_RNA)
where:
Base-Base interactions energy: -665.559
where: short stacking energy: -340.109
Base-Backbone interact. energy: 4.914
local terms energy: -477.878037
where:
bonds (distance) C4'-P energy: -132.355
bonds (distance) P-C4' energy: -99.126
flat angles C4'-P-C4' energy: -108.251
flat angles P-C4'-P energy: -84.234
tors. eta vs tors. theta energy: -53.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -700.005939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.005939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.005939 (E_RNA)
where:
Base-Base interactions energy: -314.903
where: short stacking energy: -229.593
Base-Backbone interact. energy: -1.383
local terms energy: -383.720302
where:
bonds (distance) C4'-P energy: -114.501
bonds (distance) P-C4' energy: -125.390
flat angles C4'-P-C4' energy: -75.975
flat angles P-C4'-P energy: -60.533
tors. eta vs tors. theta energy: -7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2544.251675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.251675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.251675 (E_RNA)
where:
Base-Base interactions energy: -1747.522
where: short stacking energy: -797.186
Base-Backbone interact. energy: -3.900
local terms energy: -792.829045
where:
bonds (distance) C4'-P energy: -143.558
bonds (distance) P-C4' energy: -129.897
flat angles C4'-P-C4' energy: -171.055
flat angles P-C4'-P energy: -124.710
tors. eta vs tors. theta energy: -223.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2464.909781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.909781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.909781 (E_RNA)
where:
Base-Base interactions energy: -1688.835
where: short stacking energy: -720.080
Base-Backbone interact. energy: -5.568
local terms energy: -770.506404
where:
bonds (distance) C4'-P energy: -135.460
bonds (distance) P-C4' energy: -149.193
flat angles C4'-P-C4' energy: -162.808
flat angles P-C4'-P energy: -120.349
tors. eta vs tors. theta energy: -202.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2362.566698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.566698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.566698 (E_RNA)
where:
Base-Base interactions energy: -1628.813
where: short stacking energy: -669.088
Base-Backbone interact. energy: 0.043
local terms energy: -733.796619
where:
bonds (distance) C4'-P energy: -133.379
bonds (distance) P-C4' energy: -147.357
flat angles C4'-P-C4' energy: -157.588
flat angles P-C4'-P energy: -111.980
tors. eta vs tors. theta energy: -183.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2261.793012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.793012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.793012 (E_RNA)
where:
Base-Base interactions energy: -1544.707
where: short stacking energy: -667.472
Base-Backbone interact. energy: -3.147
local terms energy: -713.939551
where:
bonds (distance) C4'-P energy: -145.444
bonds (distance) P-C4' energy: -131.606
flat angles C4'-P-C4' energy: -149.010
flat angles P-C4'-P energy: -97.269
tors. eta vs tors. theta energy: -190.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2095.630236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.630236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.630236 (E_RNA)
where:
Base-Base interactions energy: -1390.593
where: short stacking energy: -610.176
Base-Backbone interact. energy: -2.621
local terms energy: -702.416689
where:
bonds (distance) C4'-P energy: -133.119
bonds (distance) P-C4' energy: -129.311
flat angles C4'-P-C4' energy: -149.140
flat angles P-C4'-P energy: -113.072
tors. eta vs tors. theta energy: -177.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1897.637901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.637901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.637901 (E_RNA)
where:
Base-Base interactions energy: -1248.467
where: short stacking energy: -546.985
Base-Backbone interact. energy: -2.715
local terms energy: -646.456009
where:
bonds (distance) C4'-P energy: -136.958
bonds (distance) P-C4' energy: -134.131
flat angles C4'-P-C4' energy: -129.876
flat angles P-C4'-P energy: -98.829
tors. eta vs tors. theta energy: -146.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1833.853582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.853582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.853582 (E_RNA)
where:
Base-Base interactions energy: -1210.471
where: short stacking energy: -528.750
Base-Backbone interact. energy: -1.929
local terms energy: -621.452952
where:
bonds (distance) C4'-P energy: -106.156
bonds (distance) P-C4' energy: -134.722
flat angles C4'-P-C4' energy: -120.397
flat angles P-C4'-P energy: -103.089
tors. eta vs tors. theta energy: -157.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1184.571320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.571320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.571320 (E_RNA)
where:
Base-Base interactions energy: -689.394
where: short stacking energy: -347.080
Base-Backbone interact. energy: 8.200
local terms energy: -503.376667
where:
bonds (distance) C4'-P energy: -121.231
bonds (distance) P-C4' energy: -128.173
flat angles C4'-P-C4' energy: -126.102
flat angles P-C4'-P energy: -68.620
tors. eta vs tors. theta energy: -59.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1147.931499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.931499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.931499 (E_RNA)
where:
Base-Base interactions energy: -677.432
where: short stacking energy: -340.735
Base-Backbone interact. energy: 2.147
local terms energy: -472.646101
where:
bonds (distance) C4'-P energy: -110.564
bonds (distance) P-C4' energy: -130.076
flat angles C4'-P-C4' energy: -96.007
flat angles P-C4'-P energy: -73.698
tors. eta vs tors. theta energy: -62.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -733.596952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.596952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.596952 (E_RNA)
where:
Base-Base interactions energy: -351.013
where: short stacking energy: -193.428
Base-Backbone interact. energy: -2.459
local terms energy: -380.125607
where:
bonds (distance) C4'-P energy: -108.838
bonds (distance) P-C4' energy: -127.107
flat angles C4'-P-C4' energy: -94.525
flat angles P-C4'-P energy: -59.862
tors. eta vs tors. theta energy: 10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2541.982309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.982309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.982309 (E_RNA)
where:
Base-Base interactions energy: -1728.532
where: short stacking energy: -785.572
Base-Backbone interact. energy: -0.486
local terms energy: -812.963802
where:
bonds (distance) C4'-P energy: -148.935
bonds (distance) P-C4' energy: -147.165
flat angles C4'-P-C4' energy: -171.741
flat angles P-C4'-P energy: -112.954
tors. eta vs tors. theta energy: -232.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2445.752752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.752752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.752752 (E_RNA)
where:
Base-Base interactions energy: -1679.824
where: short stacking energy: -722.188
Base-Backbone interact. energy: 1.903
local terms energy: -767.832442
where:
bonds (distance) C4'-P energy: -135.144
bonds (distance) P-C4' energy: -140.227
flat angles C4'-P-C4' energy: -173.404
flat angles P-C4'-P energy: -111.165
tors. eta vs tors. theta energy: -207.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2341.744670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.744670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.744670 (E_RNA)
where:
Base-Base interactions energy: -1617.083
where: short stacking energy: -686.016
Base-Backbone interact. energy: -3.048
local terms energy: -721.613626
where:
bonds (distance) C4'-P energy: -129.723
bonds (distance) P-C4' energy: -142.382
flat angles C4'-P-C4' energy: -149.626
flat angles P-C4'-P energy: -116.873
tors. eta vs tors. theta energy: -183.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2284.133388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.133388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.133388 (E_RNA)
where:
Base-Base interactions energy: -1552.669
where: short stacking energy: -685.509
Base-Backbone interact. energy: 0.959
local terms energy: -732.422921
where:
bonds (distance) C4'-P energy: -127.837
bonds (distance) P-C4' energy: -133.833
flat angles C4'-P-C4' energy: -153.326
flat angles P-C4'-P energy: -111.452
tors. eta vs tors. theta energy: -205.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2095.444179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.444179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.444179 (E_RNA)
where:
Base-Base interactions energy: -1423.883
where: short stacking energy: -641.908
Base-Backbone interact. energy: -4.339
local terms energy: -667.222139
where:
bonds (distance) C4'-P energy: -114.234
bonds (distance) P-C4' energy: -124.125
flat angles C4'-P-C4' energy: -136.194
flat angles P-C4'-P energy: -107.956
tors. eta vs tors. theta energy: -184.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1920.247883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.247883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.247883 (E_RNA)
where:
Base-Base interactions energy: -1278.965
where: short stacking energy: -572.598
Base-Backbone interact. energy: -1.970
local terms energy: -639.313319
where:
bonds (distance) C4'-P energy: -104.375
bonds (distance) P-C4' energy: -130.557
flat angles C4'-P-C4' energy: -156.202
flat angles P-C4'-P energy: -86.532
tors. eta vs tors. theta energy: -161.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1810.477320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.477320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.477320 (E_RNA)
where:
Base-Base interactions energy: -1182.371
where: short stacking energy: -532.019
Base-Backbone interact. energy: -1.546
local terms energy: -626.560266
where:
bonds (distance) C4'-P energy: -138.285
bonds (distance) P-C4' energy: -110.034
flat angles C4'-P-C4' energy: -131.535
flat angles P-C4'-P energy: -102.397
tors. eta vs tors. theta energy: -144.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1177.822668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.822668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.822668 (E_RNA)
where:
Base-Base interactions energy: -754.562
where: short stacking energy: -397.200
Base-Backbone interact. energy: -1.523
local terms energy: -421.737623
where:
bonds (distance) C4'-P energy: -117.859
bonds (distance) P-C4' energy: -93.837
flat angles C4'-P-C4' energy: -111.422
flat angles P-C4'-P energy: -48.025
tors. eta vs tors. theta energy: -50.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1120.753711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.753711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.753711 (E_RNA)
where:
Base-Base interactions energy: -651.434
where: short stacking energy: -333.857
Base-Backbone interact. energy: -1.102
local terms energy: -468.216953
where:
bonds (distance) C4'-P energy: -107.459
bonds (distance) P-C4' energy: -119.505
flat angles C4'-P-C4' energy: -124.347
flat angles P-C4'-P energy: -76.109
tors. eta vs tors. theta energy: -40.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -782.987732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.987732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.987732 (E_RNA)
where:
Base-Base interactions energy: -376.274
where: short stacking energy: -203.610
Base-Backbone interact. energy: 3.242
local terms energy: -409.955665
where:
bonds (distance) C4'-P energy: -102.843
bonds (distance) P-C4' energy: -125.559
flat angles C4'-P-C4' energy: -118.826
flat angles P-C4'-P energy: -73.444
tors. eta vs tors. theta energy: 10.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2518.779037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.779037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.779037 (E_RNA)
where:
Base-Base interactions energy: -1683.949
where: short stacking energy: -758.066
Base-Backbone interact. energy: -3.854
local terms energy: -830.975985
where:
bonds (distance) C4'-P energy: -146.341
bonds (distance) P-C4' energy: -151.353
flat angles C4'-P-C4' energy: -176.292
flat angles P-C4'-P energy: -123.689
tors. eta vs tors. theta energy: -233.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2428.847160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.847160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.847160 (E_RNA)
where:
Base-Base interactions energy: -1684.412
where: short stacking energy: -726.899
Base-Backbone interact. energy: -1.792
local terms energy: -742.642768
where:
bonds (distance) C4'-P energy: -139.124
bonds (distance) P-C4' energy: -138.827
flat angles C4'-P-C4' energy: -155.461
flat angles P-C4'-P energy: -106.565
tors. eta vs tors. theta energy: -202.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2314.360904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.360904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.360904 (E_RNA)
where:
Base-Base interactions energy: -1598.326
where: short stacking energy: -657.458
Base-Backbone interact. energy: -2.012
local terms energy: -714.023566
where:
bonds (distance) C4'-P energy: -133.058
bonds (distance) P-C4' energy: -141.428
flat angles C4'-P-C4' energy: -149.675
flat angles P-C4'-P energy: -100.354
tors. eta vs tors. theta energy: -189.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2280.547509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.547509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.547509 (E_RNA)
where:
Base-Base interactions energy: -1576.568
where: short stacking energy: -710.750
Base-Backbone interact. energy: -3.762
local terms energy: -700.217974
where:
bonds (distance) C4'-P energy: -119.741
bonds (distance) P-C4' energy: -132.543
flat angles C4'-P-C4' energy: -155.652
flat angles P-C4'-P energy: -92.379
tors. eta vs tors. theta energy: -199.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2146.370168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.370168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.370168 (E_RNA)
where:
Base-Base interactions energy: -1434.008
where: short stacking energy: -649.377
Base-Backbone interact. energy: -4.123
local terms energy: -708.239274
where:
bonds (distance) C4'-P energy: -131.287
bonds (distance) P-C4' energy: -136.638
flat angles C4'-P-C4' energy: -152.490
flat angles P-C4'-P energy: -103.574
tors. eta vs tors. theta energy: -184.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1908.106884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.106884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.106884 (E_RNA)
where:
Base-Base interactions energy: -1291.937
where: short stacking energy: -560.317
Base-Backbone interact. energy: -1.765
local terms energy: -614.404916
where:
bonds (distance) C4'-P energy: -120.286
bonds (distance) P-C4' energy: -127.676
flat angles C4'-P-C4' energy: -138.235
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -151.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1807.204216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.204216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.204216 (E_RNA)
where:
Base-Base interactions energy: -1199.246
where: short stacking energy: -539.954
Base-Backbone interact. energy: -0.601
local terms energy: -607.357321
where:
bonds (distance) C4'-P energy: -103.864
bonds (distance) P-C4' energy: -133.801
flat angles C4'-P-C4' energy: -133.974
flat angles P-C4'-P energy: -95.416
tors. eta vs tors. theta energy: -140.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1175.259814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.259814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.259814 (E_RNA)
where:
Base-Base interactions energy: -718.121
where: short stacking energy: -328.226
Base-Backbone interact. energy: -1.223
local terms energy: -455.916024
where:
bonds (distance) C4'-P energy: -108.739
bonds (distance) P-C4' energy: -120.735
flat angles C4'-P-C4' energy: -116.147
flat angles P-C4'-P energy: -66.732
tors. eta vs tors. theta energy: -43.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1067.950833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.950833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.950833 (E_RNA)
where:
Base-Base interactions energy: -650.530
where: short stacking energy: -313.135
Base-Backbone interact. energy: 6.024
local terms energy: -423.444030
where:
bonds (distance) C4'-P energy: -104.507
bonds (distance) P-C4' energy: -125.551
flat angles C4'-P-C4' energy: -111.391
flat angles P-C4'-P energy: -68.030
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -709.291331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.291331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.291331 (E_RNA)
where:
Base-Base interactions energy: -328.392
where: short stacking energy: -199.127
Base-Backbone interact. energy: 1.277
local terms energy: -382.176762
where:
bonds (distance) C4'-P energy: -92.699
bonds (distance) P-C4' energy: -121.847
flat angles C4'-P-C4' energy: -101.161
flat angles P-C4'-P energy: -63.850
tors. eta vs tors. theta energy: -2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2540.354453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.354453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.354453 (E_RNA)
where:
Base-Base interactions energy: -1709.110
where: short stacking energy: -773.767
Base-Backbone interact. energy: -4.541
local terms energy: -826.703124
where:
bonds (distance) C4'-P energy: -141.760
bonds (distance) P-C4' energy: -161.886
flat angles C4'-P-C4' energy: -175.947
flat angles P-C4'-P energy: -113.437
tors. eta vs tors. theta energy: -233.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2460.609851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.609851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.609851 (E_RNA)
where:
Base-Base interactions energy: -1682.647
where: short stacking energy: -742.607
Base-Backbone interact. energy: -4.968
local terms energy: -772.994871
where:
bonds (distance) C4'-P energy: -133.155
bonds (distance) P-C4' energy: -159.299
flat angles C4'-P-C4' energy: -165.873
flat angles P-C4'-P energy: -111.395
tors. eta vs tors. theta energy: -203.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2321.545535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.545535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.545535 (E_RNA)
where:
Base-Base interactions energy: -1599.480
where: short stacking energy: -693.025
Base-Backbone interact. energy: 1.937
local terms energy: -724.003236
where:
bonds (distance) C4'-P energy: -134.613
bonds (distance) P-C4' energy: -145.216
flat angles C4'-P-C4' energy: -155.551
flat angles P-C4'-P energy: -104.859
tors. eta vs tors. theta energy: -183.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2317.429885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.429885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.429885 (E_RNA)
where:
Base-Base interactions energy: -1593.436
where: short stacking energy: -696.308
Base-Backbone interact. energy: 0.337
local terms energy: -724.331141
where:
bonds (distance) C4'-P energy: -135.538
bonds (distance) P-C4' energy: -132.133
flat angles C4'-P-C4' energy: -153.799
flat angles P-C4'-P energy: -103.132
tors. eta vs tors. theta energy: -199.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2034.141940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.141940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.141940 (E_RNA)
where:
Base-Base interactions energy: -1358.880
where: short stacking energy: -609.481
Base-Backbone interact. energy: -1.293
local terms energy: -673.968427
where:
bonds (distance) C4'-P energy: -120.649
bonds (distance) P-C4' energy: -155.408
flat angles C4'-P-C4' energy: -153.771
flat angles P-C4'-P energy: -80.343
tors. eta vs tors. theta energy: -163.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1944.667106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.667106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.667106 (E_RNA)
where:
Base-Base interactions energy: -1317.964
where: short stacking energy: -588.360
Base-Backbone interact. energy: -2.538
local terms energy: -624.165079
where:
bonds (distance) C4'-P energy: -121.460
bonds (distance) P-C4' energy: -132.251
flat angles C4'-P-C4' energy: -138.135
flat angles P-C4'-P energy: -70.760
tors. eta vs tors. theta energy: -161.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1800.432387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.432387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.432387 (E_RNA)
where:
Base-Base interactions energy: -1192.148
where: short stacking energy: -535.152
Base-Backbone interact. energy: -4.577
local terms energy: -603.707223
where:
bonds (distance) C4'-P energy: -116.985
bonds (distance) P-C4' energy: -113.404
flat angles C4'-P-C4' energy: -146.465
flat angles P-C4'-P energy: -88.371
tors. eta vs tors. theta energy: -138.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1264.841253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.841253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.841253 (E_RNA)
where:
Base-Base interactions energy: -738.681
where: short stacking energy: -363.614
Base-Backbone interact. energy: 2.270
local terms energy: -528.430256
where:
bonds (distance) C4'-P energy: -131.483
bonds (distance) P-C4' energy: -140.172
flat angles C4'-P-C4' energy: -123.241
flat angles P-C4'-P energy: -64.239
tors. eta vs tors. theta energy: -69.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1067.264285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.264285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.264285 (E_RNA)
where:
Base-Base interactions energy: -603.536
where: short stacking energy: -321.499
Base-Backbone interact. energy: 5.089
local terms energy: -468.817121
where:
bonds (distance) C4'-P energy: -130.616
bonds (distance) P-C4' energy: -114.824
flat angles C4'-P-C4' energy: -111.673
flat angles P-C4'-P energy: -79.181
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -665.483281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.483281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.483281 (E_RNA)
where:
Base-Base interactions energy: -273.294
where: short stacking energy: -154.579
Base-Backbone interact. energy: 1.968
local terms energy: -394.157059
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -128.657
flat angles C4'-P-C4' energy: -100.866
flat angles P-C4'-P energy: -56.979
tors. eta vs tors. theta energy: 11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2548.574967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.574967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.574967 (E_RNA)
where:
Base-Base interactions energy: -1723.805
where: short stacking energy: -778.659
Base-Backbone interact. energy: -4.508
local terms energy: -820.261911
where:
bonds (distance) C4'-P energy: -146.907
bonds (distance) P-C4' energy: -157.155
flat angles C4'-P-C4' energy: -176.949
flat angles P-C4'-P energy: -116.066
tors. eta vs tors. theta energy: -223.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2416.577655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.577655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.577655 (E_RNA)
where:
Base-Base interactions energy: -1660.415
where: short stacking energy: -732.935
Base-Backbone interact. energy: -3.479
local terms energy: -752.683521
where:
bonds (distance) C4'-P energy: -151.343
bonds (distance) P-C4' energy: -150.802
flat angles C4'-P-C4' energy: -152.568
flat angles P-C4'-P energy: -99.539
tors. eta vs tors. theta energy: -198.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2312.613688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.613688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.613688 (E_RNA)
where:
Base-Base interactions energy: -1598.262
where: short stacking energy: -690.931
Base-Backbone interact. energy: 0.758
local terms energy: -715.109552
where:
bonds (distance) C4'-P energy: -111.668
bonds (distance) P-C4' energy: -143.616
flat angles C4'-P-C4' energy: -159.694
flat angles P-C4'-P energy: -107.254
tors. eta vs tors. theta energy: -192.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2249.855238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.855238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.855238 (E_RNA)
where:
Base-Base interactions energy: -1512.557
where: short stacking energy: -678.619
Base-Backbone interact. energy: -3.810
local terms energy: -733.488366
where:
bonds (distance) C4'-P energy: -133.949
bonds (distance) P-C4' energy: -142.583
flat angles C4'-P-C4' energy: -168.492
flat angles P-C4'-P energy: -101.101
tors. eta vs tors. theta energy: -187.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2039.768328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.768328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.768328 (E_RNA)
where:
Base-Base interactions energy: -1359.971
where: short stacking energy: -601.118
Base-Backbone interact. energy: 4.663
local terms energy: -684.460797
where:
bonds (distance) C4'-P energy: -120.420
bonds (distance) P-C4' energy: -133.000
flat angles C4'-P-C4' energy: -166.474
flat angles P-C4'-P energy: -97.849
tors. eta vs tors. theta energy: -166.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2041.078729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.078729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.078729 (E_RNA)
where:
Base-Base interactions energy: -1389.169
where: short stacking energy: -603.542
Base-Backbone interact. energy: 1.785
local terms energy: -653.694814
where:
bonds (distance) C4'-P energy: -130.359
bonds (distance) P-C4' energy: -139.509
flat angles C4'-P-C4' energy: -142.891
flat angles P-C4'-P energy: -80.851
tors. eta vs tors. theta energy: -160.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1772.928733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.928733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.928733 (E_RNA)
where:
Base-Base interactions energy: -1152.779
where: short stacking energy: -508.941
Base-Backbone interact. energy: 1.955
local terms energy: -622.104860
where:
bonds (distance) C4'-P energy: -128.220
bonds (distance) P-C4' energy: -128.707
flat angles C4'-P-C4' energy: -127.086
flat angles P-C4'-P energy: -97.256
tors. eta vs tors. theta energy: -140.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1316.677396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.677396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.677396 (E_RNA)
where:
Base-Base interactions energy: -810.223
where: short stacking energy: -398.677
Base-Backbone interact. energy: -0.334
local terms energy: -506.119674
where:
bonds (distance) C4'-P energy: -131.307
bonds (distance) P-C4' energy: -119.533
flat angles C4'-P-C4' energy: -118.001
flat angles P-C4'-P energy: -59.490
tors. eta vs tors. theta energy: -77.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1071.618142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.618142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.618142 (E_RNA)
where:
Base-Base interactions energy: -632.063
where: short stacking energy: -328.501
Base-Backbone interact. energy: -2.528
local terms energy: -437.027881
where:
bonds (distance) C4'-P energy: -110.750
bonds (distance) P-C4' energy: -128.126
flat angles C4'-P-C4' energy: -92.936
flat angles P-C4'-P energy: -65.765
tors. eta vs tors. theta energy: -39.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -696.651395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.651395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.651395 (E_RNA)
where:
Base-Base interactions energy: -307.498
where: short stacking energy: -195.935
Base-Backbone interact. energy: -1.355
local terms energy: -387.798162
where:
bonds (distance) C4'-P energy: -127.386
bonds (distance) P-C4' energy: -128.871
flat angles C4'-P-C4' energy: -81.690
flat angles P-C4'-P energy: -72.076
tors. eta vs tors. theta energy: 22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2505.034072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.034072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.034072 (E_RNA)
where:
Base-Base interactions energy: -1697.497
where: short stacking energy: -744.023
Base-Backbone interact. energy: -2.832
local terms energy: -804.704541
where:
bonds (distance) C4'-P energy: -140.134
bonds (distance) P-C4' energy: -153.200
flat angles C4'-P-C4' energy: -162.943
flat angles P-C4'-P energy: -122.133
tors. eta vs tors. theta energy: -226.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2452.769218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.769218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.769218 (E_RNA)
where:
Base-Base interactions energy: -1715.743
where: short stacking energy: -749.879
Base-Backbone interact. energy: -2.006
local terms energy: -735.019873
where:
bonds (distance) C4'-P energy: -129.233
bonds (distance) P-C4' energy: -143.485
flat angles C4'-P-C4' energy: -164.547
flat angles P-C4'-P energy: -97.814
tors. eta vs tors. theta energy: -199.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2303.801432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.801432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.801432 (E_RNA)
where:
Base-Base interactions energy: -1580.511
where: short stacking energy: -682.400
Base-Backbone interact. energy: -4.081
local terms energy: -719.209657
where:
bonds (distance) C4'-P energy: -137.093
bonds (distance) P-C4' energy: -127.899
flat angles C4'-P-C4' energy: -158.765
flat angles P-C4'-P energy: -104.364
tors. eta vs tors. theta energy: -191.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2319.762566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.762566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.762566 (E_RNA)
where:
Base-Base interactions energy: -1581.149
where: short stacking energy: -697.227
Base-Backbone interact. energy: -5.690
local terms energy: -732.923502
where:
bonds (distance) C4'-P energy: -144.897
bonds (distance) P-C4' energy: -138.623
flat angles C4'-P-C4' energy: -139.198
flat angles P-C4'-P energy: -107.520
tors. eta vs tors. theta energy: -202.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2130.056261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.056261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.056261 (E_RNA)
where:
Base-Base interactions energy: -1441.489
where: short stacking energy: -626.213
Base-Backbone interact. energy: 1.166
local terms energy: -689.732762
where:
bonds (distance) C4'-P energy: -137.837
bonds (distance) P-C4' energy: -126.356
flat angles C4'-P-C4' energy: -154.992
flat angles P-C4'-P energy: -89.386
tors. eta vs tors. theta energy: -181.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1925.288692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.288692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.288692 (E_RNA)
where:
Base-Base interactions energy: -1286.708
where: short stacking energy: -557.297
Base-Backbone interact. energy: 2.580
local terms energy: -641.161234
where:
bonds (distance) C4'-P energy: -124.962
bonds (distance) P-C4' energy: -131.310
flat angles C4'-P-C4' energy: -140.003
flat angles P-C4'-P energy: -86.710
tors. eta vs tors. theta energy: -158.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1695.522576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.522576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.522576 (E_RNA)
where:
Base-Base interactions energy: -1120.378
where: short stacking energy: -496.903
Base-Backbone interact. energy: 3.423
local terms energy: -578.566807
where:
bonds (distance) C4'-P energy: -129.560
bonds (distance) P-C4' energy: -124.014
flat angles C4'-P-C4' energy: -132.700
flat angles P-C4'-P energy: -68.703
tors. eta vs tors. theta energy: -123.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1281.770229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.770229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.770229 (E_RNA)
where:
Base-Base interactions energy: -807.381
where: short stacking energy: -379.334
Base-Backbone interact. energy: -2.005
local terms energy: -472.383892
where:
bonds (distance) C4'-P energy: -113.953
bonds (distance) P-C4' energy: -110.149
flat angles C4'-P-C4' energy: -116.048
flat angles P-C4'-P energy: -67.366
tors. eta vs tors. theta energy: -64.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1153.640750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.640750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.640750 (E_RNA)
where:
Base-Base interactions energy: -680.810
where: short stacking energy: -351.663
Base-Backbone interact. energy: 2.405
local terms energy: -475.235782
where:
bonds (distance) C4'-P energy: -119.268
bonds (distance) P-C4' energy: -133.274
flat angles C4'-P-C4' energy: -99.118
flat angles P-C4'-P energy: -77.454
tors. eta vs tors. theta energy: -46.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -746.081926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.081926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.081926 (E_RNA)
where:
Base-Base interactions energy: -341.525
where: short stacking energy: -202.997
Base-Backbone interact. energy: 8.063
local terms energy: -412.619976
where:
bonds (distance) C4'-P energy: -113.277
bonds (distance) P-C4' energy: -129.109
flat angles C4'-P-C4' energy: -116.004
flat angles P-C4'-P energy: -65.496
tors. eta vs tors. theta energy: 11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2534.428304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.428304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.428304 (E_RNA)
where:
Base-Base interactions energy: -1725.443
where: short stacking energy: -737.352
Base-Backbone interact. energy: -0.364
local terms energy: -808.620769
where:
bonds (distance) C4'-P energy: -159.528
bonds (distance) P-C4' energy: -151.306
flat angles C4'-P-C4' energy: -156.890
flat angles P-C4'-P energy: -116.246
tors. eta vs tors. theta energy: -224.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2435.626994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.626994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.626994 (E_RNA)
where:
Base-Base interactions energy: -1703.025
where: short stacking energy: -709.781
Base-Backbone interact. energy: -5.381
local terms energy: -727.221395
where:
bonds (distance) C4'-P energy: -138.712
bonds (distance) P-C4' energy: -141.693
flat angles C4'-P-C4' energy: -162.141
flat angles P-C4'-P energy: -92.496
tors. eta vs tors. theta energy: -192.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2351.341414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.341414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.341414 (E_RNA)
where:
Base-Base interactions energy: -1602.718
where: short stacking energy: -659.847
Base-Backbone interact. energy: 1.073
local terms energy: -749.696845
where:
bonds (distance) C4'-P energy: -143.828
bonds (distance) P-C4' energy: -154.462
flat angles C4'-P-C4' energy: -153.665
flat angles P-C4'-P energy: -100.049
tors. eta vs tors. theta energy: -197.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2248.392109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.392109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.392109 (E_RNA)
where:
Base-Base interactions energy: -1548.479
where: short stacking energy: -662.804
Base-Backbone interact. energy: -0.749
local terms energy: -699.164461
where:
bonds (distance) C4'-P energy: -143.385
bonds (distance) P-C4' energy: -138.696
flat angles C4'-P-C4' energy: -144.950
flat angles P-C4'-P energy: -95.001
tors. eta vs tors. theta energy: -177.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2125.465040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.465040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.465040 (E_RNA)
where:
Base-Base interactions energy: -1427.561
where: short stacking energy: -635.271
Base-Backbone interact. energy: -0.626
local terms energy: -697.277396
where:
bonds (distance) C4'-P energy: -131.227
bonds (distance) P-C4' energy: -143.191
flat angles C4'-P-C4' energy: -150.095
flat angles P-C4'-P energy: -84.107
tors. eta vs tors. theta energy: -188.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1985.714255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.714255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.714255 (E_RNA)
where:
Base-Base interactions energy: -1334.067
where: short stacking energy: -589.302
Base-Backbone interact. energy: -1.406
local terms energy: -650.240548
where:
bonds (distance) C4'-P energy: -131.126
bonds (distance) P-C4' energy: -117.878
flat angles C4'-P-C4' energy: -140.737
flat angles P-C4'-P energy: -95.229
tors. eta vs tors. theta energy: -165.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1650.827989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.827989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.827989 (E_RNA)
where:
Base-Base interactions energy: -1082.139
where: short stacking energy: -491.422
Base-Backbone interact. energy: -1.879
local terms energy: -566.809970
where:
bonds (distance) C4'-P energy: -120.112
bonds (distance) P-C4' energy: -119.914
flat angles C4'-P-C4' energy: -129.945
flat angles P-C4'-P energy: -77.840
tors. eta vs tors. theta energy: -118.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1250.504931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.504931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.504931 (E_RNA)
where:
Base-Base interactions energy: -754.493
where: short stacking energy: -381.376
Base-Backbone interact. energy: 1.002
local terms energy: -497.014471
where:
bonds (distance) C4'-P energy: -136.720
bonds (distance) P-C4' energy: -129.898
flat angles C4'-P-C4' energy: -117.278
flat angles P-C4'-P energy: -58.653
tors. eta vs tors. theta energy: -54.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1166.388084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.388084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.388084 (E_RNA)
where:
Base-Base interactions energy: -710.196
where: short stacking energy: -357.077
Base-Backbone interact. energy: -3.201
local terms energy: -452.991442
where:
bonds (distance) C4'-P energy: -94.756
bonds (distance) P-C4' energy: -111.889
flat angles C4'-P-C4' energy: -136.062
flat angles P-C4'-P energy: -64.360
tors. eta vs tors. theta energy: -45.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -735.188818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.188818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.188818 (E_RNA)
where:
Base-Base interactions energy: -368.171
where: short stacking energy: -193.206
Base-Backbone interact. energy: -4.485
local terms energy: -362.532758
where:
bonds (distance) C4'-P energy: -119.136
bonds (distance) P-C4' energy: -97.338
flat angles C4'-P-C4' energy: -93.000
flat angles P-C4'-P energy: -62.091
tors. eta vs tors. theta energy: 9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2556.684411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.684411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.684411 (E_RNA)
where:
Base-Base interactions energy: -1730.377
where: short stacking energy: -769.403
Base-Backbone interact. energy: -5.238
local terms energy: -821.068776
where:
bonds (distance) C4'-P energy: -146.673
bonds (distance) P-C4' energy: -145.697
flat angles C4'-P-C4' energy: -171.662
flat angles P-C4'-P energy: -127.939
tors. eta vs tors. theta energy: -229.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2461.376419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.376419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.376419 (E_RNA)
where:
Base-Base interactions energy: -1691.303
where: short stacking energy: -705.301
Base-Backbone interact. energy: -5.240
local terms energy: -764.834183
where:
bonds (distance) C4'-P energy: -132.778
bonds (distance) P-C4' energy: -141.204
flat angles C4'-P-C4' energy: -179.920
flat angles P-C4'-P energy: -107.347
tors. eta vs tors. theta energy: -203.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2328.455828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.455828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.455828 (E_RNA)
where:
Base-Base interactions energy: -1606.622
where: short stacking energy: -679.900
Base-Backbone interact. energy: 1.339
local terms energy: -723.172707
where:
bonds (distance) C4'-P energy: -139.004
bonds (distance) P-C4' energy: -119.507
flat angles C4'-P-C4' energy: -152.506
flat angles P-C4'-P energy: -105.630
tors. eta vs tors. theta energy: -206.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2276.380702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.380702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.380702 (E_RNA)
where:
Base-Base interactions energy: -1551.834
where: short stacking energy: -696.345
Base-Backbone interact. energy: -3.781
local terms energy: -720.765841
where:
bonds (distance) C4'-P energy: -142.048
bonds (distance) P-C4' energy: -128.971
flat angles C4'-P-C4' energy: -148.674
flat angles P-C4'-P energy: -103.676
tors. eta vs tors. theta energy: -197.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2110.504473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.504473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.504473 (E_RNA)
where:
Base-Base interactions energy: -1424.665
where: short stacking energy: -635.410
Base-Backbone interact. energy: -4.171
local terms energy: -681.668285
where:
bonds (distance) C4'-P energy: -117.157
bonds (distance) P-C4' energy: -138.451
flat angles C4'-P-C4' energy: -135.676
flat angles P-C4'-P energy: -98.959
tors. eta vs tors. theta energy: -191.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1998.969119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.969119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.969119 (E_RNA)
where:
Base-Base interactions energy: -1340.394
where: short stacking energy: -600.635
Base-Backbone interact. energy: -2.153
local terms energy: -656.421960
where:
bonds (distance) C4'-P energy: -127.371
bonds (distance) P-C4' energy: -133.950
flat angles C4'-P-C4' energy: -152.873
flat angles P-C4'-P energy: -85.270
tors. eta vs tors. theta energy: -156.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1626.946164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.946164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.946164 (E_RNA)
where:
Base-Base interactions energy: -1013.412
where: short stacking energy: -458.752
Base-Backbone interact. energy: -3.280
local terms energy: -610.253831
where:
bonds (distance) C4'-P energy: -131.735
bonds (distance) P-C4' energy: -139.234
flat angles C4'-P-C4' energy: -144.987
flat angles P-C4'-P energy: -89.569
tors. eta vs tors. theta energy: -104.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1358.784983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.784983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.784983 (E_RNA)
where:
Base-Base interactions energy: -823.155
where: short stacking energy: -416.273
Base-Backbone interact. energy: 3.599
local terms energy: -539.229291
where:
bonds (distance) C4'-P energy: -126.209
bonds (distance) P-C4' energy: -137.126
flat angles C4'-P-C4' energy: -129.684
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -73.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1166.583955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.583955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.583955 (E_RNA)
where:
Base-Base interactions energy: -715.230
where: short stacking energy: -336.380
Base-Backbone interact. energy: -2.394
local terms energy: -448.959691
where:
bonds (distance) C4'-P energy: -93.720
bonds (distance) P-C4' energy: -137.808
flat angles C4'-P-C4' energy: -99.690
flat angles P-C4'-P energy: -76.333
tors. eta vs tors. theta energy: -41.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -834.120318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.120318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.120318 (E_RNA)
where:
Base-Base interactions energy: -451.334
where: short stacking energy: -225.257
Base-Backbone interact. energy: -0.751
local terms energy: -382.035470
where:
bonds (distance) C4'-P energy: -114.704
bonds (distance) P-C4' energy: -107.569
flat angles C4'-P-C4' energy: -110.868
flat angles P-C4'-P energy: -55.506
tors. eta vs tors. theta energy: 6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2535.892788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.892788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.892788 (E_RNA)
where:
Base-Base interactions energy: -1720.522
where: short stacking energy: -791.416
Base-Backbone interact. energy: -3.162
local terms energy: -812.208354
where:
bonds (distance) C4'-P energy: -139.206
bonds (distance) P-C4' energy: -151.392
flat angles C4'-P-C4' energy: -171.033
flat angles P-C4'-P energy: -116.444
tors. eta vs tors. theta energy: -234.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2417.698587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.698587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.698587 (E_RNA)
where:
Base-Base interactions energy: -1672.357
where: short stacking energy: -702.571
Base-Backbone interact. energy: -3.696
local terms energy: -741.646118
where:
bonds (distance) C4'-P energy: -126.538
bonds (distance) P-C4' energy: -133.271
flat angles C4'-P-C4' energy: -168.477
flat angles P-C4'-P energy: -110.547
tors. eta vs tors. theta energy: -202.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2280.927191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.927191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.927191 (E_RNA)
where:
Base-Base interactions energy: -1569.279
where: short stacking energy: -659.310
Base-Backbone interact. energy: -0.215
local terms energy: -711.432911
where:
bonds (distance) C4'-P energy: -131.493
bonds (distance) P-C4' energy: -130.378
flat angles C4'-P-C4' energy: -153.498
flat angles P-C4'-P energy: -113.960
tors. eta vs tors. theta energy: -182.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2294.034601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.034601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.034601 (E_RNA)
where:
Base-Base interactions energy: -1567.648
where: short stacking energy: -678.204
Base-Backbone interact. energy: -5.531
local terms energy: -720.855369
where:
bonds (distance) C4'-P energy: -133.420
bonds (distance) P-C4' energy: -135.352
flat angles C4'-P-C4' energy: -162.703
flat angles P-C4'-P energy: -94.741
tors. eta vs tors. theta energy: -194.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2099.593069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.593069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.593069 (E_RNA)
where:
Base-Base interactions energy: -1423.132
where: short stacking energy: -636.567
Base-Backbone interact. energy: 2.181
local terms energy: -678.642529
where:
bonds (distance) C4'-P energy: -104.376
bonds (distance) P-C4' energy: -141.546
flat angles C4'-P-C4' energy: -153.860
flat angles P-C4'-P energy: -90.585
tors. eta vs tors. theta energy: -188.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1913.680155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.680155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.680155 (E_RNA)
where:
Base-Base interactions energy: -1249.223
where: short stacking energy: -543.728
Base-Backbone interact. energy: -4.745
local terms energy: -659.712612
where:
bonds (distance) C4'-P energy: -131.653
bonds (distance) P-C4' energy: -130.118
flat angles C4'-P-C4' energy: -143.311
flat angles P-C4'-P energy: -90.414
tors. eta vs tors. theta energy: -164.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1674.754866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.754866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.754866 (E_RNA)
where:
Base-Base interactions energy: -1087.730
where: short stacking energy: -475.705
Base-Backbone interact. energy: -3.392
local terms energy: -583.632390
where:
bonds (distance) C4'-P energy: -133.841
bonds (distance) P-C4' energy: -119.537
flat angles C4'-P-C4' energy: -129.424
flat angles P-C4'-P energy: -85.247
tors. eta vs tors. theta energy: -115.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1324.945889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.945889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.945889 (E_RNA)
where:
Base-Base interactions energy: -837.706
where: short stacking energy: -390.455
Base-Backbone interact. energy: 0.165
local terms energy: -487.405572
where:
bonds (distance) C4'-P energy: -108.855
bonds (distance) P-C4' energy: -113.591
flat angles C4'-P-C4' energy: -117.157
flat angles P-C4'-P energy: -71.386
tors. eta vs tors. theta energy: -76.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1276.028572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.028572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.028572 (E_RNA)
where:
Base-Base interactions energy: -762.902
where: short stacking energy: -359.077
Base-Backbone interact. energy: 1.761
local terms energy: -514.887878
where:
bonds (distance) C4'-P energy: -125.013
bonds (distance) P-C4' energy: -127.112
flat angles C4'-P-C4' energy: -115.690
flat angles P-C4'-P energy: -78.244
tors. eta vs tors. theta energy: -68.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -860.315538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.315538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.315538 (E_RNA)
where:
Base-Base interactions energy: -461.867
where: short stacking energy: -259.928
Base-Backbone interact. energy: -1.584
local terms energy: -396.864598
where:
bonds (distance) C4'-P energy: -92.136
bonds (distance) P-C4' energy: -125.386
flat angles C4'-P-C4' energy: -100.420
flat angles P-C4'-P energy: -57.250
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2536.598372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.598372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.598372 (E_RNA)
where:
Base-Base interactions energy: -1746.518
where: short stacking energy: -765.444
Base-Backbone interact. energy: -3.577
local terms energy: -786.503071
where:
bonds (distance) C4'-P energy: -146.561
bonds (distance) P-C4' energy: -144.807
flat angles C4'-P-C4' energy: -167.267
flat angles P-C4'-P energy: -103.345
tors. eta vs tors. theta energy: -224.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2439.091306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.091306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.091306 (E_RNA)
where:
Base-Base interactions energy: -1669.873
where: short stacking energy: -713.736
Base-Backbone interact. energy: -2.675
local terms energy: -766.542624
where:
bonds (distance) C4'-P energy: -152.263
bonds (distance) P-C4' energy: -147.605
flat angles C4'-P-C4' energy: -150.068
flat angles P-C4'-P energy: -117.023
tors. eta vs tors. theta energy: -199.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2349.984514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.984514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.984514 (E_RNA)
where:
Base-Base interactions energy: -1627.165
where: short stacking energy: -664.432
Base-Backbone interact. energy: -4.121
local terms energy: -718.698583
where:
bonds (distance) C4'-P energy: -119.858
bonds (distance) P-C4' energy: -152.121
flat angles C4'-P-C4' energy: -148.059
flat angles P-C4'-P energy: -97.356
tors. eta vs tors. theta energy: -201.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2264.384588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.384588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.384588 (E_RNA)
where:
Base-Base interactions energy: -1541.531
where: short stacking energy: -655.938
Base-Backbone interact. energy: -5.670
local terms energy: -717.183494
where:
bonds (distance) C4'-P energy: -124.996
bonds (distance) P-C4' energy: -144.528
flat angles C4'-P-C4' energy: -164.799
flat angles P-C4'-P energy: -100.713
tors. eta vs tors. theta energy: -182.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2126.976632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.976632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.976632 (E_RNA)
where:
Base-Base interactions energy: -1413.143
where: short stacking energy: -633.549
Base-Backbone interact. energy: -2.440
local terms energy: -711.393028
where:
bonds (distance) C4'-P energy: -132.873
bonds (distance) P-C4' energy: -152.128
flat angles C4'-P-C4' energy: -143.034
flat angles P-C4'-P energy: -92.138
tors. eta vs tors. theta energy: -191.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1891.614069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.614069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.614069 (E_RNA)
where:
Base-Base interactions energy: -1265.561
where: short stacking energy: -572.243
Base-Backbone interact. energy: 2.341
local terms energy: -628.393996
where:
bonds (distance) C4'-P energy: -109.763
bonds (distance) P-C4' energy: -132.296
flat angles C4'-P-C4' energy: -147.760
flat angles P-C4'-P energy: -81.908
tors. eta vs tors. theta energy: -156.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1623.742571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.742571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.742571 (E_RNA)
where:
Base-Base interactions energy: -1088.056
where: short stacking energy: -496.662
Base-Backbone interact. energy: -1.163
local terms energy: -534.523740
where:
bonds (distance) C4'-P energy: -108.329
bonds (distance) P-C4' energy: -130.243
flat angles C4'-P-C4' energy: -133.555
flat angles P-C4'-P energy: -64.337
tors. eta vs tors. theta energy: -98.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1266.930973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.930973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.930973 (E_RNA)
where:
Base-Base interactions energy: -791.939
where: short stacking energy: -369.059
Base-Backbone interact. energy: -0.311
local terms energy: -474.680882
where:
bonds (distance) C4'-P energy: -109.246
bonds (distance) P-C4' energy: -109.818
flat angles C4'-P-C4' energy: -134.887
flat angles P-C4'-P energy: -74.620
tors. eta vs tors. theta energy: -46.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1228.996953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.996953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.996953 (E_RNA)
where:
Base-Base interactions energy: -750.126
where: short stacking energy: -349.374
Base-Backbone interact. energy: -0.453
local terms energy: -478.417598
where:
bonds (distance) C4'-P energy: -112.656
bonds (distance) P-C4' energy: -125.189
flat angles C4'-P-C4' energy: -124.344
flat angles P-C4'-P energy: -66.351
tors. eta vs tors. theta energy: -49.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -782.982548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.982548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.982548 (E_RNA)
where:
Base-Base interactions energy: -380.772
where: short stacking energy: -235.573
Base-Backbone interact. energy: -0.350
local terms energy: -401.860977
where:
bonds (distance) C4'-P energy: -111.919
bonds (distance) P-C4' energy: -124.638
flat angles C4'-P-C4' energy: -117.054
flat angles P-C4'-P energy: -71.967
tors. eta vs tors. theta energy: 23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2559.417365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.417365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.417365 (E_RNA)
where:
Base-Base interactions energy: -1744.394
where: short stacking energy: -795.689
Base-Backbone interact. energy: -2.218
local terms energy: -812.805240
where:
bonds (distance) C4'-P energy: -140.561
bonds (distance) P-C4' energy: -152.410
flat angles C4'-P-C4' energy: -169.381
flat angles P-C4'-P energy: -114.496
tors. eta vs tors. theta energy: -235.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2438.084428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.084428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.084428 (E_RNA)
where:
Base-Base interactions energy: -1677.170
where: short stacking energy: -726.537
Base-Backbone interact. energy: -4.782
local terms energy: -756.131727
where:
bonds (distance) C4'-P energy: -144.654
bonds (distance) P-C4' energy: -150.396
flat angles C4'-P-C4' energy: -158.576
flat angles P-C4'-P energy: -110.900
tors. eta vs tors. theta energy: -191.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2352.748995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.748995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.748995 (E_RNA)
where:
Base-Base interactions energy: -1624.822
where: short stacking energy: -669.393
Base-Backbone interact. energy: -1.461
local terms energy: -726.465990
where:
bonds (distance) C4'-P energy: -155.099
bonds (distance) P-C4' energy: -131.629
flat angles C4'-P-C4' energy: -146.571
flat angles P-C4'-P energy: -103.995
tors. eta vs tors. theta energy: -189.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2292.656848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.656848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.656848 (E_RNA)
where:
Base-Base interactions energy: -1543.687
where: short stacking energy: -678.993
Base-Backbone interact. energy: -1.684
local terms energy: -747.286371
where:
bonds (distance) C4'-P energy: -145.593
bonds (distance) P-C4' energy: -136.060
flat angles C4'-P-C4' energy: -160.530
flat angles P-C4'-P energy: -106.312
tors. eta vs tors. theta energy: -198.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2163.774155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.774155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.774155 (E_RNA)
where:
Base-Base interactions energy: -1422.636
where: short stacking energy: -641.803
Base-Backbone interact. energy: 1.926
local terms energy: -743.064203
where:
bonds (distance) C4'-P energy: -135.007
bonds (distance) P-C4' energy: -158.255
flat angles C4'-P-C4' energy: -163.091
flat angles P-C4'-P energy: -88.722
tors. eta vs tors. theta energy: -197.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1826.520102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.520102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.520102 (E_RNA)
where:
Base-Base interactions energy: -1221.942
where: short stacking energy: -547.828
Base-Backbone interact. energy: -3.021
local terms energy: -601.556858
where:
bonds (distance) C4'-P energy: -127.676
bonds (distance) P-C4' energy: -126.480
flat angles C4'-P-C4' energy: -122.780
flat angles P-C4'-P energy: -80.184
tors. eta vs tors. theta energy: -144.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1629.750188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.750188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.750188 (E_RNA)
where:
Base-Base interactions energy: -1063.123
where: short stacking energy: -479.801
Base-Backbone interact. energy: -2.949
local terms energy: -563.678364
where:
bonds (distance) C4'-P energy: -111.519
bonds (distance) P-C4' energy: -135.007
flat angles C4'-P-C4' energy: -129.104
flat angles P-C4'-P energy: -63.986
tors. eta vs tors. theta energy: -124.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1277.980796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.980796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.980796 (E_RNA)
where:
Base-Base interactions energy: -777.257
where: short stacking energy: -367.642
Base-Backbone interact. energy: -0.449
local terms energy: -500.274507
where:
bonds (distance) C4'-P energy: -123.496
bonds (distance) P-C4' energy: -119.915
flat angles C4'-P-C4' energy: -115.549
flat angles P-C4'-P energy: -71.267
tors. eta vs tors. theta energy: -70.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1182.810475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.810475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.810475 (E_RNA)
where:
Base-Base interactions energy: -720.559
where: short stacking energy: -354.386
Base-Backbone interact. energy: 4.355
local terms energy: -466.605779
where:
bonds (distance) C4'-P energy: -106.300
bonds (distance) P-C4' energy: -122.352
flat angles C4'-P-C4' energy: -118.668
flat angles P-C4'-P energy: -47.396
tors. eta vs tors. theta energy: -71.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -748.008206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.008206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.008206 (E_RNA)
where:
Base-Base interactions energy: -350.442
where: short stacking energy: -185.199
Base-Backbone interact. energy: 0.278
local terms energy: -397.843762
where:
bonds (distance) C4'-P energy: -131.189
bonds (distance) P-C4' energy: -124.602
flat angles C4'-P-C4' energy: -109.919
flat angles P-C4'-P energy: -50.857
tors. eta vs tors. theta energy: 18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2569.118883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.118883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.118883 (E_RNA)
where:
Base-Base interactions energy: -1742.563
where: short stacking energy: -779.960
Base-Backbone interact. energy: -3.201
local terms energy: -823.355242
where:
bonds (distance) C4'-P energy: -136.234
bonds (distance) P-C4' energy: -157.955
flat angles C4'-P-C4' energy: -176.436
flat angles P-C4'-P energy: -120.162
tors. eta vs tors. theta energy: -232.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2448.662879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.662879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.662879 (E_RNA)
where:
Base-Base interactions energy: -1705.243
where: short stacking energy: -735.747
Base-Backbone interact. energy: -3.399
local terms energy: -740.021284
where:
bonds (distance) C4'-P energy: -122.524
bonds (distance) P-C4' energy: -139.530
flat angles C4'-P-C4' energy: -169.926
flat angles P-C4'-P energy: -111.810
tors. eta vs tors. theta energy: -196.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2358.687742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.687742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.687742 (E_RNA)
where:
Base-Base interactions energy: -1615.939
where: short stacking energy: -680.208
Base-Backbone interact. energy: -4.167
local terms energy: -738.582080
where:
bonds (distance) C4'-P energy: -142.639
bonds (distance) P-C4' energy: -153.090
flat angles C4'-P-C4' energy: -143.333
flat angles P-C4'-P energy: -102.694
tors. eta vs tors. theta energy: -196.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2277.311753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.311753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.311753 (E_RNA)
where:
Base-Base interactions energy: -1539.039
where: short stacking energy: -641.163
Base-Backbone interact. energy: -5.547
local terms energy: -732.725590
where:
bonds (distance) C4'-P energy: -143.445
bonds (distance) P-C4' energy: -142.800
flat angles C4'-P-C4' energy: -145.120
flat angles P-C4'-P energy: -104.712
tors. eta vs tors. theta energy: -196.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2151.459738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.459738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.459738 (E_RNA)
where:
Base-Base interactions energy: -1454.934
where: short stacking energy: -636.071
Base-Backbone interact. energy: -0.714
local terms energy: -695.811293
where:
bonds (distance) C4'-P energy: -120.623
bonds (distance) P-C4' energy: -139.415
flat angles C4'-P-C4' energy: -149.170
flat angles P-C4'-P energy: -91.601
tors. eta vs tors. theta energy: -195.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1869.892107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.892107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.892107 (E_RNA)
where:
Base-Base interactions energy: -1259.032
where: short stacking energy: -555.354
Base-Backbone interact. energy: -2.138
local terms energy: -608.722344
where:
bonds (distance) C4'-P energy: -104.832
bonds (distance) P-C4' energy: -125.159
flat angles C4'-P-C4' energy: -147.783
flat angles P-C4'-P energy: -93.763
tors. eta vs tors. theta energy: -137.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1661.557242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.557242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.557242 (E_RNA)
where:
Base-Base interactions energy: -1067.827
where: short stacking energy: -479.362
Base-Backbone interact. energy: 0.173
local terms energy: -593.903254
where:
bonds (distance) C4'-P energy: -119.027
bonds (distance) P-C4' energy: -132.000
flat angles C4'-P-C4' energy: -149.192
flat angles P-C4'-P energy: -93.288
tors. eta vs tors. theta energy: -100.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1226.525315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.525315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.525315 (E_RNA)
where:
Base-Base interactions energy: -779.494
where: short stacking energy: -355.828
Base-Backbone interact. energy: -2.161
local terms energy: -444.870887
where:
bonds (distance) C4'-P energy: -99.952
bonds (distance) P-C4' energy: -124.959
flat angles C4'-P-C4' energy: -112.595
flat angles P-C4'-P energy: -57.789
tors. eta vs tors. theta energy: -49.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1175.886569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.886569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.886569 (E_RNA)
where:
Base-Base interactions energy: -698.351
where: short stacking energy: -339.374
Base-Backbone interact. energy: -3.036
local terms energy: -474.499102
where:
bonds (distance) C4'-P energy: -119.150
bonds (distance) P-C4' energy: -118.718
flat angles C4'-P-C4' energy: -114.718
flat angles P-C4'-P energy: -71.246
tors. eta vs tors. theta energy: -50.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -786.595597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.595597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.595597 (E_RNA)
where:
Base-Base interactions energy: -396.769
where: short stacking energy: -243.107
Base-Backbone interact. energy: 10.060
local terms energy: -399.886460
where:
bonds (distance) C4'-P energy: -90.171
bonds (distance) P-C4' energy: -107.210
flat angles C4'-P-C4' energy: -117.762
flat angles P-C4'-P energy: -68.235
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2535.456841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.456841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.456841 (E_RNA)
where:
Base-Base interactions energy: -1724.610
where: short stacking energy: -752.315
Base-Backbone interact. energy: -4.449
local terms energy: -806.397763
where:
bonds (distance) C4'-P energy: -148.258
bonds (distance) P-C4' energy: -157.426
flat angles C4'-P-C4' energy: -160.388
flat angles P-C4'-P energy: -111.570
tors. eta vs tors. theta energy: -228.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2402.147020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.147020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.147020 (E_RNA)
where:
Base-Base interactions energy: -1656.622
where: short stacking energy: -679.128
Base-Backbone interact. energy: 0.227
local terms energy: -745.752359
where:
bonds (distance) C4'-P energy: -139.623
bonds (distance) P-C4' energy: -158.239
flat angles C4'-P-C4' energy: -162.292
flat angles P-C4'-P energy: -97.715
tors. eta vs tors. theta energy: -187.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2346.994419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.994419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.994419 (E_RNA)
where:
Base-Base interactions energy: -1607.754
where: short stacking energy: -664.513
Base-Backbone interact. energy: -5.465
local terms energy: -733.774929
where:
bonds (distance) C4'-P energy: -125.042
bonds (distance) P-C4' energy: -151.809
flat angles C4'-P-C4' energy: -160.613
flat angles P-C4'-P energy: -108.369
tors. eta vs tors. theta energy: -187.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2276.645396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.645396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.645396 (E_RNA)
where:
Base-Base interactions energy: -1524.924
where: short stacking energy: -662.916
Base-Backbone interact. energy: -5.423
local terms energy: -746.298703
where:
bonds (distance) C4'-P energy: -154.247
bonds (distance) P-C4' energy: -134.054
flat angles C4'-P-C4' energy: -158.603
flat angles P-C4'-P energy: -102.507
tors. eta vs tors. theta energy: -196.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2162.685550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.685550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.685550 (E_RNA)
where:
Base-Base interactions energy: -1462.854
where: short stacking energy: -640.795
Base-Backbone interact. energy: -1.200
local terms energy: -698.632342
where:
bonds (distance) C4'-P energy: -121.099
bonds (distance) P-C4' energy: -152.600
flat angles C4'-P-C4' energy: -140.106
flat angles P-C4'-P energy: -96.978
tors. eta vs tors. theta energy: -187.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1874.177021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.177021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.177021 (E_RNA)
where:
Base-Base interactions energy: -1266.818
where: short stacking energy: -543.880
Base-Backbone interact. energy: 2.495
local terms energy: -609.854023
where:
bonds (distance) C4'-P energy: -128.427
bonds (distance) P-C4' energy: -127.712
flat angles C4'-P-C4' energy: -124.011
flat angles P-C4'-P energy: -94.230
tors. eta vs tors. theta energy: -135.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1643.124128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.124128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.124128 (E_RNA)
where:
Base-Base interactions energy: -1062.754
where: short stacking energy: -510.881
Base-Backbone interact. energy: -0.956
local terms energy: -579.414007
where:
bonds (distance) C4'-P energy: -131.600
bonds (distance) P-C4' energy: -135.111
flat angles C4'-P-C4' energy: -119.264
flat angles P-C4'-P energy: -78.937
tors. eta vs tors. theta energy: -114.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1310.349968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.349968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.349968 (E_RNA)
where:
Base-Base interactions energy: -819.537
where: short stacking energy: -368.299
Base-Backbone interact. energy: 4.331
local terms energy: -495.144457
where:
bonds (distance) C4'-P energy: -106.634
bonds (distance) P-C4' energy: -128.609
flat angles C4'-P-C4' energy: -118.764
flat angles P-C4'-P energy: -82.113
tors. eta vs tors. theta energy: -59.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1164.264963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.264963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.264963 (E_RNA)
where:
Base-Base interactions energy: -696.952
where: short stacking energy: -353.030
Base-Backbone interact. energy: -5.372
local terms energy: -461.940978
where:
bonds (distance) C4'-P energy: -132.222
bonds (distance) P-C4' energy: -111.014
flat angles C4'-P-C4' energy: -127.938
flat angles P-C4'-P energy: -61.302
tors. eta vs tors. theta energy: -29.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -756.520594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.520594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.520594 (E_RNA)
where:
Base-Base interactions energy: -388.769
where: short stacking energy: -233.786
Base-Backbone interact. energy: -0.101
local terms energy: -367.650333
where:
bonds (distance) C4'-P energy: -115.812
bonds (distance) P-C4' energy: -105.035
flat angles C4'-P-C4' energy: -120.152
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: 18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2550.434405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.434405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.434405 (E_RNA)
where:
Base-Base interactions energy: -1747.361
where: short stacking energy: -773.583
Base-Backbone interact. energy: -5.866
local terms energy: -797.207809
where:
bonds (distance) C4'-P energy: -150.096
bonds (distance) P-C4' energy: -139.490
flat angles C4'-P-C4' energy: -166.731
flat angles P-C4'-P energy: -111.313
tors. eta vs tors. theta energy: -229.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2423.070540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.070540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.070540 (E_RNA)
where:
Base-Base interactions energy: -1650.588
where: short stacking energy: -682.566
Base-Backbone interact. energy: -1.351
local terms energy: -771.131756
where:
bonds (distance) C4'-P energy: -137.084
bonds (distance) P-C4' energy: -156.882
flat angles C4'-P-C4' energy: -166.710
flat angles P-C4'-P energy: -110.683
tors. eta vs tors. theta energy: -199.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2341.667876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.667876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.667876 (E_RNA)
where:
Base-Base interactions energy: -1601.732
where: short stacking energy: -673.582
Base-Backbone interact. energy: 2.971
local terms energy: -742.906491
where:
bonds (distance) C4'-P energy: -138.388
bonds (distance) P-C4' energy: -142.410
flat angles C4'-P-C4' energy: -159.082
flat angles P-C4'-P energy: -95.958
tors. eta vs tors. theta energy: -207.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2248.702540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.702540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.702540 (E_RNA)
where:
Base-Base interactions energy: -1535.234
where: short stacking energy: -667.461
Base-Backbone interact. energy: -3.027
local terms energy: -710.441669
where:
bonds (distance) C4'-P energy: -129.080
bonds (distance) P-C4' energy: -137.855
flat angles C4'-P-C4' energy: -153.875
flat angles P-C4'-P energy: -85.049
tors. eta vs tors. theta energy: -204.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2155.679281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.679281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.679281 (E_RNA)
where:
Base-Base interactions energy: -1461.641
where: short stacking energy: -650.469
Base-Backbone interact. energy: -2.605
local terms energy: -691.433374
where:
bonds (distance) C4'-P energy: -115.150
bonds (distance) P-C4' energy: -130.251
flat angles C4'-P-C4' energy: -155.653
flat angles P-C4'-P energy: -91.917
tors. eta vs tors. theta energy: -198.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1928.881093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.881093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.881093 (E_RNA)
where:
Base-Base interactions energy: -1284.746
where: short stacking energy: -557.979
Base-Backbone interact. energy: -2.747
local terms energy: -641.388607
where:
bonds (distance) C4'-P energy: -132.766
bonds (distance) P-C4' energy: -122.357
flat angles C4'-P-C4' energy: -152.463
flat angles P-C4'-P energy: -87.318
tors. eta vs tors. theta energy: -146.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1672.490122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.490122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.490122 (E_RNA)
where:
Base-Base interactions energy: -1076.233
where: short stacking energy: -456.493
Base-Backbone interact. energy: -1.747
local terms energy: -594.510478
where:
bonds (distance) C4'-P energy: -122.778
bonds (distance) P-C4' energy: -132.884
flat angles C4'-P-C4' energy: -142.678
flat angles P-C4'-P energy: -79.965
tors. eta vs tors. theta energy: -116.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1427.802332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.802332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.802332 (E_RNA)
where:
Base-Base interactions energy: -912.491
where: short stacking energy: -414.629
Base-Backbone interact. energy: 1.461
local terms energy: -516.771990
where:
bonds (distance) C4'-P energy: -97.894
bonds (distance) P-C4' energy: -129.473
flat angles C4'-P-C4' energy: -125.301
flat angles P-C4'-P energy: -74.156
tors. eta vs tors. theta energy: -89.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1188.094340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.094340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.094340 (E_RNA)
where:
Base-Base interactions energy: -700.163
where: short stacking energy: -343.334
Base-Backbone interact. energy: 2.834
local terms energy: -490.765088
where:
bonds (distance) C4'-P energy: -128.745
bonds (distance) P-C4' energy: -111.411
flat angles C4'-P-C4' energy: -120.157
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -58.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -746.780534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.780534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.780534 (E_RNA)
where:
Base-Base interactions energy: -334.090
where: short stacking energy: -215.016
Base-Backbone interact. energy: 7.252
local terms energy: -419.942926
where:
bonds (distance) C4'-P energy: -119.729
bonds (distance) P-C4' energy: -121.414
flat angles C4'-P-C4' energy: -97.134
flat angles P-C4'-P energy: -73.533
tors. eta vs tors. theta energy: -8.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2528.165022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.165022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.165022 (E_RNA)
where:
Base-Base interactions energy: -1705.767
where: short stacking energy: -737.644
Base-Backbone interact. energy: -2.825
local terms energy: -819.573154
where:
bonds (distance) C4'-P energy: -152.771
bonds (distance) P-C4' energy: -156.336
flat angles C4'-P-C4' energy: -174.373
flat angles P-C4'-P energy: -119.888
tors. eta vs tors. theta energy: -216.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2447.347209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.347209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.347209 (E_RNA)
where:
Base-Base interactions energy: -1679.914
where: short stacking energy: -738.311
Base-Backbone interact. energy: -0.036
local terms energy: -767.397753
where:
bonds (distance) C4'-P energy: -145.857
bonds (distance) P-C4' energy: -147.024
flat angles C4'-P-C4' energy: -158.093
flat angles P-C4'-P energy: -111.631
tors. eta vs tors. theta energy: -204.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2345.587663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.587663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.587663 (E_RNA)
where:
Base-Base interactions energy: -1615.706
where: short stacking energy: -659.128
Base-Backbone interact. energy: 4.269
local terms energy: -734.150338
where:
bonds (distance) C4'-P energy: -130.578
bonds (distance) P-C4' energy: -142.978
flat angles C4'-P-C4' energy: -160.902
flat angles P-C4'-P energy: -108.677
tors. eta vs tors. theta energy: -191.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2274.049810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.049810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.049810 (E_RNA)
where:
Base-Base interactions energy: -1551.159
where: short stacking energy: -678.587
Base-Backbone interact. energy: -4.471
local terms energy: -718.419783
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -140.964
flat angles C4'-P-C4' energy: -157.923
flat angles P-C4'-P energy: -115.589
tors. eta vs tors. theta energy: -185.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2159.815554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.815554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.815554 (E_RNA)
where:
Base-Base interactions energy: -1472.295
where: short stacking energy: -652.242
Base-Backbone interact. energy: 1.194
local terms energy: -688.714719
where:
bonds (distance) C4'-P energy: -117.061
bonds (distance) P-C4' energy: -146.863
flat angles C4'-P-C4' energy: -143.529
flat angles P-C4'-P energy: -86.284
tors. eta vs tors. theta energy: -194.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1896.249696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.249696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.249696 (E_RNA)
where:
Base-Base interactions energy: -1267.544
where: short stacking energy: -593.490
Base-Backbone interact. energy: 3.644
local terms energy: -632.349850
where:
bonds (distance) C4'-P energy: -134.277
bonds (distance) P-C4' energy: -126.399
flat angles C4'-P-C4' energy: -140.056
flat angles P-C4'-P energy: -70.866
tors. eta vs tors. theta energy: -160.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1691.605996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.605996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.605996 (E_RNA)
where:
Base-Base interactions energy: -1100.609
where: short stacking energy: -505.976
Base-Backbone interact. energy: -2.009
local terms energy: -588.987717
where:
bonds (distance) C4'-P energy: -112.902
bonds (distance) P-C4' energy: -135.164
flat angles C4'-P-C4' energy: -141.213
flat angles P-C4'-P energy: -80.928
tors. eta vs tors. theta energy: -118.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1329.168569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.168569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.168569 (E_RNA)
where:
Base-Base interactions energy: -815.794
where: short stacking energy: -399.546
Base-Backbone interact. energy: 0.932
local terms energy: -514.306407
where:
bonds (distance) C4'-P energy: -117.022
bonds (distance) P-C4' energy: -115.726
flat angles C4'-P-C4' energy: -116.836
flat angles P-C4'-P energy: -71.986
tors. eta vs tors. theta energy: -92.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1242.698322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.698322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.698322 (E_RNA)
where:
Base-Base interactions energy: -804.006
where: short stacking energy: -386.101
Base-Backbone interact. energy: 0.948
local terms energy: -439.640249
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -112.633
flat angles C4'-P-C4' energy: -105.920
flat angles P-C4'-P energy: -66.021
tors. eta vs tors. theta energy: -66.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -700.058774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.058774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.058774 (E_RNA)
where:
Base-Base interactions energy: -319.554
where: short stacking energy: -170.144
Base-Backbone interact. energy: -0.150
local terms energy: -380.354220
where:
bonds (distance) C4'-P energy: -126.766
bonds (distance) P-C4' energy: -133.002
flat angles C4'-P-C4' energy: -82.837
flat angles P-C4'-P energy: -68.656
tors. eta vs tors. theta energy: 30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2571.237907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.237907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.237907 (E_RNA)
where:
Base-Base interactions energy: -1763.655
where: short stacking energy: -763.827
Base-Backbone interact. energy: -0.672
local terms energy: -806.911157
where:
bonds (distance) C4'-P energy: -142.746
bonds (distance) P-C4' energy: -151.471
flat angles C4'-P-C4' energy: -168.481
flat angles P-C4'-P energy: -121.894
tors. eta vs tors. theta energy: -222.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2427.404402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.404402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.404402 (E_RNA)
where:
Base-Base interactions energy: -1700.752
where: short stacking energy: -697.471
Base-Backbone interact. energy: 0.376
local terms energy: -727.028110
where:
bonds (distance) C4'-P energy: -134.276
bonds (distance) P-C4' energy: -129.183
flat angles C4'-P-C4' energy: -156.243
flat angles P-C4'-P energy: -103.817
tors. eta vs tors. theta energy: -203.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2296.476554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.476554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.476554 (E_RNA)
where:
Base-Base interactions energy: -1599.189
where: short stacking energy: -674.392
Base-Backbone interact. energy: -3.870
local terms energy: -693.417951
where:
bonds (distance) C4'-P energy: -111.871
bonds (distance) P-C4' energy: -132.469
flat angles C4'-P-C4' energy: -159.700
flat angles P-C4'-P energy: -105.118
tors. eta vs tors. theta energy: -184.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2338.355750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.355750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.355750 (E_RNA)
where:
Base-Base interactions energy: -1603.022
where: short stacking energy: -717.893
Base-Backbone interact. energy: -6.702
local terms energy: -728.631719
where:
bonds (distance) C4'-P energy: -142.232
bonds (distance) P-C4' energy: -133.967
flat angles C4'-P-C4' energy: -144.966
flat angles P-C4'-P energy: -99.644
tors. eta vs tors. theta energy: -207.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2141.585047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.585047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.585047 (E_RNA)
where:
Base-Base interactions energy: -1453.718
where: short stacking energy: -638.908
Base-Backbone interact. energy: -4.430
local terms energy: -683.437181
where:
bonds (distance) C4'-P energy: -124.443
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -155.474
flat angles P-C4'-P energy: -100.298
tors. eta vs tors. theta energy: -186.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1928.919951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.919951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.919951 (E_RNA)
where:
Base-Base interactions energy: -1302.960
where: short stacking energy: -581.966
Base-Backbone interact. energy: -1.816
local terms energy: -624.143823
where:
bonds (distance) C4'-P energy: -126.580
bonds (distance) P-C4' energy: -115.292
flat angles C4'-P-C4' energy: -147.988
flat angles P-C4'-P energy: -90.438
tors. eta vs tors. theta energy: -143.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1650.365448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.365448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.365448 (E_RNA)
where:
Base-Base interactions energy: -1081.389
where: short stacking energy: -478.003
Base-Backbone interact. energy: -1.798
local terms energy: -567.178551
where:
bonds (distance) C4'-P energy: -106.132
bonds (distance) P-C4' energy: -147.661
flat angles C4'-P-C4' energy: -118.313
flat angles P-C4'-P energy: -79.818
tors. eta vs tors. theta energy: -115.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1305.531324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.531324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.531324 (E_RNA)
where:
Base-Base interactions energy: -807.547
where: short stacking energy: -380.651
Base-Backbone interact. energy: 1.691
local terms energy: -499.674607
where:
bonds (distance) C4'-P energy: -120.065
bonds (distance) P-C4' energy: -105.978
flat angles C4'-P-C4' energy: -124.984
flat angles P-C4'-P energy: -72.075
tors. eta vs tors. theta energy: -76.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1263.850448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.850448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.850448 (E_RNA)
where:
Base-Base interactions energy: -792.656
where: short stacking energy: -359.272
Base-Backbone interact. energy: -1.786
local terms energy: -469.407982
where:
bonds (distance) C4'-P energy: -115.834
bonds (distance) P-C4' energy: -111.853
flat angles C4'-P-C4' energy: -106.227
flat angles P-C4'-P energy: -76.822
tors. eta vs tors. theta energy: -58.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -696.182221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.182221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.182221 (E_RNA)
where:
Base-Base interactions energy: -301.181
where: short stacking energy: -191.706
Base-Backbone interact. energy: -1.856
local terms energy: -393.144874
where:
bonds (distance) C4'-P energy: -105.423
bonds (distance) P-C4' energy: -115.681
flat angles C4'-P-C4' energy: -109.037
flat angles P-C4'-P energy: -76.890
tors. eta vs tors. theta energy: 13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2542.354032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.354032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.354032 (E_RNA)
where:
Base-Base interactions energy: -1742.180
where: short stacking energy: -737.668
Base-Backbone interact. energy: -3.163
local terms energy: -797.010959
where:
bonds (distance) C4'-P energy: -136.271
bonds (distance) P-C4' energy: -144.834
flat angles C4'-P-C4' energy: -172.572
flat angles P-C4'-P energy: -115.854
tors. eta vs tors. theta energy: -227.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2451.803055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.803055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.803055 (E_RNA)
where:
Base-Base interactions energy: -1675.344
where: short stacking energy: -706.651
Base-Backbone interact. energy: -6.534
local terms energy: -769.924776
where:
bonds (distance) C4'-P energy: -156.727
bonds (distance) P-C4' energy: -147.726
flat angles C4'-P-C4' energy: -162.003
flat angles P-C4'-P energy: -102.421
tors. eta vs tors. theta energy: -201.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2329.147017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.147017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.147017 (E_RNA)
where:
Base-Base interactions energy: -1580.378
where: short stacking energy: -655.081
Base-Backbone interact. energy: 1.567
local terms energy: -750.336393
where:
bonds (distance) C4'-P energy: -152.120
bonds (distance) P-C4' energy: -145.842
flat angles C4'-P-C4' energy: -164.268
flat angles P-C4'-P energy: -102.526
tors. eta vs tors. theta energy: -185.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2311.110444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.110444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.110444 (E_RNA)
where:
Base-Base interactions energy: -1578.680
where: short stacking energy: -688.767
Base-Backbone interact. energy: -1.895
local terms energy: -730.535251
where:
bonds (distance) C4'-P energy: -135.976
bonds (distance) P-C4' energy: -133.451
flat angles C4'-P-C4' energy: -152.967
flat angles P-C4'-P energy: -98.583
tors. eta vs tors. theta energy: -209.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2165.059589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.059589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.059589 (E_RNA)
where:
Base-Base interactions energy: -1437.962
where: short stacking energy: -651.731
Base-Backbone interact. energy: 2.965
local terms energy: -730.062557
where:
bonds (distance) C4'-P energy: -147.471
bonds (distance) P-C4' energy: -135.565
flat angles C4'-P-C4' energy: -152.843
flat angles P-C4'-P energy: -96.028
tors. eta vs tors. theta energy: -198.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1918.805861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.805861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.805861 (E_RNA)
where:
Base-Base interactions energy: -1266.961
where: short stacking energy: -565.253
Base-Backbone interact. energy: -1.726
local terms energy: -650.118396
where:
bonds (distance) C4'-P energy: -127.418
bonds (distance) P-C4' energy: -129.941
flat angles C4'-P-C4' energy: -160.263
flat angles P-C4'-P energy: -73.691
tors. eta vs tors. theta energy: -158.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1581.431068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.431068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.431068 (E_RNA)
where:
Base-Base interactions energy: -1022.804
where: short stacking energy: -493.825
Base-Backbone interact. energy: 0.609
local terms energy: -559.235468
where:
bonds (distance) C4'-P energy: -119.414
bonds (distance) P-C4' energy: -147.414
flat angles C4'-P-C4' energy: -122.657
flat angles P-C4'-P energy: -63.852
tors. eta vs tors. theta energy: -105.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1303.905620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.905620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.905620 (E_RNA)
where:
Base-Base interactions energy: -758.128
where: short stacking energy: -333.822
Base-Backbone interact. energy: -5.024
local terms energy: -540.753172
where:
bonds (distance) C4'-P energy: -131.410
bonds (distance) P-C4' energy: -128.233
flat angles C4'-P-C4' energy: -133.229
flat angles P-C4'-P energy: -87.338
tors. eta vs tors. theta energy: -60.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1156.643685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.643685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.643685 (E_RNA)
where:
Base-Base interactions energy: -682.561
where: short stacking energy: -307.745
Base-Backbone interact. energy: -1.059
local terms energy: -473.023422
where:
bonds (distance) C4'-P energy: -99.549
bonds (distance) P-C4' energy: -127.230
flat angles C4'-P-C4' energy: -139.501
flat angles P-C4'-P energy: -50.708
tors. eta vs tors. theta energy: -56.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -680.849240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.849240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.849240 (E_RNA)
where:
Base-Base interactions energy: -289.451
where: short stacking energy: -204.348
Base-Backbone interact. energy: 5.075
local terms energy: -396.473267
where:
bonds (distance) C4'-P energy: -110.506
bonds (distance) P-C4' energy: -128.069
flat angles C4'-P-C4' energy: -110.178
flat angles P-C4'-P energy: -59.765
tors. eta vs tors. theta energy: 12.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2531.711145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.711145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.711145 (E_RNA)
where:
Base-Base interactions energy: -1706.588
where: short stacking energy: -763.058
Base-Backbone interact. energy: -2.755
local terms energy: -822.368405
where:
bonds (distance) C4'-P energy: -145.702
bonds (distance) P-C4' energy: -156.123
flat angles C4'-P-C4' energy: -173.024
flat angles P-C4'-P energy: -123.721
tors. eta vs tors. theta energy: -223.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2475.372103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.372103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.372103 (E_RNA)
where:
Base-Base interactions energy: -1705.835
where: short stacking energy: -715.828
Base-Backbone interact. energy: -6.507
local terms energy: -763.030706
where:
bonds (distance) C4'-P energy: -135.896
bonds (distance) P-C4' energy: -150.234
flat angles C4'-P-C4' energy: -157.455
flat angles P-C4'-P energy: -105.391
tors. eta vs tors. theta energy: -214.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2372.259761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.259761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.259761 (E_RNA)
where:
Base-Base interactions energy: -1636.825
where: short stacking energy: -727.372
Base-Backbone interact. energy: -2.402
local terms energy: -733.032739
where:
bonds (distance) C4'-P energy: -127.738
bonds (distance) P-C4' energy: -132.119
flat angles C4'-P-C4' energy: -160.796
flat angles P-C4'-P energy: -99.339
tors. eta vs tors. theta energy: -213.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2274.477706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.477706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.477706 (E_RNA)
where:
Base-Base interactions energy: -1584.619
where: short stacking energy: -647.720
Base-Backbone interact. energy: -2.111
local terms energy: -687.747117
where:
bonds (distance) C4'-P energy: -135.845
bonds (distance) P-C4' energy: -121.415
flat angles C4'-P-C4' energy: -152.021
flat angles P-C4'-P energy: -101.868
tors. eta vs tors. theta energy: -176.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2195.095477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.095477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.095477 (E_RNA)
where:
Base-Base interactions energy: -1465.591
where: short stacking energy: -667.373
Base-Backbone interact. energy: -2.288
local terms energy: -727.216305
where:
bonds (distance) C4'-P energy: -148.207
bonds (distance) P-C4' energy: -134.337
flat angles C4'-P-C4' energy: -155.454
flat angles P-C4'-P energy: -94.002
tors. eta vs tors. theta energy: -195.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1860.707056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.707056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.707056 (E_RNA)
where:
Base-Base interactions energy: -1191.510
where: short stacking energy: -501.676
Base-Backbone interact. energy: -2.645
local terms energy: -666.552130
where:
bonds (distance) C4'-P energy: -136.782
bonds (distance) P-C4' energy: -151.491
flat angles C4'-P-C4' energy: -155.371
flat angles P-C4'-P energy: -91.008
tors. eta vs tors. theta energy: -131.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1592.269390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.269390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.269390 (E_RNA)
where:
Base-Base interactions energy: -1025.057
where: short stacking energy: -453.983
Base-Backbone interact. energy: -1.182
local terms energy: -566.030433
where:
bonds (distance) C4'-P energy: -139.783
bonds (distance) P-C4' energy: -130.064
flat angles C4'-P-C4' energy: -124.148
flat angles P-C4'-P energy: -78.596
tors. eta vs tors. theta energy: -93.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1297.932998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.932998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.932998 (E_RNA)
where:
Base-Base interactions energy: -796.150
where: short stacking energy: -383.031
Base-Backbone interact. energy: 2.170
local terms energy: -503.952866
where:
bonds (distance) C4'-P energy: -114.916
bonds (distance) P-C4' energy: -132.781
flat angles C4'-P-C4' energy: -120.863
flat angles P-C4'-P energy: -72.054
tors. eta vs tors. theta energy: -63.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1088.670213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.670213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.670213 (E_RNA)
where:
Base-Base interactions energy: -656.568
where: short stacking energy: -310.627
Base-Backbone interact. energy: 6.429
local terms energy: -438.531002
where:
bonds (distance) C4'-P energy: -109.143
bonds (distance) P-C4' energy: -121.379
flat angles C4'-P-C4' energy: -88.795
flat angles P-C4'-P energy: -74.134
tors. eta vs tors. theta energy: -45.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -658.928594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.928594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.928594 (E_RNA)
where:
Base-Base interactions energy: -274.439
where: short stacking energy: -168.165
Base-Backbone interact. energy: 4.040
local terms energy: -388.529179
where:
bonds (distance) C4'-P energy: -119.147
bonds (distance) P-C4' energy: -131.943
flat angles C4'-P-C4' energy: -104.842
flat angles P-C4'-P energy: -42.051
tors. eta vs tors. theta energy: 9.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2557.850816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.850816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.850816 (E_RNA)
where:
Base-Base interactions energy: -1744.916
where: short stacking energy: -761.329
Base-Backbone interact. energy: -4.436
local terms energy: -808.497936
where:
bonds (distance) C4'-P energy: -130.199
bonds (distance) P-C4' energy: -161.587
flat angles C4'-P-C4' energy: -178.689
flat angles P-C4'-P energy: -112.194
tors. eta vs tors. theta energy: -225.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2474.803160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.803160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.803160 (E_RNA)
where:
Base-Base interactions energy: -1702.765
where: short stacking energy: -731.680
Base-Backbone interact. energy: -0.678
local terms energy: -771.359945
where:
bonds (distance) C4'-P energy: -132.681
bonds (distance) P-C4' energy: -151.563
flat angles C4'-P-C4' energy: -170.862
flat angles P-C4'-P energy: -108.424
tors. eta vs tors. theta energy: -207.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2412.931775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.931775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.931775 (E_RNA)
where:
Base-Base interactions energy: -1659.313
where: short stacking energy: -708.674
Base-Backbone interact. energy: -0.925
local terms energy: -752.693751
where:
bonds (distance) C4'-P energy: -134.122
bonds (distance) P-C4' energy: -135.240
flat angles C4'-P-C4' energy: -161.974
flat angles P-C4'-P energy: -104.789
tors. eta vs tors. theta energy: -216.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2282.543067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.543067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.543067 (E_RNA)
where:
Base-Base interactions energy: -1595.265
where: short stacking energy: -674.739
Base-Backbone interact. energy: 0.043
local terms energy: -687.321313
where:
bonds (distance) C4'-P energy: -131.433
bonds (distance) P-C4' energy: -144.757
flat angles C4'-P-C4' energy: -146.363
flat angles P-C4'-P energy: -92.559
tors. eta vs tors. theta energy: -172.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2150.587649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.587649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.587649 (E_RNA)
where:
Base-Base interactions energy: -1447.737
where: short stacking energy: -654.374
Base-Backbone interact. energy: -1.634
local terms energy: -701.216838
where:
bonds (distance) C4'-P energy: -125.748
bonds (distance) P-C4' energy: -127.993
flat angles C4'-P-C4' energy: -162.090
flat angles P-C4'-P energy: -96.393
tors. eta vs tors. theta energy: -188.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1904.958215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.958215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.958215 (E_RNA)
where:
Base-Base interactions energy: -1263.429
where: short stacking energy: -554.975
Base-Backbone interact. energy: -0.917
local terms energy: -640.612241
where:
bonds (distance) C4'-P energy: -120.326
bonds (distance) P-C4' energy: -136.317
flat angles C4'-P-C4' energy: -142.972
flat angles P-C4'-P energy: -95.578
tors. eta vs tors. theta energy: -145.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1620.112776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.112776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.112776 (E_RNA)
where:
Base-Base interactions energy: -1041.161
where: short stacking energy: -453.978
Base-Backbone interact. energy: -0.523
local terms energy: -578.428119
where:
bonds (distance) C4'-P energy: -117.180
bonds (distance) P-C4' energy: -130.746
flat angles C4'-P-C4' energy: -128.149
flat angles P-C4'-P energy: -84.398
tors. eta vs tors. theta energy: -117.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1328.395739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.395739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.395739 (E_RNA)
where:
Base-Base interactions energy: -825.224
where: short stacking energy: -379.528
Base-Backbone interact. energy: -2.451
local terms energy: -500.719960
where:
bonds (distance) C4'-P energy: -128.457
bonds (distance) P-C4' energy: -123.573
flat angles C4'-P-C4' energy: -131.504
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: -59.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1037.901568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.901568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.901568 (E_RNA)
where:
Base-Base interactions energy: -594.212
where: short stacking energy: -280.332
Base-Backbone interact. energy: -4.715
local terms energy: -438.974901
where:
bonds (distance) C4'-P energy: -113.857
bonds (distance) P-C4' energy: -127.868
flat angles C4'-P-C4' energy: -118.565
flat angles P-C4'-P energy: -54.749
tors. eta vs tors. theta energy: -23.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -710.289533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.289533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.289533 (E_RNA)
where:
Base-Base interactions energy: -333.903
where: short stacking energy: -213.917
Base-Backbone interact. energy: 6.486
local terms energy: -382.872368
where:
bonds (distance) C4'-P energy: -101.252
bonds (distance) P-C4' energy: -121.762
flat angles C4'-P-C4' energy: -114.326
flat angles P-C4'-P energy: -62.442
tors. eta vs tors. theta energy: 16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2554.563237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.563237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.563237 (E_RNA)
where:
Base-Base interactions energy: -1741.819
where: short stacking energy: -764.459
Base-Backbone interact. energy: -6.714
local terms energy: -806.030067
where:
bonds (distance) C4'-P energy: -145.671
bonds (distance) P-C4' energy: -143.823
flat angles C4'-P-C4' energy: -177.666
flat angles P-C4'-P energy: -106.597
tors. eta vs tors. theta energy: -232.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2492.192476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.192476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.192476 (E_RNA)
where:
Base-Base interactions energy: -1712.674
where: short stacking energy: -742.922
Base-Backbone interact. energy: -0.579
local terms energy: -778.939790
where:
bonds (distance) C4'-P energy: -147.495
bonds (distance) P-C4' energy: -134.476
flat angles C4'-P-C4' energy: -170.727
flat angles P-C4'-P energy: -112.680
tors. eta vs tors. theta energy: -213.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2385.207013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.207013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.207013 (E_RNA)
where:
Base-Base interactions energy: -1620.707
where: short stacking energy: -697.198
Base-Backbone interact. energy: -1.843
local terms energy: -762.656298
where:
bonds (distance) C4'-P energy: -144.738
bonds (distance) P-C4' energy: -143.590
flat angles C4'-P-C4' energy: -169.440
flat angles P-C4'-P energy: -99.749
tors. eta vs tors. theta energy: -205.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2240.610202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.610202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.610202 (E_RNA)
where:
Base-Base interactions energy: -1558.281
where: short stacking energy: -651.156
Base-Backbone interact. energy: -3.266
local terms energy: -679.063868
where:
bonds (distance) C4'-P energy: -126.593
bonds (distance) P-C4' energy: -135.375
flat angles C4'-P-C4' energy: -149.127
flat angles P-C4'-P energy: -95.337
tors. eta vs tors. theta energy: -172.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2173.481924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.481924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.481924 (E_RNA)
where:
Base-Base interactions energy: -1458.030
where: short stacking energy: -640.264
Base-Backbone interact. energy: -2.525
local terms energy: -712.926933
where:
bonds (distance) C4'-P energy: -145.713
bonds (distance) P-C4' energy: -138.910
flat angles C4'-P-C4' energy: -135.985
flat angles P-C4'-P energy: -93.593
tors. eta vs tors. theta energy: -198.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1904.017775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.017775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.017775 (E_RNA)
where:
Base-Base interactions energy: -1278.707
where: short stacking energy: -559.587
Base-Backbone interact. energy: -3.692
local terms energy: -621.619730
where:
bonds (distance) C4'-P energy: -119.942
bonds (distance) P-C4' energy: -115.358
flat angles C4'-P-C4' energy: -129.588
flat angles P-C4'-P energy: -94.695
tors. eta vs tors. theta energy: -162.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1567.352561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.352561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.352561 (E_RNA)
where:
Base-Base interactions energy: -1003.272
where: short stacking energy: -439.723
Base-Backbone interact. energy: 1.531
local terms energy: -565.611214
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -148.973
flat angles C4'-P-C4' energy: -125.623
flat angles P-C4'-P energy: -87.985
tors. eta vs tors. theta energy: -88.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1368.540517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.540517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.540517 (E_RNA)
where:
Base-Base interactions energy: -855.691
where: short stacking energy: -384.645
Base-Backbone interact. energy: 2.647
local terms energy: -515.496861
where:
bonds (distance) C4'-P energy: -118.859
bonds (distance) P-C4' energy: -132.919
flat angles C4'-P-C4' energy: -123.729
flat angles P-C4'-P energy: -64.945
tors. eta vs tors. theta energy: -75.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1010.496875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.496875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.496875 (E_RNA)
where:
Base-Base interactions energy: -547.444
where: short stacking energy: -291.720
Base-Backbone interact. energy: 1.025
local terms energy: -464.077613
where:
bonds (distance) C4'-P energy: -137.257
bonds (distance) P-C4' energy: -106.156
flat angles C4'-P-C4' energy: -98.563
flat angles P-C4'-P energy: -91.669
tors. eta vs tors. theta energy: -30.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -734.967638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.967638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.967638 (E_RNA)
where:
Base-Base interactions energy: -354.452
where: short stacking energy: -230.991
Base-Backbone interact. energy: 4.548
local terms energy: -385.063435
where:
bonds (distance) C4'-P energy: -106.109
bonds (distance) P-C4' energy: -114.986
flat angles C4'-P-C4' energy: -104.399
flat angles P-C4'-P energy: -61.462
tors. eta vs tors. theta energy: 1.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2573.264726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.264726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.264726 (E_RNA)
where:
Base-Base interactions energy: -1761.972
where: short stacking energy: -767.615
Base-Backbone interact. energy: -1.984
local terms energy: -809.309024
where:
bonds (distance) C4'-P energy: -149.291
bonds (distance) P-C4' energy: -154.343
flat angles C4'-P-C4' energy: -162.896
flat angles P-C4'-P energy: -111.151
tors. eta vs tors. theta energy: -231.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2499.770581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.770581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.770581 (E_RNA)
where:
Base-Base interactions energy: -1712.658
where: short stacking energy: -739.512
Base-Backbone interact. energy: -1.097
local terms energy: -786.015341
where:
bonds (distance) C4'-P energy: -144.661
bonds (distance) P-C4' energy: -155.932
flat angles C4'-P-C4' energy: -169.286
flat angles P-C4'-P energy: -102.399
tors. eta vs tors. theta energy: -213.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2400.065764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.065764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.065764 (E_RNA)
where:
Base-Base interactions energy: -1669.564
where: short stacking energy: -721.740
Base-Backbone interact. energy: -2.306
local terms energy: -728.196175
where:
bonds (distance) C4'-P energy: -123.317
bonds (distance) P-C4' energy: -148.450
flat angles C4'-P-C4' energy: -154.445
flat angles P-C4'-P energy: -92.163
tors. eta vs tors. theta energy: -209.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2300.151649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.151649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.151649 (E_RNA)
where:
Base-Base interactions energy: -1599.406
where: short stacking energy: -679.916
Base-Backbone interact. energy: 1.060
local terms energy: -701.805585
where:
bonds (distance) C4'-P energy: -121.894
bonds (distance) P-C4' energy: -133.395
flat angles C4'-P-C4' energy: -157.183
flat angles P-C4'-P energy: -107.236
tors. eta vs tors. theta energy: -182.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2134.825739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.825739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.825739 (E_RNA)
where:
Base-Base interactions energy: -1442.236
where: short stacking energy: -627.881
Base-Backbone interact. energy: -3.258
local terms energy: -689.330982
where:
bonds (distance) C4'-P energy: -118.614
bonds (distance) P-C4' energy: -136.731
flat angles C4'-P-C4' energy: -154.168
flat angles P-C4'-P energy: -95.755
tors. eta vs tors. theta energy: -184.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1928.731403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.731403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.731403 (E_RNA)
where:
Base-Base interactions energy: -1274.850
where: short stacking energy: -607.609
Base-Backbone interact. energy: -4.720
local terms energy: -649.161397
where:
bonds (distance) C4'-P energy: -119.593
bonds (distance) P-C4' energy: -136.347
flat angles C4'-P-C4' energy: -149.802
flat angles P-C4'-P energy: -83.356
tors. eta vs tors. theta energy: -160.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1390.022429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.022429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.022429 (E_RNA)
where:
Base-Base interactions energy: -850.821
where: short stacking energy: -421.190
Base-Backbone interact. energy: -2.662
local terms energy: -536.539922
where:
bonds (distance) C4'-P energy: -122.662
bonds (distance) P-C4' energy: -128.238
flat angles C4'-P-C4' energy: -131.598
flat angles P-C4'-P energy: -78.109
tors. eta vs tors. theta energy: -75.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1255.777766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.777766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.777766 (E_RNA)
where:
Base-Base interactions energy: -765.498
where: short stacking energy: -386.253
Base-Backbone interact. energy: -0.972
local terms energy: -489.308368
where:
bonds (distance) C4'-P energy: -113.258
bonds (distance) P-C4' energy: -113.551
flat angles C4'-P-C4' energy: -114.405
flat angles P-C4'-P energy: -83.875
tors. eta vs tors. theta energy: -64.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -990.751144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.751144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.751144 (E_RNA)
where:
Base-Base interactions energy: -576.373
where: short stacking energy: -273.685
Base-Backbone interact. energy: -4.035
local terms energy: -410.342435
where:
bonds (distance) C4'-P energy: -117.264
bonds (distance) P-C4' energy: -135.219
flat angles C4'-P-C4' energy: -96.611
flat angles P-C4'-P energy: -52.343
tors. eta vs tors. theta energy: -8.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -741.105735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.105735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.105735 (E_RNA)
where:
Base-Base interactions energy: -324.868
where: short stacking energy: -198.889
Base-Backbone interact. energy: -2.218
local terms energy: -414.019776
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -122.537
flat angles C4'-P-C4' energy: -108.813
flat angles P-C4'-P energy: -78.889
tors. eta vs tors. theta energy: 7.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2572.724985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.724985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.724985 (E_RNA)
where:
Base-Base interactions energy: -1774.064
where: short stacking energy: -775.064
Base-Backbone interact. energy: 2.698
local terms energy: -801.358444
where:
bonds (distance) C4'-P energy: -150.063
bonds (distance) P-C4' energy: -151.724
flat angles C4'-P-C4' energy: -164.727
flat angles P-C4'-P energy: -107.420
tors. eta vs tors. theta energy: -227.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2426.340296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.340296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.340296 (E_RNA)
where:
Base-Base interactions energy: -1674.024
where: short stacking energy: -750.285
Base-Backbone interact. energy: -2.791
local terms energy: -749.525164
where:
bonds (distance) C4'-P energy: -128.619
bonds (distance) P-C4' energy: -147.511
flat angles C4'-P-C4' energy: -160.040
flat angles P-C4'-P energy: -105.160
tors. eta vs tors. theta energy: -208.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2379.387557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.387557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.387557 (E_RNA)
where:
Base-Base interactions energy: -1611.386
where: short stacking energy: -686.404
Base-Backbone interact. energy: -3.743
local terms energy: -764.257756
where:
bonds (distance) C4'-P energy: -149.186
bonds (distance) P-C4' energy: -140.248
flat angles C4'-P-C4' energy: -159.626
flat angles P-C4'-P energy: -108.392
tors. eta vs tors. theta energy: -206.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2265.505556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.505556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.505556 (E_RNA)
where:
Base-Base interactions energy: -1578.620
where: short stacking energy: -650.667
Base-Backbone interact. energy: -1.348
local terms energy: -685.537622
where:
bonds (distance) C4'-P energy: -128.233
bonds (distance) P-C4' energy: -115.828
flat angles C4'-P-C4' energy: -150.553
flat angles P-C4'-P energy: -104.852
tors. eta vs tors. theta energy: -186.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2203.906166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.906166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.906166 (E_RNA)
where:
Base-Base interactions energy: -1478.638
where: short stacking energy: -658.205
Base-Backbone interact. energy: -5.241
local terms energy: -720.027481
where:
bonds (distance) C4'-P energy: -136.100
bonds (distance) P-C4' energy: -142.970
flat angles C4'-P-C4' energy: -153.316
flat angles P-C4'-P energy: -95.227
tors. eta vs tors. theta energy: -192.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1965.576902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.576902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.576902 (E_RNA)
where:
Base-Base interactions energy: -1292.914
where: short stacking energy: -556.778
Base-Backbone interact. energy: -1.444
local terms energy: -671.219271
where:
bonds (distance) C4'-P energy: -133.648
bonds (distance) P-C4' energy: -145.955
flat angles C4'-P-C4' energy: -144.120
flat angles P-C4'-P energy: -90.133
tors. eta vs tors. theta energy: -157.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1388.226797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.226797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.226797 (E_RNA)
where:
Base-Base interactions energy: -866.867
where: short stacking energy: -419.229
Base-Backbone interact. energy: 6.611
local terms energy: -527.970475
where:
bonds (distance) C4'-P energy: -125.978
bonds (distance) P-C4' energy: -129.220
flat angles C4'-P-C4' energy: -145.470
flat angles P-C4'-P energy: -62.182
tors. eta vs tors. theta energy: -65.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1300.365095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.365095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.365095 (E_RNA)
where:
Base-Base interactions energy: -771.048
where: short stacking energy: -393.504
Base-Backbone interact. energy: 0.497
local terms energy: -529.814431
where:
bonds (distance) C4'-P energy: -118.141
bonds (distance) P-C4' energy: -139.663
flat angles C4'-P-C4' energy: -116.229
flat angles P-C4'-P energy: -79.480
tors. eta vs tors. theta energy: -76.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1042.600032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.600032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.600032 (E_RNA)
where:
Base-Base interactions energy: -609.765
where: short stacking energy: -294.912
Base-Backbone interact. energy: 2.105
local terms energy: -434.939642
where:
bonds (distance) C4'-P energy: -122.899
bonds (distance) P-C4' energy: -111.240
flat angles C4'-P-C4' energy: -100.639
flat angles P-C4'-P energy: -63.761
tors. eta vs tors. theta energy: -36.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -704.795616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.795616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.795616 (E_RNA)
where:
Base-Base interactions energy: -325.222
where: short stacking energy: -208.232
Base-Backbone interact. energy: 5.764
local terms energy: -385.337372
where:
bonds (distance) C4'-P energy: -122.150
bonds (distance) P-C4' energy: -97.153
flat angles C4'-P-C4' energy: -106.770
flat angles P-C4'-P energy: -69.103
tors. eta vs tors. theta energy: 9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2562.253021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.253021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.253021 (E_RNA)
where:
Base-Base interactions energy: -1771.190
where: short stacking energy: -776.280
Base-Backbone interact. energy: -2.426
local terms energy: -788.636598
where:
bonds (distance) C4'-P energy: -123.617
bonds (distance) P-C4' energy: -145.354
flat angles C4'-P-C4' energy: -167.847
flat angles P-C4'-P energy: -111.240
tors. eta vs tors. theta energy: -240.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2426.229487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.229487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.229487 (E_RNA)
where:
Base-Base interactions energy: -1654.724
where: short stacking energy: -693.819
Base-Backbone interact. energy: -2.510
local terms energy: -768.995410
where:
bonds (distance) C4'-P energy: -152.097
bonds (distance) P-C4' energy: -150.705
flat angles C4'-P-C4' energy: -159.937
flat angles P-C4'-P energy: -102.321
tors. eta vs tors. theta energy: -203.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2425.558962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.558962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.558962 (E_RNA)
where:
Base-Base interactions energy: -1640.926
where: short stacking energy: -720.034
Base-Backbone interact. energy: -1.545
local terms energy: -783.087664
where:
bonds (distance) C4'-P energy: -144.389
bonds (distance) P-C4' energy: -143.409
flat angles C4'-P-C4' energy: -175.245
flat angles P-C4'-P energy: -111.653
tors. eta vs tors. theta energy: -208.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2235.196313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.196313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.196313 (E_RNA)
where:
Base-Base interactions energy: -1536.927
where: short stacking energy: -632.151
Base-Backbone interact. energy: -1.790
local terms energy: -696.479894
where:
bonds (distance) C4'-P energy: -129.625
bonds (distance) P-C4' energy: -127.108
flat angles C4'-P-C4' energy: -153.499
flat angles P-C4'-P energy: -107.369
tors. eta vs tors. theta energy: -178.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2197.243546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.243546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.243546 (E_RNA)
where:
Base-Base interactions energy: -1496.988
where: short stacking energy: -645.375
Base-Backbone interact. energy: -0.949
local terms energy: -699.306618
where:
bonds (distance) C4'-P energy: -127.903
bonds (distance) P-C4' energy: -126.928
flat angles C4'-P-C4' energy: -161.415
flat angles P-C4'-P energy: -104.171
tors. eta vs tors. theta energy: -178.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1899.015388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.015388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.015388 (E_RNA)
where:
Base-Base interactions energy: -1236.055
where: short stacking energy: -548.104
Base-Backbone interact. energy: -3.625
local terms energy: -659.336130
where:
bonds (distance) C4'-P energy: -130.015
bonds (distance) P-C4' energy: -137.645
flat angles C4'-P-C4' energy: -147.930
flat angles P-C4'-P energy: -92.456
tors. eta vs tors. theta energy: -151.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1373.224817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.224817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.224817 (E_RNA)
where:
Base-Base interactions energy: -882.419
where: short stacking energy: -422.092
Base-Backbone interact. energy: 6.306
local terms energy: -497.112216
where:
bonds (distance) C4'-P energy: -109.182
bonds (distance) P-C4' energy: -106.244
flat angles C4'-P-C4' energy: -146.919
flat angles P-C4'-P energy: -63.263
tors. eta vs tors. theta energy: -71.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1315.423759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.423759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.423759 (E_RNA)
where:
Base-Base interactions energy: -828.862
where: short stacking energy: -361.213
Base-Backbone interact. energy: 0.272
local terms energy: -486.832961
where:
bonds (distance) C4'-P energy: -131.999
bonds (distance) P-C4' energy: -108.278
flat angles C4'-P-C4' energy: -125.010
flat angles P-C4'-P energy: -76.440
tors. eta vs tors. theta energy: -45.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1069.203665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.203665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.203665 (E_RNA)
where:
Base-Base interactions energy: -637.099
where: short stacking energy: -310.474
Base-Backbone interact. energy: 1.118
local terms energy: -433.222724
where:
bonds (distance) C4'-P energy: -106.488
bonds (distance) P-C4' energy: -133.108
flat angles C4'-P-C4' energy: -111.617
flat angles P-C4'-P energy: -56.824
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -805.703404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.703404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.703404 (E_RNA)
where:
Base-Base interactions energy: -409.202
where: short stacking energy: -237.574
Base-Backbone interact. energy: -1.428
local terms energy: -395.073606
where:
bonds (distance) C4'-P energy: -98.618
bonds (distance) P-C4' energy: -120.769
flat angles C4'-P-C4' energy: -110.536
flat angles P-C4'-P energy: -56.362
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2562.649545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.649545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.649545 (E_RNA)
where:
Base-Base interactions energy: -1737.554
where: short stacking energy: -768.018
Base-Backbone interact. energy: -2.568
local terms energy: -822.527685
where:
bonds (distance) C4'-P energy: -152.396
bonds (distance) P-C4' energy: -146.471
flat angles C4'-P-C4' energy: -171.977
flat angles P-C4'-P energy: -116.844
tors. eta vs tors. theta energy: -234.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2478.017451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.017451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.017451 (E_RNA)
where:
Base-Base interactions energy: -1689.502
where: short stacking energy: -713.424
Base-Backbone interact. energy: -2.849
local terms energy: -785.666617
where:
bonds (distance) C4'-P energy: -130.779
bonds (distance) P-C4' energy: -158.013
flat angles C4'-P-C4' energy: -171.085
flat angles P-C4'-P energy: -113.951
tors. eta vs tors. theta energy: -211.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2390.565290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.565290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.565290 (E_RNA)
where:
Base-Base interactions energy: -1647.593
where: short stacking energy: -711.592
Base-Backbone interact. energy: -4.901
local terms energy: -738.070829
where:
bonds (distance) C4'-P energy: -122.361
bonds (distance) P-C4' energy: -137.913
flat angles C4'-P-C4' energy: -162.688
flat angles P-C4'-P energy: -106.439
tors. eta vs tors. theta energy: -208.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2234.958518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.958518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.958518 (E_RNA)
where:
Base-Base interactions energy: -1545.884
where: short stacking energy: -652.718
Base-Backbone interact. energy: -2.011
local terms energy: -687.062818
where:
bonds (distance) C4'-P energy: -122.381
bonds (distance) P-C4' energy: -132.056
flat angles C4'-P-C4' energy: -151.324
flat angles P-C4'-P energy: -97.765
tors. eta vs tors. theta energy: -183.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2207.563556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.563556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.563556 (E_RNA)
where:
Base-Base interactions energy: -1494.095
where: short stacking energy: -655.445
Base-Backbone interact. energy: 1.028
local terms energy: -714.496471
where:
bonds (distance) C4'-P energy: -134.411
bonds (distance) P-C4' energy: -136.871
flat angles C4'-P-C4' energy: -148.945
flat angles P-C4'-P energy: -89.579
tors. eta vs tors. theta energy: -204.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1849.067879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.067879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.067879 (E_RNA)
where:
Base-Base interactions energy: -1222.987
where: short stacking energy: -556.874
Base-Backbone interact. energy: -1.840
local terms energy: -624.240553
where:
bonds (distance) C4'-P energy: -122.578
bonds (distance) P-C4' energy: -124.501
flat angles C4'-P-C4' energy: -150.711
flat angles P-C4'-P energy: -91.963
tors. eta vs tors. theta energy: -134.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1386.656497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.656497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.656497 (E_RNA)
where:
Base-Base interactions energy: -838.893
where: short stacking energy: -398.941
Base-Backbone interact. energy: 2.184
local terms energy: -549.947259
where:
bonds (distance) C4'-P energy: -127.950
bonds (distance) P-C4' energy: -142.131
flat angles C4'-P-C4' energy: -122.300
flat angles P-C4'-P energy: -79.269
tors. eta vs tors. theta energy: -78.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1319.568196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.568196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.568196 (E_RNA)
where:
Base-Base interactions energy: -773.951
where: short stacking energy: -381.121
Base-Backbone interact. energy: 0.998
local terms energy: -546.615426
where:
bonds (distance) C4'-P energy: -126.947
bonds (distance) P-C4' energy: -120.819
flat angles C4'-P-C4' energy: -127.456
flat angles P-C4'-P energy: -90.134
tors. eta vs tors. theta energy: -81.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1085.748166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.748166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.748166 (E_RNA)
where:
Base-Base interactions energy: -609.606
where: short stacking energy: -317.865
Base-Backbone interact. energy: -2.605
local terms energy: -473.537340
where:
bonds (distance) C4'-P energy: -118.517
bonds (distance) P-C4' energy: -126.745
flat angles C4'-P-C4' energy: -111.646
flat angles P-C4'-P energy: -72.917
tors. eta vs tors. theta energy: -43.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -837.959090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.959090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.959090 (E_RNA)
where:
Base-Base interactions energy: -453.561
where: short stacking energy: -268.789
Base-Backbone interact. energy: 3.148
local terms energy: -387.546644
where:
bonds (distance) C4'-P energy: -99.166
bonds (distance) P-C4' energy: -90.416
flat angles C4'-P-C4' energy: -127.460
flat angles P-C4'-P energy: -68.576
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2551.032842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.032842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.032842 (E_RNA)
where:
Base-Base interactions energy: -1759.778
where: short stacking energy: -758.485
Base-Backbone interact. energy: -3.418
local terms energy: -787.836882
where:
bonds (distance) C4'-P energy: -140.958
bonds (distance) P-C4' energy: -146.907
flat angles C4'-P-C4' energy: -174.546
flat angles P-C4'-P energy: -103.560
tors. eta vs tors. theta energy: -221.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2470.753938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.753938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.753938 (E_RNA)
where:
Base-Base interactions energy: -1690.574
where: short stacking energy: -739.172
Base-Backbone interact. energy: 1.605
local terms energy: -781.785180
where:
bonds (distance) C4'-P energy: -148.339
bonds (distance) P-C4' energy: -144.426
flat angles C4'-P-C4' energy: -162.425
flat angles P-C4'-P energy: -116.603
tors. eta vs tors. theta energy: -209.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2400.549245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.549245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.549245 (E_RNA)
where:
Base-Base interactions energy: -1650.809
where: short stacking energy: -696.724
Base-Backbone interact. energy: -3.716
local terms energy: -746.024710
where:
bonds (distance) C4'-P energy: -126.391
bonds (distance) P-C4' energy: -149.241
flat angles C4'-P-C4' energy: -149.066
flat angles P-C4'-P energy: -123.244
tors. eta vs tors. theta energy: -198.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2270.022623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.022623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.022623 (E_RNA)
where:
Base-Base interactions energy: -1541.985
where: short stacking energy: -633.726
Base-Backbone interact. energy: -3.602
local terms energy: -724.435877
where:
bonds (distance) C4'-P energy: -132.176
bonds (distance) P-C4' energy: -147.548
flat angles C4'-P-C4' energy: -151.128
flat angles P-C4'-P energy: -113.328
tors. eta vs tors. theta energy: -180.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2184.084676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.084676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.084676 (E_RNA)
where:
Base-Base interactions energy: -1511.550
where: short stacking energy: -637.020
Base-Backbone interact. energy: -2.869
local terms energy: -669.665479
where:
bonds (distance) C4'-P energy: -117.826
bonds (distance) P-C4' energy: -131.065
flat angles C4'-P-C4' energy: -144.615
flat angles P-C4'-P energy: -92.454
tors. eta vs tors. theta energy: -183.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1858.255271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.255271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.255271 (E_RNA)
where:
Base-Base interactions energy: -1222.449
where: short stacking energy: -523.692
Base-Backbone interact. energy: 0.750
local terms energy: -636.557038
where:
bonds (distance) C4'-P energy: -129.379
bonds (distance) P-C4' energy: -136.117
flat angles C4'-P-C4' energy: -131.312
flat angles P-C4'-P energy: -109.535
tors. eta vs tors. theta energy: -130.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1377.064179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.064179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.064179 (E_RNA)
where:
Base-Base interactions energy: -817.792
where: short stacking energy: -409.742
Base-Backbone interact. energy: -1.269
local terms energy: -558.003005
where:
bonds (distance) C4'-P energy: -127.645
bonds (distance) P-C4' energy: -144.287
flat angles C4'-P-C4' energy: -131.314
flat angles P-C4'-P energy: -71.792
tors. eta vs tors. theta energy: -82.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1365.343280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.343280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.343280 (E_RNA)
where:
Base-Base interactions energy: -847.405
where: short stacking energy: -371.552
Base-Backbone interact. energy: -2.164
local terms energy: -515.773831
where:
bonds (distance) C4'-P energy: -121.266
bonds (distance) P-C4' energy: -132.822
flat angles C4'-P-C4' energy: -128.152
flat angles P-C4'-P energy: -80.372
tors. eta vs tors. theta energy: -53.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1057.058031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.058031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.058031 (E_RNA)
where:
Base-Base interactions energy: -579.296
where: short stacking energy: -303.162
Base-Backbone interact. energy: 2.564
local terms energy: -480.325604
where:
bonds (distance) C4'-P energy: -121.455
bonds (distance) P-C4' energy: -117.124
flat angles C4'-P-C4' energy: -124.079
flat angles P-C4'-P energy: -65.892
tors. eta vs tors. theta energy: -51.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -833.511920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.511920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.511920 (E_RNA)
where:
Base-Base interactions energy: -416.355
where: short stacking energy: -223.701
Base-Backbone interact. energy: -2.995
local terms energy: -414.161913
where:
bonds (distance) C4'-P energy: -115.039
bonds (distance) P-C4' energy: -110.620
flat angles C4'-P-C4' energy: -125.827
flat angles P-C4'-P energy: -61.937
tors. eta vs tors. theta energy: -0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2544.214899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.214899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.214899 (E_RNA)
where:
Base-Base interactions energy: -1744.026
where: short stacking energy: -759.098
Base-Backbone interact. energy: 1.051
local terms energy: -801.239900
where:
bonds (distance) C4'-P energy: -141.390
bonds (distance) P-C4' energy: -140.651
flat angles C4'-P-C4' energy: -171.545
flat angles P-C4'-P energy: -117.810
tors. eta vs tors. theta energy: -229.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2453.155319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.155319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.155319 (E_RNA)
where:
Base-Base interactions energy: -1705.685
where: short stacking energy: -754.871
Base-Backbone interact. energy: -1.664
local terms energy: -745.806078
where:
bonds (distance) C4'-P energy: -133.903
bonds (distance) P-C4' energy: -148.473
flat angles C4'-P-C4' energy: -161.418
flat angles P-C4'-P energy: -94.225
tors. eta vs tors. theta energy: -207.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2394.850059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.850059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.850059 (E_RNA)
where:
Base-Base interactions energy: -1644.604
where: short stacking energy: -715.096
Base-Backbone interact. energy: -1.956
local terms energy: -748.289784
where:
bonds (distance) C4'-P energy: -127.759
bonds (distance) P-C4' energy: -137.737
flat angles C4'-P-C4' energy: -160.540
flat angles P-C4'-P energy: -111.675
tors. eta vs tors. theta energy: -210.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2278.589536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.589536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.589536 (E_RNA)
where:
Base-Base interactions energy: -1590.580
where: short stacking energy: -657.813
Base-Backbone interact. energy: -3.242
local terms energy: -684.767186
where:
bonds (distance) C4'-P energy: -134.062
bonds (distance) P-C4' energy: -123.317
flat angles C4'-P-C4' energy: -157.369
flat angles P-C4'-P energy: -84.484
tors. eta vs tors. theta energy: -185.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2193.829385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.829385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.829385 (E_RNA)
where:
Base-Base interactions energy: -1491.302
where: short stacking energy: -678.399
Base-Backbone interact. energy: -0.477
local terms energy: -702.050181
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -138.501
flat angles C4'-P-C4' energy: -151.307
flat angles P-C4'-P energy: -101.808
tors. eta vs tors. theta energy: -195.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1899.100802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.100802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.100802 (E_RNA)
where:
Base-Base interactions energy: -1252.134
where: short stacking energy: -570.122
Base-Backbone interact. energy: 0.217
local terms energy: -647.184062
where:
bonds (distance) C4'-P energy: -119.109
bonds (distance) P-C4' energy: -136.329
flat angles C4'-P-C4' energy: -147.381
flat angles P-C4'-P energy: -88.987
tors. eta vs tors. theta energy: -155.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1483.274381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.274381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.274381 (E_RNA)
where:
Base-Base interactions energy: -948.861
where: short stacking energy: -415.742
Base-Backbone interact. energy: -1.244
local terms energy: -533.169093
where:
bonds (distance) C4'-P energy: -134.484
bonds (distance) P-C4' energy: -131.400
flat angles C4'-P-C4' energy: -115.066
flat angles P-C4'-P energy: -82.890
tors. eta vs tors. theta energy: -69.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1278.109232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.109232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.109232 (E_RNA)
where:
Base-Base interactions energy: -781.944
where: short stacking energy: -366.106
Base-Backbone interact. energy: 1.658
local terms energy: -497.823028
where:
bonds (distance) C4'-P energy: -125.556
bonds (distance) P-C4' energy: -111.546
flat angles C4'-P-C4' energy: -130.949
flat angles P-C4'-P energy: -69.026
tors. eta vs tors. theta energy: -60.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1005.038718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.038718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.038718 (E_RNA)
where:
Base-Base interactions energy: -576.966
where: short stacking energy: -273.326
Base-Backbone interact. energy: 4.403
local terms energy: -432.475623
where:
bonds (distance) C4'-P energy: -111.650
bonds (distance) P-C4' energy: -132.618
flat angles C4'-P-C4' energy: -105.487
flat angles P-C4'-P energy: -58.344
tors. eta vs tors. theta energy: -24.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -839.100435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.100435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.100435 (E_RNA)
where:
Base-Base interactions energy: -443.527
where: short stacking energy: -233.258
Base-Backbone interact. energy: -5.947
local terms energy: -389.626157
where:
bonds (distance) C4'-P energy: -107.439
bonds (distance) P-C4' energy: -115.029
flat angles C4'-P-C4' energy: -100.126
flat angles P-C4'-P energy: -60.367
tors. eta vs tors. theta energy: -6.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2551.997955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.997955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.997955 (E_RNA)
where:
Base-Base interactions energy: -1744.846
where: short stacking energy: -747.461
Base-Backbone interact. energy: 0.201
local terms energy: -807.353501
where:
bonds (distance) C4'-P energy: -144.699
bonds (distance) P-C4' energy: -147.616
flat angles C4'-P-C4' energy: -169.223
flat angles P-C4'-P energy: -122.852
tors. eta vs tors. theta energy: -222.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2460.192522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.192522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.192522 (E_RNA)
where:
Base-Base interactions energy: -1679.890
where: short stacking energy: -739.278
Base-Backbone interact. energy: -2.725
local terms energy: -777.577139
where:
bonds (distance) C4'-P energy: -136.059
bonds (distance) P-C4' energy: -144.477
flat angles C4'-P-C4' energy: -165.327
flat angles P-C4'-P energy: -117.881
tors. eta vs tors. theta energy: -213.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2347.457064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.457064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.457064 (E_RNA)
where:
Base-Base interactions energy: -1586.413
where: short stacking energy: -711.287
Base-Backbone interact. energy: -2.573
local terms energy: -758.470977
where:
bonds (distance) C4'-P energy: -147.604
bonds (distance) P-C4' energy: -129.692
flat angles C4'-P-C4' energy: -171.752
flat angles P-C4'-P energy: -91.312
tors. eta vs tors. theta energy: -218.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2361.411751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.411751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.411751 (E_RNA)
where:
Base-Base interactions energy: -1632.087
where: short stacking energy: -663.724
Base-Backbone interact. energy: -3.827
local terms energy: -725.498146
where:
bonds (distance) C4'-P energy: -134.661
bonds (distance) P-C4' energy: -139.964
flat angles C4'-P-C4' energy: -161.415
flat angles P-C4'-P energy: -105.629
tors. eta vs tors. theta energy: -183.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2144.284338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.284338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.284338 (E_RNA)
where:
Base-Base interactions energy: -1440.296
where: short stacking energy: -649.282
Base-Backbone interact. energy: -1.292
local terms energy: -702.695686
where:
bonds (distance) C4'-P energy: -134.404
bonds (distance) P-C4' energy: -122.183
flat angles C4'-P-C4' energy: -154.066
flat angles P-C4'-P energy: -103.901
tors. eta vs tors. theta energy: -188.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1895.387270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.387270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.387270 (E_RNA)
where:
Base-Base interactions energy: -1265.966
where: short stacking energy: -528.407
Base-Backbone interact. energy: -0.698
local terms energy: -628.723351
where:
bonds (distance) C4'-P energy: -121.749
bonds (distance) P-C4' energy: -139.538
flat angles C4'-P-C4' energy: -140.958
flat angles P-C4'-P energy: -85.138
tors. eta vs tors. theta energy: -141.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1495.737530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.737530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.737530 (E_RNA)
where:
Base-Base interactions energy: -944.215
where: short stacking energy: -426.781
Base-Backbone interact. energy: -1.123
local terms energy: -550.399920
where:
bonds (distance) C4'-P energy: -112.832
bonds (distance) P-C4' energy: -123.084
flat angles C4'-P-C4' energy: -136.186
flat angles P-C4'-P energy: -81.127
tors. eta vs tors. theta energy: -97.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1238.606259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.606259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.606259 (E_RNA)
where:
Base-Base interactions energy: -782.401
where: short stacking energy: -384.646
Base-Backbone interact. energy: 1.914
local terms energy: -458.119947
where:
bonds (distance) C4'-P energy: -106.887
bonds (distance) P-C4' energy: -127.793
flat angles C4'-P-C4' energy: -103.947
flat angles P-C4'-P energy: -61.647
tors. eta vs tors. theta energy: -57.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1016.444832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.444832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.444832 (E_RNA)
where:
Base-Base interactions energy: -544.384
where: short stacking energy: -295.181
Base-Backbone interact. energy: -0.600
local terms energy: -471.460958
where:
bonds (distance) C4'-P energy: -108.024
bonds (distance) P-C4' energy: -129.165
flat angles C4'-P-C4' energy: -118.658
flat angles P-C4'-P energy: -76.769
tors. eta vs tors. theta energy: -38.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -824.512441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.512441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.512441 (E_RNA)
where:
Base-Base interactions energy: -458.374
where: short stacking energy: -221.229
Base-Backbone interact. energy: -0.839
local terms energy: -365.299146
where:
bonds (distance) C4'-P energy: -112.026
bonds (distance) P-C4' energy: -136.456
flat angles C4'-P-C4' energy: -63.483
flat angles P-C4'-P energy: -72.786
tors. eta vs tors. theta energy: 19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2526.235312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.235312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.235312 (E_RNA)
where:
Base-Base interactions energy: -1729.247
where: short stacking energy: -745.536
Base-Backbone interact. energy: -4.561
local terms energy: -792.427708
where:
bonds (distance) C4'-P energy: -153.091
bonds (distance) P-C4' energy: -125.868
flat angles C4'-P-C4' energy: -169.135
flat angles P-C4'-P energy: -122.157
tors. eta vs tors. theta energy: -222.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2441.538063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.538063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.538063 (E_RNA)
where:
Base-Base interactions energy: -1687.989
where: short stacking energy: -742.401
Base-Backbone interact. energy: -1.744
local terms energy: -751.804202
where:
bonds (distance) C4'-P energy: -134.479
bonds (distance) P-C4' energy: -140.104
flat angles C4'-P-C4' energy: -169.987
flat angles P-C4'-P energy: -98.074
tors. eta vs tors. theta energy: -209.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2394.690383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.690383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.690383 (E_RNA)
where:
Base-Base interactions energy: -1675.702
where: short stacking energy: -685.239
Base-Backbone interact. energy: -5.560
local terms energy: -713.427669
where:
bonds (distance) C4'-P energy: -133.599
bonds (distance) P-C4' energy: -122.676
flat angles C4'-P-C4' energy: -158.498
flat angles P-C4'-P energy: -105.710
tors. eta vs tors. theta energy: -192.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2307.353172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.353172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.353172 (E_RNA)
where:
Base-Base interactions energy: -1577.915
where: short stacking energy: -716.961
Base-Backbone interact. energy: -4.423
local terms energy: -725.014808
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -132.026
flat angles C4'-P-C4' energy: -156.351
flat angles P-C4'-P energy: -96.065
tors. eta vs tors. theta energy: -213.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2085.050779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.050779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.050779 (E_RNA)
where:
Base-Base interactions energy: -1434.152
where: short stacking energy: -644.295
Base-Backbone interact. energy: 1.241
local terms energy: -652.140380
where:
bonds (distance) C4'-P energy: -118.665
bonds (distance) P-C4' energy: -119.831
flat angles C4'-P-C4' energy: -147.650
flat angles P-C4'-P energy: -88.378
tors. eta vs tors. theta energy: -177.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1857.384159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.384159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.384159 (E_RNA)
where:
Base-Base interactions energy: -1274.872
where: short stacking energy: -535.834
Base-Backbone interact. energy: -3.403
local terms energy: -579.109464
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -134.052
flat angles C4'-P-C4' energy: -139.304
flat angles P-C4'-P energy: -86.027
tors. eta vs tors. theta energy: -119.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1450.981795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.981795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.981795 (E_RNA)
where:
Base-Base interactions energy: -941.933
where: short stacking energy: -458.631
Base-Backbone interact. energy: 0.016
local terms energy: -509.064678
where:
bonds (distance) C4'-P energy: -104.310
bonds (distance) P-C4' energy: -103.810
flat angles C4'-P-C4' energy: -134.601
flat angles P-C4'-P energy: -73.398
tors. eta vs tors. theta energy: -92.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1235.247758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.247758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.247758 (E_RNA)
where:
Base-Base interactions energy: -750.702
where: short stacking energy: -373.221
Base-Backbone interact. energy: -0.022
local terms energy: -484.523046
where:
bonds (distance) C4'-P energy: -105.241
bonds (distance) P-C4' energy: -137.606
flat angles C4'-P-C4' energy: -115.220
flat angles P-C4'-P energy: -73.990
tors. eta vs tors. theta energy: -52.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -995.302745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.302745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.302745 (E_RNA)
where:
Base-Base interactions energy: -552.141
where: short stacking energy: -277.072
Base-Backbone interact. energy: 5.694
local terms energy: -448.854894
where:
bonds (distance) C4'-P energy: -116.154
bonds (distance) P-C4' energy: -132.225
flat angles C4'-P-C4' energy: -93.599
flat angles P-C4'-P energy: -82.371
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -760.006098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.006098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.006098 (E_RNA)
where:
Base-Base interactions energy: -356.121
where: short stacking energy: -179.053
Base-Backbone interact. energy: 6.119
local terms energy: -410.004050
where:
bonds (distance) C4'-P energy: -110.095
bonds (distance) P-C4' energy: -139.846
flat angles C4'-P-C4' energy: -88.020
flat angles P-C4'-P energy: -80.907
tors. eta vs tors. theta energy: 8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2519.723273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.723273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.723273 (E_RNA)
where:
Base-Base interactions energy: -1710.191
where: short stacking energy: -760.248
Base-Backbone interact. energy: -1.336
local terms energy: -808.196457
where:
bonds (distance) C4'-P energy: -151.277
bonds (distance) P-C4' energy: -163.693
flat angles C4'-P-C4' energy: -156.259
flat angles P-C4'-P energy: -104.710
tors. eta vs tors. theta energy: -232.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2463.753622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.753622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.753622 (E_RNA)
where:
Base-Base interactions energy: -1714.476
where: short stacking energy: -722.684
Base-Backbone interact. energy: -2.260
local terms energy: -747.017787
where:
bonds (distance) C4'-P energy: -148.073
bonds (distance) P-C4' energy: -137.480
flat angles C4'-P-C4' energy: -160.250
flat angles P-C4'-P energy: -102.333
tors. eta vs tors. theta energy: -198.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2395.532027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.532027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.532027 (E_RNA)
where:
Base-Base interactions energy: -1663.391
where: short stacking energy: -691.427
Base-Backbone interact. energy: -4.805
local terms energy: -727.335674
where:
bonds (distance) C4'-P energy: -130.736
bonds (distance) P-C4' energy: -135.815
flat angles C4'-P-C4' energy: -170.520
flat angles P-C4'-P energy: -104.159
tors. eta vs tors. theta energy: -186.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2288.313103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.313103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.313103 (E_RNA)
where:
Base-Base interactions energy: -1542.631
where: short stacking energy: -687.559
Base-Backbone interact. energy: 0.848
local terms energy: -746.529885
where:
bonds (distance) C4'-P energy: -149.707
bonds (distance) P-C4' energy: -127.672
flat angles C4'-P-C4' energy: -165.969
flat angles P-C4'-P energy: -104.160
tors. eta vs tors. theta energy: -199.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2147.267171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.267171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.267171 (E_RNA)
where:
Base-Base interactions energy: -1444.066
where: short stacking energy: -674.253
Base-Backbone interact. energy: -1.960
local terms energy: -701.241317
where:
bonds (distance) C4'-P energy: -127.376
bonds (distance) P-C4' energy: -138.845
flat angles C4'-P-C4' energy: -152.324
flat angles P-C4'-P energy: -88.276
tors. eta vs tors. theta energy: -194.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1938.409612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.409612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.409612 (E_RNA)
where:
Base-Base interactions energy: -1317.504
where: short stacking energy: -541.504
Base-Backbone interact. energy: -4.054
local terms energy: -616.851557
where:
bonds (distance) C4'-P energy: -135.839
bonds (distance) P-C4' energy: -124.805
flat angles C4'-P-C4' energy: -132.443
flat angles P-C4'-P energy: -89.041
tors. eta vs tors. theta energy: -134.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1588.379418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.379418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.379418 (E_RNA)
where:
Base-Base interactions energy: -1037.877
where: short stacking energy: -486.363
Base-Backbone interact. energy: -1.954
local terms energy: -548.547655
where:
bonds (distance) C4'-P energy: -103.774
bonds (distance) P-C4' energy: -128.960
flat angles C4'-P-C4' energy: -146.399
flat angles P-C4'-P energy: -64.736
tors. eta vs tors. theta energy: -104.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1222.060983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.060983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.060983 (E_RNA)
where:
Base-Base interactions energy: -704.521
where: short stacking energy: -361.340
Base-Backbone interact. energy: 2.330
local terms energy: -519.870099
where:
bonds (distance) C4'-P energy: -112.911
bonds (distance) P-C4' energy: -118.755
flat angles C4'-P-C4' energy: -126.141
flat angles P-C4'-P energy: -85.426
tors. eta vs tors. theta energy: -76.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -959.533940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.533940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.533940 (E_RNA)
where:
Base-Base interactions energy: -537.647
where: short stacking energy: -272.837
Base-Backbone interact. energy: -1.314
local terms energy: -420.573654
where:
bonds (distance) C4'-P energy: -107.757
bonds (distance) P-C4' energy: -128.066
flat angles C4'-P-C4' energy: -113.914
flat angles P-C4'-P energy: -67.988
tors. eta vs tors. theta energy: -2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -759.296335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.296335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.296335 (E_RNA)
where:
Base-Base interactions energy: -369.718
where: short stacking energy: -215.363
Base-Backbone interact. energy: -1.186
local terms energy: -388.391494
where:
bonds (distance) C4'-P energy: -100.119
bonds (distance) P-C4' energy: -123.602
flat angles C4'-P-C4' energy: -100.132
flat angles P-C4'-P energy: -67.849
tors. eta vs tors. theta energy: 3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2552.826949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.826949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.826949 (E_RNA)
where:
Base-Base interactions energy: -1724.762
where: short stacking energy: -764.854
Base-Backbone interact. energy: -2.916
local terms energy: -825.148082
where:
bonds (distance) C4'-P energy: -158.398
bonds (distance) P-C4' energy: -149.534
flat angles C4'-P-C4' energy: -169.211
flat angles P-C4'-P energy: -111.876
tors. eta vs tors. theta energy: -236.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2464.465749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.465749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.465749 (E_RNA)
where:
Base-Base interactions energy: -1705.834
where: short stacking energy: -735.658
Base-Backbone interact. energy: -2.940
local terms energy: -755.691923
where:
bonds (distance) C4'-P energy: -134.334
bonds (distance) P-C4' energy: -144.395
flat angles C4'-P-C4' energy: -169.097
flat angles P-C4'-P energy: -97.011
tors. eta vs tors. theta energy: -210.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2399.401805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.401805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.401805 (E_RNA)
where:
Base-Base interactions energy: -1670.415
where: short stacking energy: -678.688
Base-Backbone interact. energy: -2.082
local terms energy: -726.904282
where:
bonds (distance) C4'-P energy: -133.193
bonds (distance) P-C4' energy: -135.117
flat angles C4'-P-C4' energy: -154.840
flat angles P-C4'-P energy: -99.053
tors. eta vs tors. theta energy: -204.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2313.281383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.281383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.281383 (E_RNA)
where:
Base-Base interactions energy: -1609.665
where: short stacking energy: -694.459
Base-Backbone interact. energy: -4.490
local terms energy: -699.127235
where:
bonds (distance) C4'-P energy: -131.844
bonds (distance) P-C4' energy: -114.099
flat angles C4'-P-C4' energy: -154.086
flat angles P-C4'-P energy: -93.378
tors. eta vs tors. theta energy: -205.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2156.343954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.343954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.343954 (E_RNA)
where:
Base-Base interactions energy: -1455.268
where: short stacking energy: -639.830
Base-Backbone interact. energy: -0.605
local terms energy: -700.470568
where:
bonds (distance) C4'-P energy: -117.990
bonds (distance) P-C4' energy: -146.577
flat angles C4'-P-C4' energy: -148.236
flat angles P-C4'-P energy: -92.833
tors. eta vs tors. theta energy: -194.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1967.863978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.863978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.863978 (E_RNA)
where:
Base-Base interactions energy: -1299.663
where: short stacking energy: -552.235
Base-Backbone interact. energy: -0.463
local terms energy: -667.737472
where:
bonds (distance) C4'-P energy: -125.670
bonds (distance) P-C4' energy: -133.779
flat angles C4'-P-C4' energy: -160.229
flat angles P-C4'-P energy: -98.877
tors. eta vs tors. theta energy: -149.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1553.249881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.249881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.249881 (E_RNA)
where:
Base-Base interactions energy: -970.665
where: short stacking energy: -450.754
Base-Backbone interact. energy: -2.115
local terms energy: -580.470572
where:
bonds (distance) C4'-P energy: -132.514
bonds (distance) P-C4' energy: -123.661
flat angles C4'-P-C4' energy: -139.915
flat angles P-C4'-P energy: -78.055
tors. eta vs tors. theta energy: -106.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1183.844436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.844436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.844436 (E_RNA)
where:
Base-Base interactions energy: -680.368
where: short stacking energy: -334.102
Base-Backbone interact. energy: -6.130
local terms energy: -497.346774
where:
bonds (distance) C4'-P energy: -115.126
bonds (distance) P-C4' energy: -128.865
flat angles C4'-P-C4' energy: -116.952
flat angles P-C4'-P energy: -86.240
tors. eta vs tors. theta energy: -50.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -875.604099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.604099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.604099 (E_RNA)
where:
Base-Base interactions energy: -450.254
where: short stacking energy: -241.084
Base-Backbone interact. energy: -3.138
local terms energy: -422.211767
where:
bonds (distance) C4'-P energy: -120.642
bonds (distance) P-C4' energy: -117.939
flat angles C4'-P-C4' energy: -100.898
flat angles P-C4'-P energy: -75.801
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -772.600135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.600135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.600135 (E_RNA)
where:
Base-Base interactions energy: -375.123
where: short stacking energy: -213.656
Base-Backbone interact. energy: -3.004
local terms energy: -394.473289
where:
bonds (distance) C4'-P energy: -115.532
bonds (distance) P-C4' energy: -120.433
flat angles C4'-P-C4' energy: -98.579
flat angles P-C4'-P energy: -61.245
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2553.985568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.985568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.985568 (E_RNA)
where:
Base-Base interactions energy: -1734.606
where: short stacking energy: -784.831
Base-Backbone interact. energy: 0.539
local terms energy: -819.918727
where:
bonds (distance) C4'-P energy: -150.938
bonds (distance) P-C4' energy: -148.855
flat angles C4'-P-C4' energy: -172.030
flat angles P-C4'-P energy: -105.017
tors. eta vs tors. theta energy: -243.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2460.872080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.872080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.872080 (E_RNA)
where:
Base-Base interactions energy: -1684.340
where: short stacking energy: -721.066
Base-Backbone interact. energy: -3.528
local terms energy: -773.003732
where:
bonds (distance) C4'-P energy: -144.171
bonds (distance) P-C4' energy: -143.894
flat angles C4'-P-C4' energy: -172.846
flat angles P-C4'-P energy: -106.438
tors. eta vs tors. theta energy: -205.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2394.028445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.028445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.028445 (E_RNA)
where:
Base-Base interactions energy: -1671.666
where: short stacking energy: -680.530
Base-Backbone interact. energy: -1.325
local terms energy: -721.037074
where:
bonds (distance) C4'-P energy: -134.076
bonds (distance) P-C4' energy: -144.855
flat angles C4'-P-C4' energy: -160.622
flat angles P-C4'-P energy: -94.574
tors. eta vs tors. theta energy: -186.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2295.354165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.354165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.354165 (E_RNA)
where:
Base-Base interactions energy: -1549.772
where: short stacking energy: -694.659
Base-Backbone interact. energy: -4.026
local terms energy: -741.556177
where:
bonds (distance) C4'-P energy: -120.453
bonds (distance) P-C4' energy: -147.245
flat angles C4'-P-C4' energy: -162.972
flat angles P-C4'-P energy: -107.611
tors. eta vs tors. theta energy: -203.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2169.690698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.690698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.690698 (E_RNA)
where:
Base-Base interactions energy: -1476.691
where: short stacking energy: -634.766
Base-Backbone interact. energy: -0.931
local terms energy: -692.068772
where:
bonds (distance) C4'-P energy: -133.222
bonds (distance) P-C4' energy: -134.529
flat angles C4'-P-C4' energy: -138.490
flat angles P-C4'-P energy: -100.927
tors. eta vs tors. theta energy: -184.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1985.083904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.083904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.083904 (E_RNA)
where:
Base-Base interactions energy: -1317.834
where: short stacking energy: -580.658
Base-Backbone interact. energy: -3.763
local terms energy: -663.487234
where:
bonds (distance) C4'-P energy: -134.124
bonds (distance) P-C4' energy: -129.829
flat angles C4'-P-C4' energy: -149.322
flat angles P-C4'-P energy: -105.745
tors. eta vs tors. theta energy: -144.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1499.412360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.412360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.412360 (E_RNA)
where:
Base-Base interactions energy: -955.020
where: short stacking energy: -448.609
Base-Backbone interact. energy: 0.317
local terms energy: -544.709031
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -132.786
flat angles C4'-P-C4' energy: -143.032
flat angles P-C4'-P energy: -85.010
tors. eta vs tors. theta energy: -75.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1191.459398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.459398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.459398 (E_RNA)
where:
Base-Base interactions energy: -685.516
where: short stacking energy: -351.128
Base-Backbone interact. energy: -0.153
local terms energy: -505.791076
where:
bonds (distance) C4'-P energy: -123.536
bonds (distance) P-C4' energy: -122.735
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -78.922
tors. eta vs tors. theta energy: -65.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -901.267429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.267429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.267429 (E_RNA)
where:
Base-Base interactions energy: -478.034
where: short stacking energy: -239.055
Base-Backbone interact. energy: -5.669
local terms energy: -417.564041
where:
bonds (distance) C4'-P energy: -118.012
bonds (distance) P-C4' energy: -134.418
flat angles C4'-P-C4' energy: -116.932
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: 2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -740.775157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.775157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.775157 (E_RNA)
where:
Base-Base interactions energy: -360.585
where: short stacking energy: -189.791
Base-Backbone interact. energy: 8.316
local terms energy: -388.506159
where:
bonds (distance) C4'-P energy: -119.988
bonds (distance) P-C4' energy: -131.850
flat angles C4'-P-C4' energy: -99.611
flat angles P-C4'-P energy: -57.653
tors. eta vs tors. theta energy: 20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2542.119333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.119333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.119333 (E_RNA)
where:
Base-Base interactions energy: -1743.531
where: short stacking energy: -731.325
Base-Backbone interact. energy: -3.621
local terms energy: -794.967310
where:
bonds (distance) C4'-P energy: -138.759
bonds (distance) P-C4' energy: -152.792
flat angles C4'-P-C4' energy: -164.270
flat angles P-C4'-P energy: -114.810
tors. eta vs tors. theta energy: -224.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2489.218383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.218383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.218383 (E_RNA)
where:
Base-Base interactions energy: -1722.009
where: short stacking energy: -735.611
Base-Backbone interact. energy: 1.146
local terms energy: -768.355430
where:
bonds (distance) C4'-P energy: -144.475
bonds (distance) P-C4' energy: -154.897
flat angles C4'-P-C4' energy: -160.585
flat angles P-C4'-P energy: -110.263
tors. eta vs tors. theta energy: -198.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2366.487107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.487107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.487107 (E_RNA)
where:
Base-Base interactions energy: -1607.192
where: short stacking energy: -719.237
Base-Backbone interact. energy: -4.546
local terms energy: -754.749233
where:
bonds (distance) C4'-P energy: -130.746
bonds (distance) P-C4' energy: -152.779
flat angles C4'-P-C4' energy: -151.912
flat angles P-C4'-P energy: -111.631
tors. eta vs tors. theta energy: -207.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2350.336442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.336442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.336442 (E_RNA)
where:
Base-Base interactions energy: -1640.349
where: short stacking energy: -637.671
Base-Backbone interact. energy: -1.663
local terms energy: -708.324369
where:
bonds (distance) C4'-P energy: -141.688
bonds (distance) P-C4' energy: -132.641
flat angles C4'-P-C4' energy: -158.766
flat angles P-C4'-P energy: -90.448
tors. eta vs tors. theta energy: -184.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2146.829405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.829405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.829405 (E_RNA)
where:
Base-Base interactions energy: -1434.019
where: short stacking energy: -612.762
Base-Backbone interact. energy: 3.432
local terms energy: -716.242542
where:
bonds (distance) C4'-P energy: -136.852
bonds (distance) P-C4' energy: -155.434
flat angles C4'-P-C4' energy: -129.759
flat angles P-C4'-P energy: -107.897
tors. eta vs tors. theta energy: -186.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1921.565244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.565244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.565244 (E_RNA)
where:
Base-Base interactions energy: -1266.988
where: short stacking energy: -549.943
Base-Backbone interact. energy: -2.174
local terms energy: -652.403690
where:
bonds (distance) C4'-P energy: -121.313
bonds (distance) P-C4' energy: -146.886
flat angles C4'-P-C4' energy: -146.126
flat angles P-C4'-P energy: -81.963
tors. eta vs tors. theta energy: -156.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1471.665903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.665903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.665903 (E_RNA)
where:
Base-Base interactions energy: -930.774
where: short stacking energy: -456.238
Base-Backbone interact. energy: -0.185
local terms energy: -540.706479
where:
bonds (distance) C4'-P energy: -111.841
bonds (distance) P-C4' energy: -131.711
flat angles C4'-P-C4' energy: -134.083
flat angles P-C4'-P energy: -71.563
tors. eta vs tors. theta energy: -91.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1179.358765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.358765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.358765 (E_RNA)
where:
Base-Base interactions energy: -686.789
where: short stacking energy: -335.076
Base-Backbone interact. energy: -2.597
local terms energy: -489.972173
where:
bonds (distance) C4'-P energy: -123.878
bonds (distance) P-C4' energy: -122.770
flat angles C4'-P-C4' energy: -111.867
flat angles P-C4'-P energy: -84.206
tors. eta vs tors. theta energy: -47.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -950.152890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.152890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.152890 (E_RNA)
where:
Base-Base interactions energy: -520.224
where: short stacking energy: -261.071
Base-Backbone interact. energy: -0.602
local terms energy: -429.326629
where:
bonds (distance) C4'-P energy: -115.524
bonds (distance) P-C4' energy: -120.716
flat angles C4'-P-C4' energy: -107.569
flat angles P-C4'-P energy: -73.867
tors. eta vs tors. theta energy: -11.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -762.495460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.495460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.495460 (E_RNA)
where:
Base-Base interactions energy: -402.336
where: short stacking energy: -226.273
Base-Backbone interact. energy: 2.689
local terms energy: -362.849078
where:
bonds (distance) C4'-P energy: -96.451
bonds (distance) P-C4' energy: -116.595
flat angles C4'-P-C4' energy: -90.819
flat angles P-C4'-P energy: -57.753
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2534.369341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.369341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.369341 (E_RNA)
where:
Base-Base interactions energy: -1732.827
where: short stacking energy: -760.390
Base-Backbone interact. energy: -2.727
local terms energy: -798.815426
where:
bonds (distance) C4'-P energy: -143.394
bonds (distance) P-C4' energy: -148.852
flat angles C4'-P-C4' energy: -170.306
flat angles P-C4'-P energy: -109.917
tors. eta vs tors. theta energy: -226.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2472.324199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.324199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.324199 (E_RNA)
where:
Base-Base interactions energy: -1711.268
where: short stacking energy: -724.335
Base-Backbone interact. energy: -1.735
local terms energy: -759.321405
where:
bonds (distance) C4'-P energy: -132.651
bonds (distance) P-C4' energy: -151.208
flat angles C4'-P-C4' energy: -160.768
flat angles P-C4'-P energy: -104.960
tors. eta vs tors. theta energy: -209.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2371.244101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.244101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.244101 (E_RNA)
where:
Base-Base interactions energy: -1620.767
where: short stacking energy: -712.152
Base-Backbone interact. energy: -4.080
local terms energy: -746.397238
where:
bonds (distance) C4'-P energy: -125.411
bonds (distance) P-C4' energy: -148.410
flat angles C4'-P-C4' energy: -157.775
flat angles P-C4'-P energy: -113.528
tors. eta vs tors. theta energy: -201.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2314.959970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.959970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.959970 (E_RNA)
where:
Base-Base interactions energy: -1628.102
where: short stacking energy: -657.894
Base-Backbone interact. energy: 0.546
local terms energy: -687.404387
where:
bonds (distance) C4'-P energy: -118.866
bonds (distance) P-C4' energy: -126.809
flat angles C4'-P-C4' energy: -159.902
flat angles P-C4'-P energy: -100.284
tors. eta vs tors. theta energy: -181.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2116.431185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.431185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.431185 (E_RNA)
where:
Base-Base interactions energy: -1421.175
where: short stacking energy: -618.568
Base-Backbone interact. energy: -6.820
local terms energy: -688.435607
where:
bonds (distance) C4'-P energy: -122.954
bonds (distance) P-C4' energy: -141.045
flat angles C4'-P-C4' energy: -137.907
flat angles P-C4'-P energy: -106.539
tors. eta vs tors. theta energy: -179.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1943.957483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.957483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.957483 (E_RNA)
where:
Base-Base interactions energy: -1325.483
where: short stacking energy: -571.428
Base-Backbone interact. energy: 0.937
local terms energy: -619.412059
where:
bonds (distance) C4'-P energy: -118.530
bonds (distance) P-C4' energy: -127.379
flat angles C4'-P-C4' energy: -132.557
flat angles P-C4'-P energy: -84.080
tors. eta vs tors. theta energy: -156.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1442.264476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.264476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.264476 (E_RNA)
where:
Base-Base interactions energy: -911.817
where: short stacking energy: -408.942
Base-Backbone interact. energy: 0.629
local terms energy: -531.075960
where:
bonds (distance) C4'-P energy: -106.303
bonds (distance) P-C4' energy: -118.811
flat angles C4'-P-C4' energy: -136.804
flat angles P-C4'-P energy: -85.939
tors. eta vs tors. theta energy: -83.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1196.941627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.941627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.941627 (E_RNA)
where:
Base-Base interactions energy: -723.415
where: short stacking energy: -367.593
Base-Backbone interact. energy: 0.260
local terms energy: -473.786229
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -132.820
flat angles C4'-P-C4' energy: -115.174
flat angles P-C4'-P energy: -60.454
tors. eta vs tors. theta energy: -62.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -941.209189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.209189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.209189 (E_RNA)
where:
Base-Base interactions energy: -532.260
where: short stacking energy: -279.426
Base-Backbone interact. energy: -1.495
local terms energy: -407.453995
where:
bonds (distance) C4'-P energy: -122.004
bonds (distance) P-C4' energy: -102.429
flat angles C4'-P-C4' energy: -117.408
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -761.803412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.803412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.803412 (E_RNA)
where:
Base-Base interactions energy: -352.601
where: short stacking energy: -206.738
Base-Backbone interact. energy: -3.166
local terms energy: -406.036647
where:
bonds (distance) C4'-P energy: -96.857
bonds (distance) P-C4' energy: -135.652
flat angles C4'-P-C4' energy: -109.060
flat angles P-C4'-P energy: -66.188
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2544.842215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.842215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.842215 (E_RNA)
where:
Base-Base interactions energy: -1737.749
where: short stacking energy: -756.204
Base-Backbone interact. energy: -2.506
local terms energy: -804.587307
where:
bonds (distance) C4'-P energy: -140.964
bonds (distance) P-C4' energy: -143.664
flat angles C4'-P-C4' energy: -168.733
flat angles P-C4'-P energy: -120.509
tors. eta vs tors. theta energy: -230.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2478.742092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.742092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.742092 (E_RNA)
where:
Base-Base interactions energy: -1724.115
where: short stacking energy: -735.881
Base-Backbone interact. energy: -2.997
local terms energy: -751.629354
where:
bonds (distance) C4'-P energy: -135.245
bonds (distance) P-C4' energy: -154.272
flat angles C4'-P-C4' energy: -160.507
flat angles P-C4'-P energy: -92.521
tors. eta vs tors. theta energy: -209.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2395.375989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.375989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.375989 (E_RNA)
where:
Base-Base interactions energy: -1642.788
where: short stacking energy: -724.224
Base-Backbone interact. energy: -4.679
local terms energy: -747.909529
where:
bonds (distance) C4'-P energy: -134.798
bonds (distance) P-C4' energy: -118.632
flat angles C4'-P-C4' energy: -164.280
flat angles P-C4'-P energy: -120.653
tors. eta vs tors. theta energy: -209.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2261.664378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.664378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.664378 (E_RNA)
where:
Base-Base interactions energy: -1594.189
where: short stacking energy: -663.644
Base-Backbone interact. energy: 0.011
local terms energy: -667.486543
where:
bonds (distance) C4'-P energy: -126.278
bonds (distance) P-C4' energy: -128.406
flat angles C4'-P-C4' energy: -145.443
flat angles P-C4'-P energy: -87.362
tors. eta vs tors. theta energy: -179.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2118.650539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.650539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.650539 (E_RNA)
where:
Base-Base interactions energy: -1447.359
where: short stacking energy: -627.080
Base-Backbone interact. energy: 3.110
local terms energy: -674.401456
where:
bonds (distance) C4'-P energy: -134.511
bonds (distance) P-C4' energy: -111.068
flat angles C4'-P-C4' energy: -151.666
flat angles P-C4'-P energy: -98.430
tors. eta vs tors. theta energy: -178.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1947.463937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.463937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.463937 (E_RNA)
where:
Base-Base interactions energy: -1325.551
where: short stacking energy: -593.448
Base-Backbone interact. energy: -0.154
local terms energy: -621.759001
where:
bonds (distance) C4'-P energy: -104.080
bonds (distance) P-C4' energy: -147.063
flat angles C4'-P-C4' energy: -146.398
flat angles P-C4'-P energy: -83.470
tors. eta vs tors. theta energy: -140.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1478.103978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.103978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.103978 (E_RNA)
where:
Base-Base interactions energy: -928.416
where: short stacking energy: -429.042
Base-Backbone interact. energy: -0.984
local terms energy: -548.704372
where:
bonds (distance) C4'-P energy: -103.887
bonds (distance) P-C4' energy: -123.875
flat angles C4'-P-C4' energy: -128.298
flat angles P-C4'-P energy: -98.835
tors. eta vs tors. theta energy: -93.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1241.974410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.974410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.974410 (E_RNA)
where:
Base-Base interactions energy: -724.815
where: short stacking energy: -346.557
Base-Backbone interact. energy: 0.263
local terms energy: -517.422621
where:
bonds (distance) C4'-P energy: -126.084
bonds (distance) P-C4' energy: -118.648
flat angles C4'-P-C4' energy: -138.744
flat angles P-C4'-P energy: -73.565
tors. eta vs tors. theta energy: -60.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -962.170192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.170192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.170192 (E_RNA)
where:
Base-Base interactions energy: -517.782
where: short stacking energy: -251.798
Base-Backbone interact. energy: -3.776
local terms energy: -440.612823
where:
bonds (distance) C4'-P energy: -123.325
bonds (distance) P-C4' energy: -125.273
flat angles C4'-P-C4' energy: -115.317
flat angles P-C4'-P energy: -61.947
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -770.611732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.611732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.611732 (E_RNA)
where:
Base-Base interactions energy: -354.638
where: short stacking energy: -196.286
Base-Backbone interact. energy: -2.205
local terms energy: -413.768078
where:
bonds (distance) C4'-P energy: -119.842
bonds (distance) P-C4' energy: -117.974
flat angles C4'-P-C4' energy: -111.139
flat angles P-C4'-P energy: -81.359
tors. eta vs tors. theta energy: 16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2557.929205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.929205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.929205 (E_RNA)
where:
Base-Base interactions energy: -1738.606
where: short stacking energy: -755.245
Base-Backbone interact. energy: -4.180
local terms energy: -815.143123
where:
bonds (distance) C4'-P energy: -150.486
bonds (distance) P-C4' energy: -145.952
flat angles C4'-P-C4' energy: -176.374
flat angles P-C4'-P energy: -116.501
tors. eta vs tors. theta energy: -225.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2506.300271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.300271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.300271 (E_RNA)
where:
Base-Base interactions energy: -1728.494
where: short stacking energy: -742.692
Base-Backbone interact. energy: 1.267
local terms energy: -779.073248
where:
bonds (distance) C4'-P energy: -129.729
bonds (distance) P-C4' energy: -157.337
flat angles C4'-P-C4' energy: -160.423
flat angles P-C4'-P energy: -114.806
tors. eta vs tors. theta energy: -216.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2412.105564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.105564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.105564 (E_RNA)
where:
Base-Base interactions energy: -1654.853
where: short stacking energy: -714.331
Base-Backbone interact. energy: -4.291
local terms energy: -752.961695
where:
bonds (distance) C4'-P energy: -139.932
bonds (distance) P-C4' energy: -140.703
flat angles C4'-P-C4' energy: -153.391
flat angles P-C4'-P energy: -97.614
tors. eta vs tors. theta energy: -221.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2306.280339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.280339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.280339 (E_RNA)
where:
Base-Base interactions energy: -1610.850
where: short stacking energy: -651.855
Base-Backbone interact. energy: -2.962
local terms energy: -692.468948
where:
bonds (distance) C4'-P energy: -121.971
bonds (distance) P-C4' energy: -136.304
flat angles C4'-P-C4' energy: -150.962
flat angles P-C4'-P energy: -96.733
tors. eta vs tors. theta energy: -186.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2183.031074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.031074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.031074 (E_RNA)
where:
Base-Base interactions energy: -1495.788
where: short stacking energy: -637.118
Base-Backbone interact. energy: -3.061
local terms energy: -684.182549
where:
bonds (distance) C4'-P energy: -127.627
bonds (distance) P-C4' energy: -124.585
flat angles C4'-P-C4' energy: -134.226
flat angles P-C4'-P energy: -102.069
tors. eta vs tors. theta energy: -195.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1946.037781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.037781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.037781 (E_RNA)
where:
Base-Base interactions energy: -1317.599
where: short stacking energy: -552.370
Base-Backbone interact. energy: 6.369
local terms energy: -634.807874
where:
bonds (distance) C4'-P energy: -124.031
bonds (distance) P-C4' energy: -128.318
flat angles C4'-P-C4' energy: -145.267
flat angles P-C4'-P energy: -90.251
tors. eta vs tors. theta energy: -146.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1521.009015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.009015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.009015 (E_RNA)
where:
Base-Base interactions energy: -991.605
where: short stacking energy: -447.803
Base-Backbone interact. energy: -2.075
local terms energy: -527.329155
where:
bonds (distance) C4'-P energy: -111.774
bonds (distance) P-C4' energy: -130.576
flat angles C4'-P-C4' energy: -118.395
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -94.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1185.989409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.989409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.989409 (E_RNA)
where:
Base-Base interactions energy: -718.113
where: short stacking energy: -354.147
Base-Backbone interact. energy: -1.346
local terms energy: -466.529846
where:
bonds (distance) C4'-P energy: -120.355
bonds (distance) P-C4' energy: -125.017
flat angles C4'-P-C4' energy: -113.824
flat angles P-C4'-P energy: -66.718
tors. eta vs tors. theta energy: -40.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -967.178473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.178473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.178473 (E_RNA)
where:
Base-Base interactions energy: -574.338
where: short stacking energy: -253.720
Base-Backbone interact. energy: -1.018
local terms energy: -391.822736
where:
bonds (distance) C4'-P energy: -106.107
bonds (distance) P-C4' energy: -126.443
flat angles C4'-P-C4' energy: -85.706
flat angles P-C4'-P energy: -51.101
tors. eta vs tors. theta energy: -22.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -794.810945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.810945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.810945 (E_RNA)
where:
Base-Base interactions energy: -372.238
where: short stacking energy: -222.397
Base-Backbone interact. energy: 4.733
local terms energy: -427.306171
where:
bonds (distance) C4'-P energy: -122.959
bonds (distance) P-C4' energy: -126.649
flat angles C4'-P-C4' energy: -109.816
flat angles P-C4'-P energy: -57.002
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2543.406378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.406378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.406378 (E_RNA)
where:
Base-Base interactions energy: -1744.598
where: short stacking energy: -760.963
Base-Backbone interact. energy: -4.706
local terms energy: -794.103121
where:
bonds (distance) C4'-P energy: -138.617
bonds (distance) P-C4' energy: -150.868
flat angles C4'-P-C4' energy: -170.718
flat angles P-C4'-P energy: -113.359
tors. eta vs tors. theta energy: -220.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2506.836491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.836491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.836491 (E_RNA)
where:
Base-Base interactions energy: -1731.082
where: short stacking energy: -739.711
Base-Backbone interact. energy: 1.362
local terms energy: -777.115890
where:
bonds (distance) C4'-P energy: -125.511
bonds (distance) P-C4' energy: -150.346
flat angles C4'-P-C4' energy: -175.332
flat angles P-C4'-P energy: -112.492
tors. eta vs tors. theta energy: -213.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2390.310842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.310842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.310842 (E_RNA)
where:
Base-Base interactions energy: -1649.509
where: short stacking energy: -731.852
Base-Backbone interact. energy: -2.238
local terms energy: -738.563730
where:
bonds (distance) C4'-P energy: -140.623
bonds (distance) P-C4' energy: -128.216
flat angles C4'-P-C4' energy: -151.032
flat angles P-C4'-P energy: -106.899
tors. eta vs tors. theta energy: -211.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2341.051693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.051693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.051693 (E_RNA)
where:
Base-Base interactions energy: -1634.303
where: short stacking energy: -677.521
Base-Backbone interact. energy: -0.263
local terms energy: -706.485798
where:
bonds (distance) C4'-P energy: -128.014
bonds (distance) P-C4' energy: -149.539
flat angles C4'-P-C4' energy: -144.223
flat angles P-C4'-P energy: -101.648
tors. eta vs tors. theta energy: -183.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2208.648271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.648271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.648271 (E_RNA)
where:
Base-Base interactions energy: -1485.511
where: short stacking energy: -675.497
Base-Backbone interact. energy: -0.990
local terms energy: -722.147256
where:
bonds (distance) C4'-P energy: -131.788
bonds (distance) P-C4' energy: -127.897
flat angles C4'-P-C4' energy: -155.310
flat angles P-C4'-P energy: -107.764
tors. eta vs tors. theta energy: -199.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1956.145128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.145128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.145128 (E_RNA)
where:
Base-Base interactions energy: -1346.486
where: short stacking energy: -587.208
Base-Backbone interact. energy: 2.084
local terms energy: -611.743126
where:
bonds (distance) C4'-P energy: -124.286
bonds (distance) P-C4' energy: -113.807
flat angles C4'-P-C4' energy: -123.770
flat angles P-C4'-P energy: -99.030
tors. eta vs tors. theta energy: -150.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1582.017382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.017382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.017382 (E_RNA)
where:
Base-Base interactions energy: -984.578
where: short stacking energy: -455.969
Base-Backbone interact. energy: 1.975
local terms energy: -599.414373
where:
bonds (distance) C4'-P energy: -135.377
bonds (distance) P-C4' energy: -123.251
flat angles C4'-P-C4' energy: -145.313
flat angles P-C4'-P energy: -87.783
tors. eta vs tors. theta energy: -107.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1203.070258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.070258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.070258 (E_RNA)
where:
Base-Base interactions energy: -710.327
where: short stacking energy: -328.604
Base-Backbone interact. energy: 3.864
local terms energy: -496.607679
where:
bonds (distance) C4'-P energy: -102.526
bonds (distance) P-C4' energy: -128.952
flat angles C4'-P-C4' energy: -132.094
flat angles P-C4'-P energy: -78.752
tors. eta vs tors. theta energy: -54.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -941.870449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.870449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.870449 (E_RNA)
where:
Base-Base interactions energy: -571.877
where: short stacking energy: -268.458
Base-Backbone interact. energy: -4.932
local terms energy: -365.060696
where:
bonds (distance) C4'-P energy: -86.086
bonds (distance) P-C4' energy: -115.512
flat angles C4'-P-C4' energy: -85.059
flat angles P-C4'-P energy: -50.867
tors. eta vs tors. theta energy: -27.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -843.362196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.362196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.362196 (E_RNA)
where:
Base-Base interactions energy: -449.526
where: short stacking energy: -251.960
Base-Backbone interact. energy: 2.392
local terms energy: -396.228715
where:
bonds (distance) C4'-P energy: -115.292
bonds (distance) P-C4' energy: -112.966
flat angles C4'-P-C4' energy: -103.438
flat angles P-C4'-P energy: -63.446
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2553.224189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.224189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.224189 (E_RNA)
where:
Base-Base interactions energy: -1760.077
where: short stacking energy: -758.160
Base-Backbone interact. energy: -2.531
local terms energy: -790.616868
where:
bonds (distance) C4'-P energy: -147.138
bonds (distance) P-C4' energy: -135.446
flat angles C4'-P-C4' energy: -166.389
flat angles P-C4'-P energy: -118.893
tors. eta vs tors. theta energy: -222.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2495.789391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.789391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.789391 (E_RNA)
where:
Base-Base interactions energy: -1723.220
where: short stacking energy: -726.949
Base-Backbone interact. energy: -1.195
local terms energy: -771.374360
where:
bonds (distance) C4'-P energy: -141.224
bonds (distance) P-C4' energy: -150.230
flat angles C4'-P-C4' energy: -169.476
flat angles P-C4'-P energy: -97.370
tors. eta vs tors. theta energy: -213.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2413.338562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.338562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.338562 (E_RNA)
where:
Base-Base interactions energy: -1633.619
where: short stacking energy: -721.734
Base-Backbone interact. energy: -4.364
local terms energy: -775.355666
where:
bonds (distance) C4'-P energy: -145.502
bonds (distance) P-C4' energy: -151.121
flat angles C4'-P-C4' energy: -163.897
flat angles P-C4'-P energy: -95.908
tors. eta vs tors. theta energy: -218.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2329.190304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.190304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.190304 (E_RNA)
where:
Base-Base interactions energy: -1616.315
where: short stacking energy: -660.548
Base-Backbone interact. energy: -1.478
local terms energy: -711.398088
where:
bonds (distance) C4'-P energy: -151.067
bonds (distance) P-C4' energy: -134.839
flat angles C4'-P-C4' energy: -150.738
flat angles P-C4'-P energy: -100.342
tors. eta vs tors. theta energy: -174.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2190.219994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.219994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.219994 (E_RNA)
where:
Base-Base interactions energy: -1474.519
where: short stacking energy: -637.414
Base-Backbone interact. energy: -3.965
local terms energy: -711.736658
where:
bonds (distance) C4'-P energy: -138.997
bonds (distance) P-C4' energy: -135.100
flat angles C4'-P-C4' energy: -155.958
flat angles P-C4'-P energy: -96.687
tors. eta vs tors. theta energy: -184.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1976.783391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.783391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.783391 (E_RNA)
where:
Base-Base interactions energy: -1317.162
where: short stacking energy: -569.749
Base-Backbone interact. energy: 0.848
local terms energy: -660.469568
where:
bonds (distance) C4'-P energy: -143.336
bonds (distance) P-C4' energy: -136.543
flat angles C4'-P-C4' energy: -134.333
flat angles P-C4'-P energy: -92.209
tors. eta vs tors. theta energy: -154.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1613.921263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.921263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.921263 (E_RNA)
where:
Base-Base interactions energy: -1033.109
where: short stacking energy: -496.472
Base-Backbone interact. energy: 2.340
local terms energy: -583.152355
where:
bonds (distance) C4'-P energy: -120.328
bonds (distance) P-C4' energy: -132.872
flat angles C4'-P-C4' energy: -128.059
flat angles P-C4'-P energy: -83.274
tors. eta vs tors. theta energy: -118.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1173.417994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.417994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.417994 (E_RNA)
where:
Base-Base interactions energy: -690.167
where: short stacking energy: -332.374
Base-Backbone interact. energy: 1.381
local terms energy: -484.631812
where:
bonds (distance) C4'-P energy: -124.593
bonds (distance) P-C4' energy: -120.331
flat angles C4'-P-C4' energy: -103.121
flat angles P-C4'-P energy: -77.026
tors. eta vs tors. theta energy: -59.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -945.351636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.351636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.351636 (E_RNA)
where:
Base-Base interactions energy: -509.308
where: short stacking energy: -269.241
Base-Backbone interact. energy: -0.521
local terms energy: -435.522189
where:
bonds (distance) C4'-P energy: -121.867
bonds (distance) P-C4' energy: -109.369
flat angles C4'-P-C4' energy: -116.865
flat angles P-C4'-P energy: -79.862
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -851.578697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.578697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.578697 (E_RNA)
where:
Base-Base interactions energy: -420.850
where: short stacking energy: -233.697
Base-Backbone interact. energy: 3.433
local terms energy: -434.161992
where:
bonds (distance) C4'-P energy: -121.054
bonds (distance) P-C4' energy: -127.328
flat angles C4'-P-C4' energy: -93.011
flat angles P-C4'-P energy: -80.180
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2602.085825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.085825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.085825 (E_RNA)
where:
Base-Base interactions energy: -1797.053
where: short stacking energy: -775.902
Base-Backbone interact. energy: -0.569
local terms energy: -804.463935
where:
bonds (distance) C4'-P energy: -137.272
bonds (distance) P-C4' energy: -158.102
flat angles C4'-P-C4' energy: -174.538
flat angles P-C4'-P energy: -110.344
tors. eta vs tors. theta energy: -224.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2533.867702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.867702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.867702 (E_RNA)
where:
Base-Base interactions energy: -1757.660
where: short stacking energy: -727.664
Base-Backbone interact. energy: -1.295
local terms energy: -774.912605
where:
bonds (distance) C4'-P energy: -139.005
bonds (distance) P-C4' energy: -153.871
flat angles C4'-P-C4' energy: -159.677
flat angles P-C4'-P energy: -103.486
tors. eta vs tors. theta energy: -218.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2351.856494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.856494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.856494 (E_RNA)
where:
Base-Base interactions energy: -1682.645
where: short stacking energy: -682.692
Base-Backbone interact. energy: 1.720
local terms energy: -670.931378
where:
bonds (distance) C4'-P energy: -140.479
bonds (distance) P-C4' energy: -127.104
flat angles C4'-P-C4' energy: -142.537
flat angles P-C4'-P energy: -83.334
tors. eta vs tors. theta energy: -177.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2361.119088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.119088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.119088 (E_RNA)
where:
Base-Base interactions energy: -1619.848
where: short stacking energy: -713.291
Base-Backbone interact. energy: -2.018
local terms energy: -739.253453
where:
bonds (distance) C4'-P energy: -124.422
bonds (distance) P-C4' energy: -142.441
flat angles C4'-P-C4' energy: -165.503
flat angles P-C4'-P energy: -104.069
tors. eta vs tors. theta energy: -202.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2188.376194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.376194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.376194 (E_RNA)
where:
Base-Base interactions energy: -1504.349
where: short stacking energy: -671.117
Base-Backbone interact. energy: -3.007
local terms energy: -681.020096
where:
bonds (distance) C4'-P energy: -101.532
bonds (distance) P-C4' energy: -128.353
flat angles C4'-P-C4' energy: -157.211
flat angles P-C4'-P energy: -98.170
tors. eta vs tors. theta energy: -195.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2011.531452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.531452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.531452 (E_RNA)
where:
Base-Base interactions energy: -1391.770
where: short stacking energy: -599.559
Base-Backbone interact. energy: -1.693
local terms energy: -618.068495
where:
bonds (distance) C4'-P energy: -109.926
bonds (distance) P-C4' energy: -123.194
flat angles C4'-P-C4' energy: -136.018
flat angles P-C4'-P energy: -95.866
tors. eta vs tors. theta energy: -153.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1538.394531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.394531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.394531 (E_RNA)
where:
Base-Base interactions energy: -981.354
where: short stacking energy: -448.423
Base-Backbone interact. energy: -1.363
local terms energy: -555.677670
where:
bonds (distance) C4'-P energy: -124.829
bonds (distance) P-C4' energy: -115.419
flat angles C4'-P-C4' energy: -119.243
flat angles P-C4'-P energy: -96.562
tors. eta vs tors. theta energy: -99.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1254.266784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.266784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.266784 (E_RNA)
where:
Base-Base interactions energy: -755.506
where: short stacking energy: -340.286
Base-Backbone interact. energy: 1.327
local terms energy: -500.087988
where:
bonds (distance) C4'-P energy: -131.116
bonds (distance) P-C4' energy: -132.067
flat angles C4'-P-C4' energy: -127.397
flat angles P-C4'-P energy: -81.436
tors. eta vs tors. theta energy: -28.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1024.532322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.532322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.532322 (E_RNA)
where:
Base-Base interactions energy: -594.404
where: short stacking energy: -292.018
Base-Backbone interact. energy: 8.746
local terms energy: -438.874548
where:
bonds (distance) C4'-P energy: -113.953
bonds (distance) P-C4' energy: -130.101
flat angles C4'-P-C4' energy: -103.495
flat angles P-C4'-P energy: -65.926
tors. eta vs tors. theta energy: -25.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -833.848862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.848862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.848862 (E_RNA)
where:
Base-Base interactions energy: -432.741
where: short stacking energy: -238.465
Base-Backbone interact. energy: 1.655
local terms energy: -402.762705
where:
bonds (distance) C4'-P energy: -110.098
bonds (distance) P-C4' energy: -123.913
flat angles C4'-P-C4' energy: -100.814
flat angles P-C4'-P energy: -59.533
tors. eta vs tors. theta energy: -8.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2554.578348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.578348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.578348 (E_RNA)
where:
Base-Base interactions energy: -1755.694
where: short stacking energy: -746.938
Base-Backbone interact. energy: -1.753
local terms energy: -797.131361
where:
bonds (distance) C4'-P energy: -146.506
bonds (distance) P-C4' energy: -148.887
flat angles C4'-P-C4' energy: -169.807
flat angles P-C4'-P energy: -117.041
tors. eta vs tors. theta energy: -214.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2467.189969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.189969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.189969 (E_RNA)
where:
Base-Base interactions energy: -1714.001
where: short stacking energy: -751.282
Base-Backbone interact. energy: -0.378
local terms energy: -752.811312
where:
bonds (distance) C4'-P energy: -144.031
bonds (distance) P-C4' energy: -129.087
flat angles C4'-P-C4' energy: -152.508
flat angles P-C4'-P energy: -112.168
tors. eta vs tors. theta energy: -215.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2391.652305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.652305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.652305 (E_RNA)
where:
Base-Base interactions energy: -1652.409
where: short stacking energy: -679.225
Base-Backbone interact. energy: -0.754
local terms energy: -738.489351
where:
bonds (distance) C4'-P energy: -148.275
bonds (distance) P-C4' energy: -135.579
flat angles C4'-P-C4' energy: -155.915
flat angles P-C4'-P energy: -108.911
tors. eta vs tors. theta energy: -189.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2353.932450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.932450 (E_RNA)
where:
Base-Base interactions energy: -1617.497
where: short stacking energy: -687.104
Base-Backbone interact. energy: -2.785
local terms energy: -733.650751
where:
bonds (distance) C4'-P energy: -134.978
bonds (distance) P-C4' energy: -140.855
flat angles C4'-P-C4' energy: -163.427
flat angles P-C4'-P energy: -104.661
tors. eta vs tors. theta energy: -189.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2202.909963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.909963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.909963 (E_RNA)
where:
Base-Base interactions energy: -1514.851
where: short stacking energy: -657.821
Base-Backbone interact. energy: 1.714
local terms energy: -689.773138
where:
bonds (distance) C4'-P energy: -132.987
bonds (distance) P-C4' energy: -125.458
flat angles C4'-P-C4' energy: -139.742
flat angles P-C4'-P energy: -92.231
tors. eta vs tors. theta energy: -199.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2001.027402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.027402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.027402 (E_RNA)
where:
Base-Base interactions energy: -1360.527
where: short stacking energy: -593.279
Base-Backbone interact. energy: 4.453
local terms energy: -644.952566
where:
bonds (distance) C4'-P energy: -129.861
bonds (distance) P-C4' energy: -124.364
flat angles C4'-P-C4' energy: -146.982
flat angles P-C4'-P energy: -89.634
tors. eta vs tors. theta energy: -154.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1658.442035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.442035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.442035 (E_RNA)
where:
Base-Base interactions energy: -1119.125
where: short stacking energy: -495.578
Base-Backbone interact. energy: -2.158
local terms energy: -537.159623
where:
bonds (distance) C4'-P energy: -112.853
bonds (distance) P-C4' energy: -129.007
flat angles C4'-P-C4' energy: -116.948
flat angles P-C4'-P energy: -84.592
tors. eta vs tors. theta energy: -93.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1237.005182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.005182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.005182 (E_RNA)
where:
Base-Base interactions energy: -773.008
where: short stacking energy: -384.020
Base-Backbone interact. energy: 1.276
local terms energy: -465.272750
where:
bonds (distance) C4'-P energy: -114.450
bonds (distance) P-C4' energy: -129.035
flat angles C4'-P-C4' energy: -96.528
flat angles P-C4'-P energy: -66.377
tors. eta vs tors. theta energy: -58.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1041.055211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.055211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.055211 (E_RNA)
where:
Base-Base interactions energy: -586.916
where: short stacking energy: -274.371
Base-Backbone interact. energy: 0.051
local terms energy: -454.189628
where:
bonds (distance) C4'-P energy: -113.394
bonds (distance) P-C4' energy: -124.957
flat angles C4'-P-C4' energy: -121.569
flat angles P-C4'-P energy: -76.881
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -856.849674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.849674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.849674 (E_RNA)
where:
Base-Base interactions energy: -459.771
where: short stacking energy: -260.748
Base-Backbone interact. energy: 0.060
local terms energy: -397.138342
where:
bonds (distance) C4'-P energy: -107.906
bonds (distance) P-C4' energy: -103.400
flat angles C4'-P-C4' energy: -132.339
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2545.684386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.684386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.684386 (E_RNA)
where:
Base-Base interactions energy: -1746.442
where: short stacking energy: -757.498
Base-Backbone interact. energy: 3.935
local terms energy: -803.177492
where:
bonds (distance) C4'-P energy: -136.182
bonds (distance) P-C4' energy: -146.561
flat angles C4'-P-C4' energy: -177.500
flat angles P-C4'-P energy: -116.062
tors. eta vs tors. theta energy: -226.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2455.426164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.426164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.426164 (E_RNA)
where:
Base-Base interactions energy: -1716.482
where: short stacking energy: -742.912
Base-Backbone interact. energy: 0.013
local terms energy: -738.957304
where:
bonds (distance) C4'-P energy: -144.667
bonds (distance) P-C4' energy: -138.626
flat angles C4'-P-C4' energy: -148.787
flat angles P-C4'-P energy: -100.753
tors. eta vs tors. theta energy: -206.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2377.335206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.335206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.335206 (E_RNA)
where:
Base-Base interactions energy: -1619.476
where: short stacking energy: -689.440
Base-Backbone interact. energy: -1.477
local terms energy: -756.382372
where:
bonds (distance) C4'-P energy: -162.013
bonds (distance) P-C4' energy: -141.187
flat angles C4'-P-C4' energy: -160.201
flat angles P-C4'-P energy: -105.559
tors. eta vs tors. theta energy: -187.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2328.839174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.839174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.839174 (E_RNA)
where:
Base-Base interactions energy: -1625.486
where: short stacking energy: -704.940
Base-Backbone interact. energy: -3.892
local terms energy: -699.460344
where:
bonds (distance) C4'-P energy: -130.933
bonds (distance) P-C4' energy: -130.136
flat angles C4'-P-C4' energy: -147.110
flat angles P-C4'-P energy: -93.290
tors. eta vs tors. theta energy: -197.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2209.509296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.509296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.509296 (E_RNA)
where:
Base-Base interactions energy: -1498.428
where: short stacking energy: -661.286
Base-Backbone interact. energy: -2.834
local terms energy: -708.247965
where:
bonds (distance) C4'-P energy: -135.236
bonds (distance) P-C4' energy: -123.092
flat angles C4'-P-C4' energy: -149.925
flat angles P-C4'-P energy: -104.849
tors. eta vs tors. theta energy: -195.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1986.511680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.511680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.511680 (E_RNA)
where:
Base-Base interactions energy: -1369.986
where: short stacking energy: -619.930
Base-Backbone interact. energy: -0.731
local terms energy: -615.794715
where:
bonds (distance) C4'-P energy: -105.928
bonds (distance) P-C4' energy: -134.177
flat angles C4'-P-C4' energy: -142.464
flat angles P-C4'-P energy: -88.113
tors. eta vs tors. theta energy: -145.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1605.269873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.269873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.269873 (E_RNA)
where:
Base-Base interactions energy: -1047.199
where: short stacking energy: -457.975
Base-Backbone interact. energy: 0.216
local terms energy: -558.287816
where:
bonds (distance) C4'-P energy: -108.033
bonds (distance) P-C4' energy: -133.575
flat angles C4'-P-C4' energy: -133.698
flat angles P-C4'-P energy: -77.405
tors. eta vs tors. theta energy: -105.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1253.170736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.170736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.170736 (E_RNA)
where:
Base-Base interactions energy: -775.692
where: short stacking energy: -388.565
Base-Backbone interact. energy: 3.067
local terms energy: -480.545724
where:
bonds (distance) C4'-P energy: -118.191
bonds (distance) P-C4' energy: -132.539
flat angles C4'-P-C4' energy: -101.973
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -56.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1094.432995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.432995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.432995 (E_RNA)
where:
Base-Base interactions energy: -637.645
where: short stacking energy: -305.073
Base-Backbone interact. energy: -1.854
local terms energy: -454.934132
where:
bonds (distance) C4'-P energy: -114.752
bonds (distance) P-C4' energy: -119.818
flat angles C4'-P-C4' energy: -118.312
flat angles P-C4'-P energy: -68.348
tors. eta vs tors. theta energy: -33.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -808.874121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.874121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.874121 (E_RNA)
where:
Base-Base interactions energy: -449.644
where: short stacking energy: -241.455
Base-Backbone interact. energy: 10.354
local terms energy: -369.584778
where:
bonds (distance) C4'-P energy: -92.575
bonds (distance) P-C4' energy: -118.798
flat angles C4'-P-C4' energy: -100.035
flat angles P-C4'-P energy: -73.807
tors. eta vs tors. theta energy: 15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2542.494884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.494884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.494884 (E_RNA)
where:
Base-Base interactions energy: -1734.794
where: short stacking energy: -759.625
Base-Backbone interact. energy: -1.392
local terms energy: -806.309595
where:
bonds (distance) C4'-P energy: -137.468
bonds (distance) P-C4' energy: -145.680
flat angles C4'-P-C4' energy: -173.600
flat angles P-C4'-P energy: -124.631
tors. eta vs tors. theta energy: -224.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2468.891153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.891153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.891153 (E_RNA)
where:
Base-Base interactions energy: -1723.704
where: short stacking energy: -744.731
Base-Backbone interact. energy: 7.309
local terms energy: -752.496368
where:
bonds (distance) C4'-P energy: -143.032
bonds (distance) P-C4' energy: -133.772
flat angles C4'-P-C4' energy: -151.823
flat angles P-C4'-P energy: -113.616
tors. eta vs tors. theta energy: -210.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2353.110984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.110984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.110984 (E_RNA)
where:
Base-Base interactions energy: -1631.937
where: short stacking energy: -694.666
Base-Backbone interact. energy: -2.989
local terms energy: -718.185048
where:
bonds (distance) C4'-P energy: -131.226
bonds (distance) P-C4' energy: -136.296
flat angles C4'-P-C4' energy: -160.077
flat angles P-C4'-P energy: -92.622
tors. eta vs tors. theta energy: -197.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2336.524885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.524885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.524885 (E_RNA)
where:
Base-Base interactions energy: -1610.695
where: short stacking energy: -686.129
Base-Backbone interact. energy: -1.912
local terms energy: -723.918509
where:
bonds (distance) C4'-P energy: -135.236
bonds (distance) P-C4' energy: -130.512
flat angles C4'-P-C4' energy: -158.637
flat angles P-C4'-P energy: -108.773
tors. eta vs tors. theta energy: -190.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2214.669838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.669838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.669838 (E_RNA)
where:
Base-Base interactions energy: -1514.998
where: short stacking energy: -659.478
Base-Backbone interact. energy: -2.944
local terms energy: -696.728064
where:
bonds (distance) C4'-P energy: -132.766
bonds (distance) P-C4' energy: -138.579
flat angles C4'-P-C4' energy: -145.569
flat angles P-C4'-P energy: -83.327
tors. eta vs tors. theta energy: -196.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2018.295678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.295678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.295678 (E_RNA)
where:
Base-Base interactions energy: -1379.762
where: short stacking energy: -594.360
Base-Backbone interact. energy: -0.140
local terms energy: -638.393963
where:
bonds (distance) C4'-P energy: -128.055
bonds (distance) P-C4' energy: -114.430
flat angles C4'-P-C4' energy: -151.411
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -159.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1628.327532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.327532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.327532 (E_RNA)
where:
Base-Base interactions energy: -1074.722
where: short stacking energy: -468.789
Base-Backbone interact. energy: -2.123
local terms energy: -551.482989
where:
bonds (distance) C4'-P energy: -116.293
bonds (distance) P-C4' energy: -133.426
flat angles C4'-P-C4' energy: -113.206
flat angles P-C4'-P energy: -71.427
tors. eta vs tors. theta energy: -117.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1217.577764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.577764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.577764 (E_RNA)
where:
Base-Base interactions energy: -737.986
where: short stacking energy: -373.863
Base-Backbone interact. energy: 2.266
local terms energy: -481.858057
where:
bonds (distance) C4'-P energy: -107.264
bonds (distance) P-C4' energy: -128.276
flat angles C4'-P-C4' energy: -115.374
flat angles P-C4'-P energy: -68.382
tors. eta vs tors. theta energy: -62.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1099.352843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.352843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.352843 (E_RNA)
where:
Base-Base interactions energy: -663.440
where: short stacking energy: -318.824
Base-Backbone interact. energy: 1.139
local terms energy: -437.052214
where:
bonds (distance) C4'-P energy: -115.657
bonds (distance) P-C4' energy: -106.160
flat angles C4'-P-C4' energy: -113.363
flat angles P-C4'-P energy: -68.064
tors. eta vs tors. theta energy: -33.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -841.647121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.647121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.647121 (E_RNA)
where:
Base-Base interactions energy: -426.335
where: short stacking energy: -249.488
Base-Backbone interact. energy: 1.102
local terms energy: -416.414557
where:
bonds (distance) C4'-P energy: -107.726
bonds (distance) P-C4' energy: -121.555
flat angles C4'-P-C4' energy: -114.032
flat angles P-C4'-P energy: -58.711
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2533.992602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.992602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.992602 (E_RNA)
where:
Base-Base interactions energy: -1733.546
where: short stacking energy: -752.318
Base-Backbone interact. energy: -4.856
local terms energy: -795.590917
where:
bonds (distance) C4'-P energy: -143.918
bonds (distance) P-C4' energy: -148.732
flat angles C4'-P-C4' energy: -164.656
flat angles P-C4'-P energy: -121.289
tors. eta vs tors. theta energy: -216.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2504.158202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.158202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.158202 (E_RNA)
where:
Base-Base interactions energy: -1756.733
where: short stacking energy: -778.515
Base-Backbone interact. energy: -2.162
local terms energy: -745.263262
where:
bonds (distance) C4'-P energy: -115.620
bonds (distance) P-C4' energy: -145.066
flat angles C4'-P-C4' energy: -160.877
flat angles P-C4'-P energy: -106.810
tors. eta vs tors. theta energy: -216.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2436.406643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.406643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.406643 (E_RNA)
where:
Base-Base interactions energy: -1650.002
where: short stacking energy: -689.431
Base-Backbone interact. energy: -1.245
local terms energy: -785.160327
where:
bonds (distance) C4'-P energy: -145.555
bonds (distance) P-C4' energy: -153.059
flat angles C4'-P-C4' energy: -163.721
flat angles P-C4'-P energy: -111.612
tors. eta vs tors. theta energy: -211.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2287.186885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.186885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.186885 (E_RNA)
where:
Base-Base interactions energy: -1586.146
where: short stacking energy: -655.930
Base-Backbone interact. energy: -3.439
local terms energy: -697.602427
where:
bonds (distance) C4'-P energy: -134.488
bonds (distance) P-C4' energy: -128.630
flat angles C4'-P-C4' energy: -147.896
flat angles P-C4'-P energy: -96.722
tors. eta vs tors. theta energy: -189.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2178.739965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.739965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.739965 (E_RNA)
where:
Base-Base interactions energy: -1506.361
where: short stacking energy: -643.715
Base-Backbone interact. energy: -0.297
local terms energy: -672.081712
where:
bonds (distance) C4'-P energy: -110.963
bonds (distance) P-C4' energy: -125.056
flat angles C4'-P-C4' energy: -155.284
flat angles P-C4'-P energy: -102.338
tors. eta vs tors. theta energy: -178.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2025.973883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.973883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.973883 (E_RNA)
where:
Base-Base interactions energy: -1345.837
where: short stacking energy: -566.871
Base-Backbone interact. energy: -4.554
local terms energy: -675.583026
where:
bonds (distance) C4'-P energy: -123.340
bonds (distance) P-C4' energy: -131.538
flat angles C4'-P-C4' energy: -148.550
flat angles P-C4'-P energy: -105.633
tors. eta vs tors. theta energy: -166.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1673.990086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.990086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.990086 (E_RNA)
where:
Base-Base interactions energy: -1083.490
where: short stacking energy: -479.234
Base-Backbone interact. energy: -2.559
local terms energy: -587.940700
where:
bonds (distance) C4'-P energy: -110.709
bonds (distance) P-C4' energy: -126.778
flat angles C4'-P-C4' energy: -148.159
flat angles P-C4'-P energy: -93.480
tors. eta vs tors. theta energy: -108.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1215.046156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.046156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.046156 (E_RNA)
where:
Base-Base interactions energy: -702.088
where: short stacking energy: -358.123
Base-Backbone interact. energy: -0.202
local terms energy: -512.755803
where:
bonds (distance) C4'-P energy: -124.250
bonds (distance) P-C4' energy: -127.826
flat angles C4'-P-C4' energy: -133.029
flat angles P-C4'-P energy: -70.796
tors. eta vs tors. theta energy: -56.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1117.627715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.627715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.627715 (E_RNA)
where:
Base-Base interactions energy: -646.604
where: short stacking energy: -320.769
Base-Backbone interact. energy: 5.728
local terms energy: -476.751165
where:
bonds (distance) C4'-P energy: -109.591
bonds (distance) P-C4' energy: -116.649
flat angles C4'-P-C4' energy: -115.520
flat angles P-C4'-P energy: -82.722
tors. eta vs tors. theta energy: -52.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -880.728053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.728053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.728053 (E_RNA)
where:
Base-Base interactions energy: -486.943
where: short stacking energy: -270.949
Base-Backbone interact. energy: -1.278
local terms energy: -392.507003
where:
bonds (distance) C4'-P energy: -108.847
bonds (distance) P-C4' energy: -115.399
flat angles C4'-P-C4' energy: -109.243
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2553.614568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.614568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.614568 (E_RNA)
where:
Base-Base interactions energy: -1751.483
where: short stacking energy: -790.346
Base-Backbone interact. energy: -3.436
local terms energy: -798.695620
where:
bonds (distance) C4'-P energy: -122.219
bonds (distance) P-C4' energy: -152.135
flat angles C4'-P-C4' energy: -171.591
flat angles P-C4'-P energy: -116.446
tors. eta vs tors. theta energy: -236.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2472.945852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.945852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.945852 (E_RNA)
where:
Base-Base interactions energy: -1715.247
where: short stacking energy: -726.990
Base-Backbone interact. energy: -1.822
local terms energy: -755.877004
where:
bonds (distance) C4'-P energy: -136.443
bonds (distance) P-C4' energy: -136.938
flat angles C4'-P-C4' energy: -163.862
flat angles P-C4'-P energy: -102.334
tors. eta vs tors. theta energy: -216.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2412.691269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.691269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.691269 (E_RNA)
where:
Base-Base interactions energy: -1651.685
where: short stacking energy: -736.167
Base-Backbone interact. energy: 0.500
local terms energy: -761.506356
where:
bonds (distance) C4'-P energy: -144.680
bonds (distance) P-C4' energy: -149.575
flat angles C4'-P-C4' energy: -154.493
flat angles P-C4'-P energy: -113.701
tors. eta vs tors. theta energy: -199.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2239.064907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.064907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.064907 (E_RNA)
where:
Base-Base interactions energy: -1546.866
where: short stacking energy: -623.794
Base-Backbone interact. energy: -4.113
local terms energy: -688.085958
where:
bonds (distance) C4'-P energy: -139.022
bonds (distance) P-C4' energy: -145.773
flat angles C4'-P-C4' energy: -143.749
flat angles P-C4'-P energy: -83.008
tors. eta vs tors. theta energy: -176.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2170.902957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.902957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.902957 (E_RNA)
where:
Base-Base interactions energy: -1491.093
where: short stacking energy: -659.029
Base-Backbone interact. energy: -5.995
local terms energy: -673.814105
where:
bonds (distance) C4'-P energy: -129.529
bonds (distance) P-C4' energy: -128.733
flat angles C4'-P-C4' energy: -126.190
flat angles P-C4'-P energy: -104.463
tors. eta vs tors. theta energy: -184.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2036.968093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.968093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.968093 (E_RNA)
where:
Base-Base interactions energy: -1400.452
where: short stacking energy: -607.357
Base-Backbone interact. energy: 6.084
local terms energy: -642.600479
where:
bonds (distance) C4'-P energy: -124.034
bonds (distance) P-C4' energy: -124.470
flat angles C4'-P-C4' energy: -134.286
flat angles P-C4'-P energy: -95.648
tors. eta vs tors. theta energy: -164.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1710.802370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.802370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.802370 (E_RNA)
where:
Base-Base interactions energy: -1149.824
where: short stacking energy: -524.452
Base-Backbone interact. energy: -4.020
local terms energy: -556.958504
where:
bonds (distance) C4'-P energy: -107.081
bonds (distance) P-C4' energy: -113.904
flat angles C4'-P-C4' energy: -125.108
flat angles P-C4'-P energy: -71.298
tors. eta vs tors. theta energy: -139.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1279.899739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.899739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.899739 (E_RNA)
where:
Base-Base interactions energy: -762.328
where: short stacking energy: -370.240
Base-Backbone interact. energy: 1.679
local terms energy: -519.251606
where:
bonds (distance) C4'-P energy: -113.405
bonds (distance) P-C4' energy: -131.217
flat angles C4'-P-C4' energy: -139.081
flat angles P-C4'-P energy: -79.419
tors. eta vs tors. theta energy: -56.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1145.129764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.129764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.129764 (E_RNA)
where:
Base-Base interactions energy: -683.076
where: short stacking energy: -308.655
Base-Backbone interact. energy: -4.330
local terms energy: -457.723858
where:
bonds (distance) C4'-P energy: -110.924
bonds (distance) P-C4' energy: -128.701
flat angles C4'-P-C4' energy: -110.505
flat angles P-C4'-P energy: -74.998
tors. eta vs tors. theta energy: -32.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -874.880024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.880024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.880024 (E_RNA)
where:
Base-Base interactions energy: -461.003
where: short stacking energy: -237.465
Base-Backbone interact. energy: 0.059
local terms energy: -413.935747
where:
bonds (distance) C4'-P energy: -106.730
bonds (distance) P-C4' energy: -124.444
flat angles C4'-P-C4' energy: -100.837
flat angles P-C4'-P energy: -53.435
tors. eta vs tors. theta energy: -28.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2566.368676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.368676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.368676 (E_RNA)
where:
Base-Base interactions energy: -1752.333
where: short stacking energy: -792.825
Base-Backbone interact. energy: -4.968
local terms energy: -809.067496
where:
bonds (distance) C4'-P energy: -144.921
bonds (distance) P-C4' energy: -139.590
flat angles C4'-P-C4' energy: -178.712
flat angles P-C4'-P energy: -104.638
tors. eta vs tors. theta energy: -241.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2446.196512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.196512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.196512 (E_RNA)
where:
Base-Base interactions energy: -1678.339
where: short stacking energy: -711.758
Base-Backbone interact. energy: -1.627
local terms energy: -766.230593
where:
bonds (distance) C4'-P energy: -142.098
bonds (distance) P-C4' energy: -146.238
flat angles C4'-P-C4' energy: -157.380
flat angles P-C4'-P energy: -115.322
tors. eta vs tors. theta energy: -205.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2413.883259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.883259 (E_RNA)
where:
Base-Base interactions energy: -1675.049
where: short stacking energy: -690.501
Base-Backbone interact. energy: -3.119
local terms energy: -735.715345
where:
bonds (distance) C4'-P energy: -133.790
bonds (distance) P-C4' energy: -151.207
flat angles C4'-P-C4' energy: -157.192
flat angles P-C4'-P energy: -95.005
tors. eta vs tors. theta energy: -198.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2244.778033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.778033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.778033 (E_RNA)
where:
Base-Base interactions energy: -1542.669
where: short stacking energy: -655.275
Base-Backbone interact. energy: 3.704
local terms energy: -705.813394
where:
bonds (distance) C4'-P energy: -136.783
bonds (distance) P-C4' energy: -125.195
flat angles C4'-P-C4' energy: -158.720
flat angles P-C4'-P energy: -99.449
tors. eta vs tors. theta energy: -185.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2196.438075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.438075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.438075 (E_RNA)
where:
Base-Base interactions energy: -1506.921
where: short stacking energy: -637.339
Base-Backbone interact. energy: -2.055
local terms energy: -687.461328
where:
bonds (distance) C4'-P energy: -125.204
bonds (distance) P-C4' energy: -127.275
flat angles C4'-P-C4' energy: -150.276
flat angles P-C4'-P energy: -96.336
tors. eta vs tors. theta energy: -188.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1963.408456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.408456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.408456 (E_RNA)
where:
Base-Base interactions energy: -1365.255
where: short stacking energy: -596.090
Base-Backbone interact. energy: 0.979
local terms energy: -599.132996
where:
bonds (distance) C4'-P energy: -113.678
bonds (distance) P-C4' energy: -110.587
flat angles C4'-P-C4' energy: -144.764
flat angles P-C4'-P energy: -70.021
tors. eta vs tors. theta energy: -160.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1726.144361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.144361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.144361 (E_RNA)
where:
Base-Base interactions energy: -1161.432
where: short stacking energy: -513.805
Base-Backbone interact. energy: -0.923
local terms energy: -563.790031
where:
bonds (distance) C4'-P energy: -112.366
bonds (distance) P-C4' energy: -121.614
flat angles C4'-P-C4' energy: -146.595
flat angles P-C4'-P energy: -64.756
tors. eta vs tors. theta energy: -118.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1322.359256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.359256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.359256 (E_RNA)
where:
Base-Base interactions energy: -818.149
where: short stacking energy: -405.482
Base-Backbone interact. energy: -3.769
local terms energy: -500.441171
where:
bonds (distance) C4'-P energy: -126.030
bonds (distance) P-C4' energy: -107.690
flat angles C4'-P-C4' energy: -117.924
flat angles P-C4'-P energy: -75.218
tors. eta vs tors. theta energy: -73.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1115.181245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.181245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.181245 (E_RNA)
where:
Base-Base interactions energy: -683.037
where: short stacking energy: -334.346
Base-Backbone interact. energy: -2.308
local terms energy: -429.836130
where:
bonds (distance) C4'-P energy: -97.531
bonds (distance) P-C4' energy: -104.645
flat angles C4'-P-C4' energy: -117.551
flat angles P-C4'-P energy: -61.375
tors. eta vs tors. theta energy: -48.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -826.126708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.126708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.126708 (E_RNA)
where:
Base-Base interactions energy: -433.972
where: short stacking energy: -233.320
Base-Backbone interact. energy: -0.960
local terms energy: -391.194292
where:
bonds (distance) C4'-P energy: -108.020
bonds (distance) P-C4' energy: -117.835
flat angles C4'-P-C4' energy: -94.879
flat angles P-C4'-P energy: -64.455
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2531.119299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.119299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.119299 (E_RNA)
where:
Base-Base interactions energy: -1703.461
where: short stacking energy: -752.376
Base-Backbone interact. energy: -0.649
local terms energy: -827.009275
where:
bonds (distance) C4'-P energy: -156.205
bonds (distance) P-C4' energy: -147.132
flat angles C4'-P-C4' energy: -170.880
flat angles P-C4'-P energy: -116.934
tors. eta vs tors. theta energy: -235.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2483.064550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.064550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.064550 (E_RNA)
where:
Base-Base interactions energy: -1740.891
where: short stacking energy: -735.844
Base-Backbone interact. energy: 1.209
local terms energy: -743.382942
where:
bonds (distance) C4'-P energy: -128.204
bonds (distance) P-C4' energy: -146.823
flat angles C4'-P-C4' energy: -159.109
flat angles P-C4'-P energy: -106.548
tors. eta vs tors. theta energy: -202.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2378.627981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.627981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.627981 (E_RNA)
where:
Base-Base interactions energy: -1662.474
where: short stacking energy: -697.560
Base-Backbone interact. energy: -4.478
local terms energy: -711.676306
where:
bonds (distance) C4'-P energy: -129.190
bonds (distance) P-C4' energy: -139.479
flat angles C4'-P-C4' energy: -162.882
flat angles P-C4'-P energy: -86.786
tors. eta vs tors. theta energy: -193.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2273.202066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.202066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.202066 (E_RNA)
where:
Base-Base interactions energy: -1577.951
where: short stacking energy: -627.385
Base-Backbone interact. energy: 0.056
local terms energy: -695.307340
where:
bonds (distance) C4'-P energy: -132.095
bonds (distance) P-C4' energy: -134.034
flat angles C4'-P-C4' energy: -147.069
flat angles P-C4'-P energy: -107.969
tors. eta vs tors. theta energy: -174.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2232.599116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.599116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.599116 (E_RNA)
where:
Base-Base interactions energy: -1527.941
where: short stacking energy: -681.888
Base-Backbone interact. energy: -1.032
local terms energy: -703.626034
where:
bonds (distance) C4'-P energy: -118.089
bonds (distance) P-C4' energy: -122.834
flat angles C4'-P-C4' energy: -162.794
flat angles P-C4'-P energy: -101.377
tors. eta vs tors. theta energy: -198.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1976.821456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.821456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.821456 (E_RNA)
where:
Base-Base interactions energy: -1348.942
where: short stacking energy: -582.960
Base-Backbone interact. energy: -2.567
local terms energy: -625.313020
where:
bonds (distance) C4'-P energy: -134.877
bonds (distance) P-C4' energy: -109.986
flat angles C4'-P-C4' energy: -145.582
flat angles P-C4'-P energy: -91.025
tors. eta vs tors. theta energy: -143.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1713.026583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.026583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.026583 (E_RNA)
where:
Base-Base interactions energy: -1164.095
where: short stacking energy: -497.721
Base-Backbone interact. energy: 1.232
local terms energy: -550.163233
where:
bonds (distance) C4'-P energy: -120.443
bonds (distance) P-C4' energy: -115.461
flat angles C4'-P-C4' energy: -128.558
flat angles P-C4'-P energy: -69.907
tors. eta vs tors. theta energy: -115.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1303.350943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.350943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.350943 (E_RNA)
where:
Base-Base interactions energy: -787.271
where: short stacking energy: -400.839
Base-Backbone interact. energy: -2.010
local terms energy: -514.069220
where:
bonds (distance) C4'-P energy: -116.411
bonds (distance) P-C4' energy: -117.692
flat angles C4'-P-C4' energy: -127.392
flat angles P-C4'-P energy: -78.425
tors. eta vs tors. theta energy: -74.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1071.675926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.675926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.675926 (E_RNA)
where:
Base-Base interactions energy: -631.786
where: short stacking energy: -313.054
Base-Backbone interact. energy: 0.731
local terms energy: -440.621006
where:
bonds (distance) C4'-P energy: -113.478
bonds (distance) P-C4' energy: -112.654
flat angles C4'-P-C4' energy: -117.723
flat angles P-C4'-P energy: -62.168
tors. eta vs tors. theta energy: -34.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -862.337180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.337180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.337180 (E_RNA)
where:
Base-Base interactions energy: -444.844
where: short stacking energy: -232.262
Base-Backbone interact. energy: 0.933
local terms energy: -418.425654
where:
bonds (distance) C4'-P energy: -135.311
bonds (distance) P-C4' energy: -116.746
flat angles C4'-P-C4' energy: -98.822
flat angles P-C4'-P energy: -72.934
tors. eta vs tors. theta energy: 5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2573.311096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.311096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.311096 (E_RNA)
where:
Base-Base interactions energy: -1751.664
where: short stacking energy: -795.417
Base-Backbone interact. energy: -2.457
local terms energy: -819.190136
where:
bonds (distance) C4'-P energy: -155.708
bonds (distance) P-C4' energy: -143.141
flat angles C4'-P-C4' energy: -167.992
flat angles P-C4'-P energy: -111.430
tors. eta vs tors. theta energy: -240.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2469.661707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.661707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.661707 (E_RNA)
where:
Base-Base interactions energy: -1715.701
where: short stacking energy: -728.018
Base-Backbone interact. energy: 0.162
local terms energy: -754.123109
where:
bonds (distance) C4'-P energy: -139.846
bonds (distance) P-C4' energy: -149.757
flat angles C4'-P-C4' energy: -165.752
flat angles P-C4'-P energy: -104.789
tors. eta vs tors. theta energy: -193.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2388.542240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.542240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.542240 (E_RNA)
where:
Base-Base interactions energy: -1628.846
where: short stacking energy: -679.728
Base-Backbone interact. energy: -5.162
local terms energy: -754.534149
where:
bonds (distance) C4'-P energy: -120.743
bonds (distance) P-C4' energy: -139.983
flat angles C4'-P-C4' energy: -161.276
flat angles P-C4'-P energy: -119.763
tors. eta vs tors. theta energy: -212.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2232.999992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.999992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.999992 (E_RNA)
where:
Base-Base interactions energy: -1540.524
where: short stacking energy: -631.516
Base-Backbone interact. energy: 1.287
local terms energy: -693.762328
where:
bonds (distance) C4'-P energy: -133.388
bonds (distance) P-C4' energy: -131.272
flat angles C4'-P-C4' energy: -156.574
flat angles P-C4'-P energy: -98.762
tors. eta vs tors. theta energy: -173.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2229.810983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.810983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.810983 (E_RNA)
where:
Base-Base interactions energy: -1532.800
where: short stacking energy: -659.749
Base-Backbone interact. energy: 1.061
local terms energy: -698.071629
where:
bonds (distance) C4'-P energy: -115.438
bonds (distance) P-C4' energy: -135.329
flat angles C4'-P-C4' energy: -157.185
flat angles P-C4'-P energy: -98.053
tors. eta vs tors. theta energy: -192.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2003.669698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.669698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.669698 (E_RNA)
where:
Base-Base interactions energy: -1372.107
where: short stacking energy: -604.260
Base-Backbone interact. energy: 0.873
local terms energy: -632.435677
where:
bonds (distance) C4'-P energy: -117.741
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -143.739
flat angles P-C4'-P energy: -99.675
tors. eta vs tors. theta energy: -154.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1666.635408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.635408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.635408 (E_RNA)
where:
Base-Base interactions energy: -1102.389
where: short stacking energy: -493.700
Base-Backbone interact. energy: 1.290
local terms energy: -565.536868
where:
bonds (distance) C4'-P energy: -113.685
bonds (distance) P-C4' energy: -110.152
flat angles C4'-P-C4' energy: -130.756
flat angles P-C4'-P energy: -81.350
tors. eta vs tors. theta energy: -129.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1311.682194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.682194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.682194 (E_RNA)
where:
Base-Base interactions energy: -801.463
where: short stacking energy: -408.883
Base-Backbone interact. energy: -4.146
local terms energy: -506.073593
where:
bonds (distance) C4'-P energy: -121.092
bonds (distance) P-C4' energy: -122.885
flat angles C4'-P-C4' energy: -119.604
flat angles P-C4'-P energy: -73.841
tors. eta vs tors. theta energy: -68.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1014.643439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.643439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.643439 (E_RNA)
where:
Base-Base interactions energy: -560.684
where: short stacking energy: -261.917
Base-Backbone interact. energy: -2.469
local terms energy: -451.490813
where:
bonds (distance) C4'-P energy: -114.837
bonds (distance) P-C4' energy: -126.924
flat angles C4'-P-C4' energy: -123.001
flat angles P-C4'-P energy: -56.941
tors. eta vs tors. theta energy: -29.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -836.057280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.057280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.057280 (E_RNA)
where:
Base-Base interactions energy: -435.053
where: short stacking energy: -242.081
Base-Backbone interact. energy: 6.648
local terms energy: -407.652680
where:
bonds (distance) C4'-P energy: -104.927
bonds (distance) P-C4' energy: -137.234
flat angles C4'-P-C4' energy: -110.313
flat angles P-C4'-P energy: -58.288
tors. eta vs tors. theta energy: 3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2546.023825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.023825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.023825 (E_RNA)
where:
Base-Base interactions energy: -1723.610
where: short stacking energy: -771.527
Base-Backbone interact. energy: -2.876
local terms energy: -819.537128
where:
bonds (distance) C4'-P energy: -159.012
bonds (distance) P-C4' energy: -146.821
flat angles C4'-P-C4' energy: -169.682
flat angles P-C4'-P energy: -106.752
tors. eta vs tors. theta energy: -237.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2498.289789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.289789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.289789 (E_RNA)
where:
Base-Base interactions energy: -1727.759
where: short stacking energy: -736.448
Base-Backbone interact. energy: -1.928
local terms energy: -768.602992
where:
bonds (distance) C4'-P energy: -138.974
bonds (distance) P-C4' energy: -152.957
flat angles C4'-P-C4' energy: -153.309
flat angles P-C4'-P energy: -114.314
tors. eta vs tors. theta energy: -209.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2444.203844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.203844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.203844 (E_RNA)
where:
Base-Base interactions energy: -1713.008
where: short stacking energy: -747.579
Base-Backbone interact. energy: -1.837
local terms energy: -729.358844
where:
bonds (distance) C4'-P energy: -125.730
bonds (distance) P-C4' energy: -130.559
flat angles C4'-P-C4' energy: -161.545
flat angles P-C4'-P energy: -101.976
tors. eta vs tors. theta energy: -209.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2202.839636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.839636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.839636 (E_RNA)
where:
Base-Base interactions energy: -1469.045
where: short stacking energy: -666.506
Base-Backbone interact. energy: -3.426
local terms energy: -730.368243
where:
bonds (distance) C4'-P energy: -132.955
bonds (distance) P-C4' energy: -135.698
flat angles C4'-P-C4' energy: -147.948
flat angles P-C4'-P energy: -107.223
tors. eta vs tors. theta energy: -206.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -2219.420659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.420659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.420659 (E_RNA)
where:
Base-Base interactions energy: -1523.857
where: short stacking energy: -651.099
Base-Backbone interact. energy: -1.127
local terms energy: -694.436657
where:
bonds (distance) C4'-P energy: -138.334
bonds (distance) P-C4' energy: -127.700
flat angles C4'-P-C4' energy: -154.412
flat angles P-C4'-P energy: -87.282
tors. eta vs tors. theta energy: -186.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1961.190797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.190797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.190797 (E_RNA)
where:
Base-Base interactions energy: -1313.720
where: short stacking energy: -566.263
Base-Backbone interact. energy: 3.053
local terms energy: -650.523610
where:
bonds (distance) C4'-P energy: -137.173
bonds (distance) P-C4' energy: -130.172
flat angles C4'-P-C4' energy: -152.973
flat angles P-C4'-P energy: -88.369
tors. eta vs tors. theta energy: -141.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1662.832954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.832954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.832954 (E_RNA)
where:
Base-Base interactions energy: -1090.532
where: short stacking energy: -478.340
Base-Backbone interact. energy: 4.690
local terms energy: -576.989990
where:
bonds (distance) C4'-P energy: -95.647
bonds (distance) P-C4' energy: -134.469
flat angles C4'-P-C4' energy: -140.630
flat angles P-C4'-P energy: -88.218
tors. eta vs tors. theta energy: -118.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1289.806895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.806895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.806895 (E_RNA)
where:
Base-Base interactions energy: -807.334
where: short stacking energy: -392.122
Base-Backbone interact. energy: -0.475
local terms energy: -481.997942
where:
bonds (distance) C4'-P energy: -117.051
bonds (distance) P-C4' energy: -119.221
flat angles C4'-P-C4' energy: -99.634
flat angles P-C4'-P energy: -64.926
tors. eta vs tors. theta energy: -81.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1035.770937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.770937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.770937 (E_RNA)
where:
Base-Base interactions energy: -568.072
where: short stacking energy: -296.602
Base-Backbone interact. energy: -0.989
local terms energy: -466.710559
where:
bonds (distance) C4'-P energy: -105.282
bonds (distance) P-C4' energy: -137.574
flat angles C4'-P-C4' energy: -127.792
flat angles P-C4'-P energy: -76.986
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -820.024993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.024993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.024993 (E_RNA)
where:
Base-Base interactions energy: -420.458
where: short stacking energy: -245.329
Base-Backbone interact. energy: -1.800
local terms energy: -397.766748
where:
bonds (distance) C4'-P energy: -107.603
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -105.448
flat angles P-C4'-P energy: -62.059
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2527.428071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.428071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.428071 (E_RNA)
where:
Base-Base interactions energy: -1715.453
where: short stacking energy: -763.067
Base-Backbone interact. energy: -2.551
local terms energy: -809.423708
where:
bonds (distance) C4'-P energy: -144.352
bonds (distance) P-C4' energy: -140.962
flat angles C4'-P-C4' energy: -168.247
flat angles P-C4'-P energy: -114.037
tors. eta vs tors. theta energy: -241.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2499.753550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.753550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.753550 (E_RNA)
where:
Base-Base interactions energy: -1747.734
where: short stacking energy: -731.659
Base-Backbone interact. energy: 4.534
local terms energy: -756.553681
where:
bonds (distance) C4'-P energy: -138.258
bonds (distance) P-C4' energy: -147.081
flat angles C4'-P-C4' energy: -163.977
flat angles P-C4'-P energy: -104.187
tors. eta vs tors. theta energy: -203.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2435.474003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.474003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.474003 (E_RNA)
where:
Base-Base interactions energy: -1681.876
where: short stacking energy: -719.182
Base-Backbone interact. energy: -1.903
local terms energy: -751.694671
where:
bonds (distance) C4'-P energy: -135.594
bonds (distance) P-C4' energy: -140.078
flat angles C4'-P-C4' energy: -156.235
flat angles P-C4'-P energy: -111.098
tors. eta vs tors. theta energy: -208.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2175.491949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.491949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.491949 (E_RNA)
where:
Base-Base interactions energy: -1448.580
where: short stacking energy: -646.700
Base-Backbone interact. energy: -2.794
local terms energy: -724.117840
where:
bonds (distance) C4'-P energy: -137.106
bonds (distance) P-C4' energy: -146.934
flat angles C4'-P-C4' energy: -154.251
flat angles P-C4'-P energy: -98.593
tors. eta vs tors. theta energy: -187.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2241.164589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.164589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.164589 (E_RNA)
where:
Base-Base interactions energy: -1538.230
where: short stacking energy: -677.396
Base-Backbone interact. energy: -4.619
local terms energy: -698.316188
where:
bonds (distance) C4'-P energy: -137.295
bonds (distance) P-C4' energy: -119.771
flat angles C4'-P-C4' energy: -153.351
flat angles P-C4'-P energy: -93.919
tors. eta vs tors. theta energy: -193.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1958.642386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.642386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.642386 (E_RNA)
where:
Base-Base interactions energy: -1344.497
where: short stacking energy: -571.792
Base-Backbone interact. energy: -2.913
local terms energy: -611.232953
where:
bonds (distance) C4'-P energy: -123.645
bonds (distance) P-C4' energy: -115.208
flat angles C4'-P-C4' energy: -143.995
flat angles P-C4'-P energy: -76.738
tors. eta vs tors. theta energy: -151.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1644.878905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.878905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.878905 (E_RNA)
where:
Base-Base interactions energy: -1121.538
where: short stacking energy: -490.439
Base-Backbone interact. energy: 1.124
local terms energy: -524.464901
where:
bonds (distance) C4'-P energy: -90.374
bonds (distance) P-C4' energy: -108.594
flat angles C4'-P-C4' energy: -141.788
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -112.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1304.746628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.746628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.746628 (E_RNA)
where:
Base-Base interactions energy: -789.936
where: short stacking energy: -362.851
Base-Backbone interact. energy: 3.331
local terms energy: -518.141724
where:
bonds (distance) C4'-P energy: -129.644
bonds (distance) P-C4' energy: -102.659
flat angles C4'-P-C4' energy: -128.112
flat angles P-C4'-P energy: -80.716
tors. eta vs tors. theta energy: -77.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1004.838012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.838012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.838012 (E_RNA)
where:
Base-Base interactions energy: -588.910
where: short stacking energy: -291.104
Base-Backbone interact. energy: -0.441
local terms energy: -415.486969
where:
bonds (distance) C4'-P energy: -109.085
bonds (distance) P-C4' energy: -117.236
flat angles C4'-P-C4' energy: -92.667
flat angles P-C4'-P energy: -71.131
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -852.743994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.743994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.743994 (E_RNA)
where:
Base-Base interactions energy: -446.904
where: short stacking energy: -234.108
Base-Backbone interact. energy: -0.146
local terms energy: -405.694066
where:
bonds (distance) C4'-P energy: -126.464
bonds (distance) P-C4' energy: -135.642
flat angles C4'-P-C4' energy: -87.887
flat angles P-C4'-P energy: -49.758
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2532.897806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.897806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.897806 (E_RNA)
where:
Base-Base interactions energy: -1749.725
where: short stacking energy: -764.475
Base-Backbone interact. energy: -4.596
local terms energy: -778.576838
where:
bonds (distance) C4'-P energy: -143.218
bonds (distance) P-C4' energy: -146.468
flat angles C4'-P-C4' energy: -165.724
flat angles P-C4'-P energy: -96.785
tors. eta vs tors. theta energy: -226.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2485.181329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.181329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.181329 (E_RNA)
where:
Base-Base interactions energy: -1706.024
where: short stacking energy: -745.188
Base-Backbone interact. energy: -1.576
local terms energy: -777.581509
where:
bonds (distance) C4'-P energy: -137.341
bonds (distance) P-C4' energy: -143.232
flat angles C4'-P-C4' energy: -162.548
flat angles P-C4'-P energy: -118.098
tors. eta vs tors. theta energy: -216.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2381.084452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.084452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.084452 (E_RNA)
where:
Base-Base interactions energy: -1628.848
where: short stacking energy: -711.239
Base-Backbone interact. energy: -3.396
local terms energy: -748.840238
where:
bonds (distance) C4'-P energy: -142.871
bonds (distance) P-C4' energy: -127.720
flat angles C4'-P-C4' energy: -161.789
flat angles P-C4'-P energy: -106.366
tors. eta vs tors. theta energy: -210.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2286.019664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.019664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.019664 (E_RNA)
where:
Base-Base interactions energy: -1548.608
where: short stacking energy: -706.973
Base-Backbone interact. energy: -1.321
local terms energy: -736.090790
where:
bonds (distance) C4'-P energy: -138.585
bonds (distance) P-C4' energy: -142.480
flat angles C4'-P-C4' energy: -146.633
flat angles P-C4'-P energy: -101.951
tors. eta vs tors. theta energy: -206.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2117.629734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.629734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.629734 (E_RNA)
where:
Base-Base interactions energy: -1422.961
where: short stacking energy: -619.526
Base-Backbone interact. energy: -1.772
local terms energy: -692.896181
where:
bonds (distance) C4'-P energy: -119.471
bonds (distance) P-C4' energy: -146.993
flat angles C4'-P-C4' energy: -146.306
flat angles P-C4'-P energy: -90.290
tors. eta vs tors. theta energy: -189.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2012.848829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.848829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.848829 (E_RNA)
where:
Base-Base interactions energy: -1363.360
where: short stacking energy: -593.147
Base-Backbone interact. energy: -0.463
local terms energy: -649.025734
where:
bonds (distance) C4'-P energy: -119.728
bonds (distance) P-C4' energy: -124.149
flat angles C4'-P-C4' energy: -145.748
flat angles P-C4'-P energy: -107.085
tors. eta vs tors. theta energy: -152.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1650.256778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.256778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.256778 (E_RNA)
where:
Base-Base interactions energy: -1068.622
where: short stacking energy: -474.672
Base-Backbone interact. energy: -0.897
local terms energy: -580.737526
where:
bonds (distance) C4'-P energy: -130.609
bonds (distance) P-C4' energy: -122.760
flat angles C4'-P-C4' energy: -139.833
flat angles P-C4'-P energy: -82.557
tors. eta vs tors. theta energy: -104.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1332.338329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.338329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.338329 (E_RNA)
where:
Base-Base interactions energy: -829.300
where: short stacking energy: -372.071
Base-Backbone interact. energy: 2.312
local terms energy: -505.350196
where:
bonds (distance) C4'-P energy: -113.914
bonds (distance) P-C4' energy: -127.349
flat angles C4'-P-C4' energy: -120.623
flat angles P-C4'-P energy: -76.932
tors. eta vs tors. theta energy: -66.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1118.953633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.953633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.953633 (E_RNA)
where:
Base-Base interactions energy: -664.588
where: short stacking energy: -323.002
Base-Backbone interact. energy: 0.454
local terms energy: -454.819687
where:
bonds (distance) C4'-P energy: -112.228
bonds (distance) P-C4' energy: -127.894
flat angles C4'-P-C4' energy: -124.670
flat angles P-C4'-P energy: -49.574
tors. eta vs tors. theta energy: -40.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -886.428703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.428703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.428703 (E_RNA)
where:
Base-Base interactions energy: -502.774
where: short stacking energy: -257.169
Base-Backbone interact. energy: -0.943
local terms energy: -382.711753
where:
bonds (distance) C4'-P energy: -86.274
bonds (distance) P-C4' energy: -111.150
flat angles C4'-P-C4' energy: -98.599
flat angles P-C4'-P energy: -73.701
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2540.713645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.713645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.713645 (E_RNA)
where:
Base-Base interactions energy: -1722.996
where: short stacking energy: -766.048
Base-Backbone interact. energy: -1.564
local terms energy: -816.153831
where:
bonds (distance) C4'-P energy: -135.550
bonds (distance) P-C4' energy: -165.352
flat angles C4'-P-C4' energy: -168.832
flat angles P-C4'-P energy: -124.182
tors. eta vs tors. theta energy: -222.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2493.018046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.018046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.018046 (E_RNA)
where:
Base-Base interactions energy: -1733.616
where: short stacking energy: -730.515
Base-Backbone interact. energy: 0.849
local terms energy: -760.250392
where:
bonds (distance) C4'-P energy: -132.776
bonds (distance) P-C4' energy: -147.254
flat angles C4'-P-C4' energy: -166.990
flat angles P-C4'-P energy: -102.807
tors. eta vs tors. theta energy: -210.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2374.050977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.050977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.050977 (E_RNA)
where:
Base-Base interactions energy: -1640.200
where: short stacking energy: -711.244
Base-Backbone interact. energy: -2.518
local terms energy: -731.333803
where:
bonds (distance) C4'-P energy: -127.132
bonds (distance) P-C4' energy: -144.697
flat angles C4'-P-C4' energy: -162.927
flat angles P-C4'-P energy: -102.255
tors. eta vs tors. theta energy: -194.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2338.562054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.562054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.562054 (E_RNA)
where:
Base-Base interactions energy: -1568.347
where: short stacking energy: -697.801
Base-Backbone interact. energy: -4.484
local terms energy: -765.730646
where:
bonds (distance) C4'-P energy: -138.445
bonds (distance) P-C4' energy: -141.947
flat angles C4'-P-C4' energy: -153.729
flat angles P-C4'-P energy: -111.902
tors. eta vs tors. theta energy: -219.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2112.126522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.126522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.126522 (E_RNA)
where:
Base-Base interactions energy: -1440.980
where: short stacking energy: -625.723
Base-Backbone interact. energy: -2.409
local terms energy: -668.737122
where:
bonds (distance) C4'-P energy: -106.129
bonds (distance) P-C4' energy: -139.631
flat angles C4'-P-C4' energy: -143.195
flat angles P-C4'-P energy: -101.658
tors. eta vs tors. theta energy: -178.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2005.473267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.473267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.473267 (E_RNA)
where:
Base-Base interactions energy: -1353.790
where: short stacking energy: -559.282
Base-Backbone interact. energy: -2.944
local terms energy: -648.739583
where:
bonds (distance) C4'-P energy: -138.050
bonds (distance) P-C4' energy: -139.789
flat angles C4'-P-C4' energy: -128.706
flat angles P-C4'-P energy: -96.054
tors. eta vs tors. theta energy: -146.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1599.458035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.458035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.458035 (E_RNA)
where:
Base-Base interactions energy: -1035.686
where: short stacking energy: -474.292
Base-Backbone interact. energy: -1.293
local terms energy: -562.479149
where:
bonds (distance) C4'-P energy: -111.653
bonds (distance) P-C4' energy: -124.160
flat angles C4'-P-C4' energy: -131.545
flat angles P-C4'-P energy: -92.252
tors. eta vs tors. theta energy: -102.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1198.579850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.579850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.579850 (E_RNA)
where:
Base-Base interactions energy: -720.512
where: short stacking energy: -335.801
Base-Backbone interact. energy: 1.179
local terms energy: -479.246857
where:
bonds (distance) C4'-P energy: -139.107
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -118.376
flat angles P-C4'-P energy: -59.311
tors. eta vs tors. theta energy: -43.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1085.919852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.919852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.919852 (E_RNA)
where:
Base-Base interactions energy: -640.258
where: short stacking energy: -308.373
Base-Backbone interact. energy: -1.676
local terms energy: -443.986655
where:
bonds (distance) C4'-P energy: -112.452
bonds (distance) P-C4' energy: -114.118
flat angles C4'-P-C4' energy: -116.018
flat angles P-C4'-P energy: -75.760
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -908.756315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.756315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.756315 (E_RNA)
where:
Base-Base interactions energy: -515.959
where: short stacking energy: -259.918
Base-Backbone interact. energy: 0.576
local terms energy: -393.373008
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -110.181
flat angles C4'-P-C4' energy: -93.653
flat angles P-C4'-P energy: -61.644
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2549.602695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.602695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.602695 (E_RNA)
where:
Base-Base interactions energy: -1735.588
where: short stacking energy: -790.745
Base-Backbone interact. energy: -1.815
local terms energy: -812.200000
where:
bonds (distance) C4'-P energy: -147.236
bonds (distance) P-C4' energy: -147.666
flat angles C4'-P-C4' energy: -161.848
flat angles P-C4'-P energy: -120.772
tors. eta vs tors. theta energy: -234.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2448.865933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.865933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.865933 (E_RNA)
where:
Base-Base interactions energy: -1712.505
where: short stacking energy: -720.570
Base-Backbone interact. energy: 0.475
local terms energy: -736.835512
where:
bonds (distance) C4'-P energy: -150.315
bonds (distance) P-C4' energy: -131.325
flat angles C4'-P-C4' energy: -170.104
flat angles P-C4'-P energy: -90.511
tors. eta vs tors. theta energy: -194.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2332.870396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.870396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.870396 (E_RNA)
where:
Base-Base interactions energy: -1594.088
where: short stacking energy: -697.873
Base-Backbone interact. energy: -1.548
local terms energy: -737.233810
where:
bonds (distance) C4'-P energy: -128.600
bonds (distance) P-C4' energy: -130.898
flat angles C4'-P-C4' energy: -157.009
flat angles P-C4'-P energy: -110.707
tors. eta vs tors. theta energy: -210.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2324.108556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.108556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.108556 (E_RNA)
where:
Base-Base interactions energy: -1588.242
where: short stacking energy: -688.497
Base-Backbone interact. energy: -3.051
local terms energy: -732.815905
where:
bonds (distance) C4'-P energy: -131.502
bonds (distance) P-C4' energy: -124.539
flat angles C4'-P-C4' energy: -147.204
flat angles P-C4'-P energy: -111.181
tors. eta vs tors. theta energy: -218.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2098.093291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.093291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.093291 (E_RNA)
where:
Base-Base interactions energy: -1442.644
where: short stacking energy: -621.130
Base-Backbone interact. energy: -1.545
local terms energy: -653.903367
where:
bonds (distance) C4'-P energy: -127.279
bonds (distance) P-C4' energy: -100.149
flat angles C4'-P-C4' energy: -142.815
flat angles P-C4'-P energy: -97.933
tors. eta vs tors. theta energy: -185.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1973.929673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.929673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.929673 (E_RNA)
where:
Base-Base interactions energy: -1312.908
where: short stacking energy: -600.678
Base-Backbone interact. energy: -4.120
local terms energy: -656.901469
where:
bonds (distance) C4'-P energy: -121.055
bonds (distance) P-C4' energy: -123.182
flat angles C4'-P-C4' energy: -157.704
flat angles P-C4'-P energy: -91.580
tors. eta vs tors. theta energy: -163.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1638.490539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.490539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.490539 (E_RNA)
where:
Base-Base interactions energy: -1076.022
where: short stacking energy: -527.450
Base-Backbone interact. energy: 0.702
local terms energy: -563.170475
where:
bonds (distance) C4'-P energy: -119.391
bonds (distance) P-C4' energy: -108.291
flat angles C4'-P-C4' energy: -121.592
flat angles P-C4'-P energy: -84.144
tors. eta vs tors. theta energy: -129.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1266.266798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.266798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.266798 (E_RNA)
where:
Base-Base interactions energy: -785.015
where: short stacking energy: -421.990
Base-Backbone interact. energy: -0.515
local terms energy: -480.737652
where:
bonds (distance) C4'-P energy: -97.143
bonds (distance) P-C4' energy: -109.191
flat angles C4'-P-C4' energy: -125.630
flat angles P-C4'-P energy: -63.647
tors. eta vs tors. theta energy: -85.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1050.134768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.134768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.134768 (E_RNA)
where:
Base-Base interactions energy: -614.377
where: short stacking energy: -265.290
Base-Backbone interact. energy: -1.150
local terms energy: -434.607532
where:
bonds (distance) C4'-P energy: -117.356
bonds (distance) P-C4' energy: -128.153
flat angles C4'-P-C4' energy: -101.272
flat angles P-C4'-P energy: -54.239
tors. eta vs tors. theta energy: -33.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1019.233954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.233954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.233954 (E_RNA)
where:
Base-Base interactions energy: -554.797
where: short stacking energy: -303.846
Base-Backbone interact. energy: 0.011
local terms energy: -464.447942
where:
bonds (distance) C4'-P energy: -128.045
bonds (distance) P-C4' energy: -103.330
flat angles C4'-P-C4' energy: -116.576
flat angles P-C4'-P energy: -72.646
tors. eta vs tors. theta energy: -43.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2529.774713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.774713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.774713 (E_RNA)
where:
Base-Base interactions energy: -1681.106
where: short stacking energy: -741.540
Base-Backbone interact. energy: -2.513
local terms energy: -846.155717
where:
bonds (distance) C4'-P energy: -163.732
bonds (distance) P-C4' energy: -156.060
flat angles C4'-P-C4' energy: -180.761
flat angles P-C4'-P energy: -112.161
tors. eta vs tors. theta energy: -233.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2446.433056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.433056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.433056 (E_RNA)
where:
Base-Base interactions energy: -1710.121
where: short stacking energy: -725.700
Base-Backbone interact. energy: 0.727
local terms energy: -737.039324
where:
bonds (distance) C4'-P energy: -116.631
bonds (distance) P-C4' energy: -152.722
flat angles C4'-P-C4' energy: -154.713
flat angles P-C4'-P energy: -110.784
tors. eta vs tors. theta energy: -202.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2340.231185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.231185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.231185 (E_RNA)
where:
Base-Base interactions energy: -1585.678
where: short stacking energy: -700.723
Base-Backbone interact. energy: -2.815
local terms energy: -751.738118
where:
bonds (distance) C4'-P energy: -137.727
bonds (distance) P-C4' energy: -135.092
flat angles C4'-P-C4' energy: -162.707
flat angles P-C4'-P energy: -115.468
tors. eta vs tors. theta energy: -200.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2288.356298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.356298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.356298 (E_RNA)
where:
Base-Base interactions energy: -1573.345
where: short stacking energy: -680.127
Base-Backbone interact. energy: -1.435
local terms energy: -713.576676
where:
bonds (distance) C4'-P energy: -122.464
bonds (distance) P-C4' energy: -138.002
flat angles C4'-P-C4' energy: -147.936
flat angles P-C4'-P energy: -108.045
tors. eta vs tors. theta energy: -197.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2133.994485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.994485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.994485 (E_RNA)
where:
Base-Base interactions energy: -1466.146
where: short stacking energy: -623.566
Base-Backbone interact. energy: -3.403
local terms energy: -664.446231
where:
bonds (distance) C4'-P energy: -125.340
bonds (distance) P-C4' energy: -130.082
flat angles C4'-P-C4' energy: -149.034
flat angles P-C4'-P energy: -87.535
tors. eta vs tors. theta energy: -172.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1985.467896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.467896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.467896 (E_RNA)
where:
Base-Base interactions energy: -1366.377
where: short stacking energy: -577.832
Base-Backbone interact. energy: -2.169
local terms energy: -616.921491
where:
bonds (distance) C4'-P energy: -125.973
bonds (distance) P-C4' energy: -127.445
flat angles C4'-P-C4' energy: -135.908
flat angles P-C4'-P energy: -83.448
tors. eta vs tors. theta energy: -144.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1581.733130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.733130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.733130 (E_RNA)
where:
Base-Base interactions energy: -1044.366
where: short stacking energy: -481.781
Base-Backbone interact. energy: -3.942
local terms energy: -533.424619
where:
bonds (distance) C4'-P energy: -129.786
bonds (distance) P-C4' energy: -120.505
flat angles C4'-P-C4' energy: -120.410
flat angles P-C4'-P energy: -70.226
tors. eta vs tors. theta energy: -92.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1301.371410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.371410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.371410 (E_RNA)
where:
Base-Base interactions energy: -822.735
where: short stacking energy: -399.224
Base-Backbone interact. energy: 0.121
local terms energy: -478.756878
where:
bonds (distance) C4'-P energy: -126.890
bonds (distance) P-C4' energy: -105.303
flat angles C4'-P-C4' energy: -117.568
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: -73.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -973.558154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.558154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.558154 (E_RNA)
where:
Base-Base interactions energy: -579.532
where: short stacking energy: -286.799
Base-Backbone interact. energy: 10.807
local terms energy: -404.832968
where:
bonds (distance) C4'-P energy: -105.229
bonds (distance) P-C4' energy: -123.259
flat angles C4'-P-C4' energy: -117.595
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -988.128541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.128541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.128541 (E_RNA)
where:
Base-Base interactions energy: -528.969
where: short stacking energy: -249.190
Base-Backbone interact. energy: -1.019
local terms energy: -458.140704
where:
bonds (distance) C4'-P energy: -118.285
bonds (distance) P-C4' energy: -132.549
flat angles C4'-P-C4' energy: -119.958
flat angles P-C4'-P energy: -62.790
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2519.789329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.789329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.789329 (E_RNA)
where:
Base-Base interactions energy: -1717.979
where: short stacking energy: -777.913
Base-Backbone interact. energy: -2.926
local terms energy: -798.884218
where:
bonds (distance) C4'-P energy: -160.204
bonds (distance) P-C4' energy: -138.863
flat angles C4'-P-C4' energy: -166.395
flat angles P-C4'-P energy: -105.193
tors. eta vs tors. theta energy: -228.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2464.442348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.442348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.442348 (E_RNA)
where:
Base-Base interactions energy: -1701.690
where: short stacking energy: -720.646
Base-Backbone interact. energy: -4.197
local terms energy: -758.555475
where:
bonds (distance) C4'-P energy: -128.504
bonds (distance) P-C4' energy: -143.615
flat angles C4'-P-C4' energy: -167.848
flat angles P-C4'-P energy: -110.501
tors. eta vs tors. theta energy: -208.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2415.263523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.263523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.263523 (E_RNA)
where:
Base-Base interactions energy: -1677.020
where: short stacking energy: -742.076
Base-Backbone interact. energy: -1.560
local terms energy: -736.682817
where:
bonds (distance) C4'-P energy: -123.940
bonds (distance) P-C4' energy: -138.558
flat angles C4'-P-C4' energy: -163.535
flat angles P-C4'-P energy: -97.899
tors. eta vs tors. theta energy: -212.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2314.434908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.434908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.434908 (E_RNA)
where:
Base-Base interactions energy: -1578.044
where: short stacking energy: -695.359
Base-Backbone interact. energy: -2.296
local terms energy: -734.094852
where:
bonds (distance) C4'-P energy: -125.773
bonds (distance) P-C4' energy: -119.321
flat angles C4'-P-C4' energy: -170.288
flat angles P-C4'-P energy: -99.869
tors. eta vs tors. theta energy: -218.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2118.689864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.689864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.689864 (E_RNA)
where:
Base-Base interactions energy: -1452.904
where: short stacking energy: -591.561
Base-Backbone interact. energy: -0.872
local terms energy: -664.913660
where:
bonds (distance) C4'-P energy: -129.066
bonds (distance) P-C4' energy: -127.719
flat angles C4'-P-C4' energy: -151.612
flat angles P-C4'-P energy: -103.790
tors. eta vs tors. theta energy: -152.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1937.981201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.981201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.981201 (E_RNA)
where:
Base-Base interactions energy: -1322.990
where: short stacking energy: -592.408
Base-Backbone interact. energy: 0.754
local terms energy: -615.744967
where:
bonds (distance) C4'-P energy: -123.584
bonds (distance) P-C4' energy: -108.561
flat angles C4'-P-C4' energy: -139.655
flat angles P-C4'-P energy: -89.728
tors. eta vs tors. theta energy: -154.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1650.784336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.784336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.784336 (E_RNA)
where:
Base-Base interactions energy: -1057.023
where: short stacking energy: -490.575
Base-Backbone interact. energy: -3.240
local terms energy: -590.521981
where:
bonds (distance) C4'-P energy: -123.376
bonds (distance) P-C4' energy: -134.239
flat angles C4'-P-C4' energy: -137.973
flat angles P-C4'-P energy: -78.596
tors. eta vs tors. theta energy: -116.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1304.495375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.495375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.495375 (E_RNA)
where:
Base-Base interactions energy: -820.175
where: short stacking energy: -410.620
Base-Backbone interact. energy: -1.003
local terms energy: -483.317746
where:
bonds (distance) C4'-P energy: -102.532
bonds (distance) P-C4' energy: -98.264
flat angles C4'-P-C4' energy: -124.842
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -75.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -958.888025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.888025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.888025 (E_RNA)
where:
Base-Base interactions energy: -529.434
where: short stacking energy: -285.248
Base-Backbone interact. energy: -2.229
local terms energy: -427.225161
where:
bonds (distance) C4'-P energy: -110.767
bonds (distance) P-C4' energy: -112.577
flat angles C4'-P-C4' energy: -111.585
flat angles P-C4'-P energy: -44.585
tors. eta vs tors. theta energy: -47.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -995.610285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.610285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.610285 (E_RNA)
where:
Base-Base interactions energy: -560.205
where: short stacking energy: -286.983
Base-Backbone interact. energy: 4.896
local terms energy: -440.300508
where:
bonds (distance) C4'-P energy: -110.730
bonds (distance) P-C4' energy: -113.884
flat angles C4'-P-C4' energy: -110.507
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2495.649076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.649076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.649076 (E_RNA)
where:
Base-Base interactions energy: -1700.445
where: short stacking energy: -768.781
Base-Backbone interact. energy: -4.992
local terms energy: -790.212618
where:
bonds (distance) C4'-P energy: -141.484
bonds (distance) P-C4' energy: -136.626
flat angles C4'-P-C4' energy: -160.903
flat angles P-C4'-P energy: -119.437
tors. eta vs tors. theta energy: -231.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2501.668882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.668882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.668882 (E_RNA)
where:
Base-Base interactions energy: -1722.128
where: short stacking energy: -746.889
Base-Backbone interact. energy: -1.362
local terms energy: -778.179081
where:
bonds (distance) C4'-P energy: -127.517
bonds (distance) P-C4' energy: -143.522
flat angles C4'-P-C4' energy: -171.871
flat angles P-C4'-P energy: -120.653
tors. eta vs tors. theta energy: -214.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2391.943829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.943829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.943829 (E_RNA)
where:
Base-Base interactions energy: -1637.026
where: short stacking energy: -715.074
Base-Backbone interact. energy: -1.487
local terms energy: -753.430893
where:
bonds (distance) C4'-P energy: -149.567
bonds (distance) P-C4' energy: -128.013
flat angles C4'-P-C4' energy: -168.710
flat angles P-C4'-P energy: -102.667
tors. eta vs tors. theta energy: -204.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2314.559554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.559554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.559554 (E_RNA)
where:
Base-Base interactions energy: -1589.178
where: short stacking energy: -687.608
Base-Backbone interact. energy: -1.651
local terms energy: -723.730314
where:
bonds (distance) C4'-P energy: -143.279
bonds (distance) P-C4' energy: -125.512
flat angles C4'-P-C4' energy: -150.893
flat angles P-C4'-P energy: -106.757
tors. eta vs tors. theta energy: -197.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2127.969557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.969557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.969557 (E_RNA)
where:
Base-Base interactions energy: -1442.744
where: short stacking energy: -585.007
Base-Backbone interact. energy: 1.033
local terms energy: -686.259065
where:
bonds (distance) C4'-P energy: -122.818
bonds (distance) P-C4' energy: -133.383
flat angles C4'-P-C4' energy: -154.557
flat angles P-C4'-P energy: -110.265
tors. eta vs tors. theta energy: -165.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1911.813506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.813506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.813506 (E_RNA)
where:
Base-Base interactions energy: -1288.418
where: short stacking energy: -567.544
Base-Backbone interact. energy: -1.654
local terms energy: -621.741744
where:
bonds (distance) C4'-P energy: -113.961
bonds (distance) P-C4' energy: -140.460
flat angles C4'-P-C4' energy: -133.704
flat angles P-C4'-P energy: -86.848
tors. eta vs tors. theta energy: -146.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1499.107293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.107293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.107293 (E_RNA)
where:
Base-Base interactions energy: -926.869
where: short stacking energy: -438.831
Base-Backbone interact. energy: -3.243
local terms energy: -568.995297
where:
bonds (distance) C4'-P energy: -118.554
bonds (distance) P-C4' energy: -132.961
flat angles C4'-P-C4' energy: -136.761
flat angles P-C4'-P energy: -87.993
tors. eta vs tors. theta energy: -92.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1534.602889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.602889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.602889 (E_RNA)
where:
Base-Base interactions energy: -985.279
where: short stacking energy: -440.919
Base-Backbone interact. energy: 2.254
local terms energy: -551.577601
where:
bonds (distance) C4'-P energy: -116.931
bonds (distance) P-C4' energy: -124.454
flat angles C4'-P-C4' energy: -103.620
flat angles P-C4'-P energy: -99.528
tors. eta vs tors. theta energy: -107.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -994.996104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.996104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.996104 (E_RNA)
where:
Base-Base interactions energy: -568.061
where: short stacking energy: -257.789
Base-Backbone interact. energy: -2.600
local terms energy: -424.335786
where:
bonds (distance) C4'-P energy: -113.998
bonds (distance) P-C4' energy: -133.890
flat angles C4'-P-C4' energy: -98.825
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -27.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -866.117146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.117146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.117146 (E_RNA)
where:
Base-Base interactions energy: -477.774
where: short stacking energy: -259.013
Base-Backbone interact. energy: 5.302
local terms energy: -393.645446
where:
bonds (distance) C4'-P energy: -110.557
bonds (distance) P-C4' energy: -120.703
flat angles C4'-P-C4' energy: -110.417
flat angles P-C4'-P energy: -44.795
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2525.640920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.640920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.640920 (E_RNA)
where:
Base-Base interactions energy: -1680.161
where: short stacking energy: -765.982
Base-Backbone interact. energy: -1.471
local terms energy: -844.008984
where:
bonds (distance) C4'-P energy: -161.778
bonds (distance) P-C4' energy: -152.243
flat angles C4'-P-C4' energy: -162.710
flat angles P-C4'-P energy: -129.050
tors. eta vs tors. theta energy: -238.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2532.278688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.278688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.278688 (E_RNA)
where:
Base-Base interactions energy: -1731.100
where: short stacking energy: -738.753
Base-Backbone interact. energy: -1.931
local terms energy: -799.247630
where:
bonds (distance) C4'-P energy: -153.694
bonds (distance) P-C4' energy: -151.949
flat angles C4'-P-C4' energy: -170.346
flat angles P-C4'-P energy: -112.883
tors. eta vs tors. theta energy: -210.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2383.864466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.864466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.864466 (E_RNA)
where:
Base-Base interactions energy: -1645.952
where: short stacking energy: -710.038
Base-Backbone interact. energy: -2.949
local terms energy: -734.963790
where:
bonds (distance) C4'-P energy: -127.483
bonds (distance) P-C4' energy: -146.561
flat angles C4'-P-C4' energy: -166.066
flat angles P-C4'-P energy: -93.064
tors. eta vs tors. theta energy: -201.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2313.524860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.524860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.524860 (E_RNA)
where:
Base-Base interactions energy: -1594.147
where: short stacking energy: -692.803
Base-Backbone interact. energy: -2.608
local terms energy: -716.769921
where:
bonds (distance) C4'-P energy: -138.296
bonds (distance) P-C4' energy: -129.678
flat angles C4'-P-C4' energy: -144.440
flat angles P-C4'-P energy: -104.844
tors. eta vs tors. theta energy: -199.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2097.681857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.681857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.681857 (E_RNA)
where:
Base-Base interactions energy: -1410.523
where: short stacking energy: -621.314
Base-Backbone interact. energy: -2.341
local terms energy: -684.818086
where:
bonds (distance) C4'-P energy: -132.832
bonds (distance) P-C4' energy: -136.328
flat angles C4'-P-C4' energy: -137.105
flat angles P-C4'-P energy: -102.153
tors. eta vs tors. theta energy: -176.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1964.188838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.188838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.188838 (E_RNA)
where:
Base-Base interactions energy: -1304.807
where: short stacking energy: -600.818
Base-Backbone interact. energy: -3.672
local terms energy: -655.709799
where:
bonds (distance) C4'-P energy: -132.351
bonds (distance) P-C4' energy: -143.141
flat angles C4'-P-C4' energy: -145.283
flat angles P-C4'-P energy: -77.089
tors. eta vs tors. theta energy: -157.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1525.579378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.579378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.579378 (E_RNA)
where:
Base-Base interactions energy: -978.238
where: short stacking energy: -483.129
Base-Backbone interact. energy: 2.377
local terms energy: -549.718944
where:
bonds (distance) C4'-P energy: -107.608
bonds (distance) P-C4' energy: -134.850
flat angles C4'-P-C4' energy: -131.184
flat angles P-C4'-P energy: -88.025
tors. eta vs tors. theta energy: -88.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1545.733465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.733465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.733465 (E_RNA)
where:
Base-Base interactions energy: -976.710
where: short stacking energy: -449.792
Base-Backbone interact. energy: -0.578
local terms energy: -568.445383
where:
bonds (distance) C4'-P energy: -128.934
bonds (distance) P-C4' energy: -131.978
flat angles C4'-P-C4' energy: -129.762
flat angles P-C4'-P energy: -68.636
tors. eta vs tors. theta energy: -109.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1043.040272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.040272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.040272 (E_RNA)
where:
Base-Base interactions energy: -600.252
where: short stacking energy: -319.269
Base-Backbone interact. energy: -3.355
local terms energy: -439.432727
where:
bonds (distance) C4'-P energy: -123.039
bonds (distance) P-C4' energy: -135.861
flat angles C4'-P-C4' energy: -96.985
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -37.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -889.536905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.536905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.536905 (E_RNA)
where:
Base-Base interactions energy: -497.628
where: short stacking energy: -292.814
Base-Backbone interact. energy: -2.509
local terms energy: -389.400124
where:
bonds (distance) C4'-P energy: -114.814
bonds (distance) P-C4' energy: -111.378
flat angles C4'-P-C4' energy: -99.681
flat angles P-C4'-P energy: -48.328
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2584.822119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.822119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.822119 (E_RNA)
where:
Base-Base interactions energy: -1792.795
where: short stacking energy: -767.862
Base-Backbone interact. energy: -2.096
local terms energy: -789.931142
where:
bonds (distance) C4'-P energy: -151.468
bonds (distance) P-C4' energy: -142.111
flat angles C4'-P-C4' energy: -168.524
flat angles P-C4'-P energy: -113.557
tors. eta vs tors. theta energy: -214.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2465.080965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.080965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.080965 (E_RNA)
where:
Base-Base interactions energy: -1677.896
where: short stacking energy: -740.992
Base-Backbone interact. energy: -2.960
local terms energy: -784.224429
where:
bonds (distance) C4'-P energy: -125.808
bonds (distance) P-C4' energy: -152.513
flat angles C4'-P-C4' energy: -165.707
flat angles P-C4'-P energy: -107.654
tors. eta vs tors. theta energy: -232.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2414.064847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.064847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.064847 (E_RNA)
where:
Base-Base interactions energy: -1655.451
where: short stacking energy: -701.313
Base-Backbone interact. energy: -6.712
local terms energy: -751.902649
where:
bonds (distance) C4'-P energy: -134.008
bonds (distance) P-C4' energy: -151.324
flat angles C4'-P-C4' energy: -160.879
flat angles P-C4'-P energy: -107.443
tors. eta vs tors. theta energy: -198.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2346.225314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.225314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.225314 (E_RNA)
where:
Base-Base interactions energy: -1590.892
where: short stacking energy: -684.789
Base-Backbone interact. energy: -1.135
local terms energy: -754.198456
where:
bonds (distance) C4'-P energy: -135.336
bonds (distance) P-C4' energy: -146.948
flat angles C4'-P-C4' energy: -153.945
flat angles P-C4'-P energy: -111.616
tors. eta vs tors. theta energy: -206.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2123.544334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.544334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.544334 (E_RNA)
where:
Base-Base interactions energy: -1444.137
where: short stacking energy: -633.723
Base-Backbone interact. energy: -5.417
local terms energy: -673.990714
where:
bonds (distance) C4'-P energy: -139.480
bonds (distance) P-C4' energy: -106.271
flat angles C4'-P-C4' energy: -153.243
flat angles P-C4'-P energy: -91.162
tors. eta vs tors. theta energy: -183.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1916.634418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.634418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.634418 (E_RNA)
where:
Base-Base interactions energy: -1266.686
where: short stacking energy: -567.241
Base-Backbone interact. energy: 0.590
local terms energy: -650.538273
where:
bonds (distance) C4'-P energy: -124.304
bonds (distance) P-C4' energy: -125.512
flat angles C4'-P-C4' energy: -139.238
flat angles P-C4'-P energy: -103.088
tors. eta vs tors. theta energy: -158.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1553.316852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.316852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.316852 (E_RNA)
where:
Base-Base interactions energy: -981.080
where: short stacking energy: -455.153
Base-Backbone interact. energy: -2.142
local terms energy: -570.094316
where:
bonds (distance) C4'-P energy: -133.968
bonds (distance) P-C4' energy: -129.850
flat angles C4'-P-C4' energy: -129.853
flat angles P-C4'-P energy: -86.914
tors. eta vs tors. theta energy: -89.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1497.320023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.320023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.320023 (E_RNA)
where:
Base-Base interactions energy: -991.888
where: short stacking energy: -457.385
Base-Backbone interact. energy: -4.386
local terms energy: -501.045374
where:
bonds (distance) C4'-P energy: -103.678
bonds (distance) P-C4' energy: -105.358
flat angles C4'-P-C4' energy: -109.690
flat angles P-C4'-P energy: -80.535
tors. eta vs tors. theta energy: -101.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -977.102466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.102466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.102466 (E_RNA)
where:
Base-Base interactions energy: -561.998
where: short stacking energy: -280.950
Base-Backbone interact. energy: 3.409
local terms energy: -418.513356
where:
bonds (distance) C4'-P energy: -104.787
bonds (distance) P-C4' energy: -129.467
flat angles C4'-P-C4' energy: -105.916
flat angles P-C4'-P energy: -61.947
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -725.245141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.245141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.245141 (E_RNA)
where:
Base-Base interactions energy: -358.552
where: short stacking energy: -209.760
Base-Backbone interact. energy: -1.764
local terms energy: -364.929030
where:
bonds (distance) C4'-P energy: -100.486
bonds (distance) P-C4' energy: -115.838
flat angles C4'-P-C4' energy: -88.769
flat angles P-C4'-P energy: -61.706
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2574.254330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.254330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.254330 (E_RNA)
where:
Base-Base interactions energy: -1788.492
where: short stacking energy: -761.240
Base-Backbone interact. energy: 2.503
local terms energy: -788.265396
where:
bonds (distance) C4'-P energy: -150.613
bonds (distance) P-C4' energy: -151.259
flat angles C4'-P-C4' energy: -154.898
flat angles P-C4'-P energy: -111.024
tors. eta vs tors. theta energy: -220.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2432.540830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.540830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.540830 (E_RNA)
where:
Base-Base interactions energy: -1657.231
where: short stacking energy: -724.507
Base-Backbone interact. energy: 0.323
local terms energy: -775.633077
where:
bonds (distance) C4'-P energy: -146.593
bonds (distance) P-C4' energy: -145.174
flat angles C4'-P-C4' energy: -158.117
flat angles P-C4'-P energy: -110.621
tors. eta vs tors. theta energy: -215.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2391.509063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.509063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.509063 (E_RNA)
where:
Base-Base interactions energy: -1628.190
where: short stacking energy: -731.223
Base-Backbone interact. energy: -2.612
local terms energy: -760.707959
where:
bonds (distance) C4'-P energy: -145.777
bonds (distance) P-C4' energy: -130.530
flat angles C4'-P-C4' energy: -166.282
flat angles P-C4'-P energy: -98.372
tors. eta vs tors. theta energy: -219.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2341.684974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.684974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.684974 (E_RNA)
where:
Base-Base interactions energy: -1608.990
where: short stacking energy: -714.112
Base-Backbone interact. energy: -2.736
local terms energy: -729.959066
where:
bonds (distance) C4'-P energy: -134.530
bonds (distance) P-C4' energy: -123.703
flat angles C4'-P-C4' energy: -159.877
flat angles P-C4'-P energy: -86.587
tors. eta vs tors. theta energy: -225.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2131.282199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.282199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.282199 (E_RNA)
where:
Base-Base interactions energy: -1479.141
where: short stacking energy: -626.589
Base-Backbone interact. energy: -0.960
local terms energy: -651.181181
where:
bonds (distance) C4'-P energy: -129.636
bonds (distance) P-C4' energy: -121.196
flat angles C4'-P-C4' energy: -160.321
flat angles P-C4'-P energy: -78.227
tors. eta vs tors. theta energy: -161.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1902.429819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.429819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.429819 (E_RNA)
where:
Base-Base interactions energy: -1257.468
where: short stacking energy: -561.569
Base-Backbone interact. energy: -2.376
local terms energy: -642.585859
where:
bonds (distance) C4'-P energy: -125.140
bonds (distance) P-C4' energy: -138.780
flat angles C4'-P-C4' energy: -145.442
flat angles P-C4'-P energy: -95.061
tors. eta vs tors. theta energy: -138.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1604.289230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.289230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.289230 (E_RNA)
where:
Base-Base interactions energy: -1037.170
where: short stacking energy: -446.345
Base-Backbone interact. energy: -1.740
local terms energy: -565.379431
where:
bonds (distance) C4'-P energy: -140.124
bonds (distance) P-C4' energy: -126.321
flat angles C4'-P-C4' energy: -134.847
flat angles P-C4'-P energy: -79.149
tors. eta vs tors. theta energy: -84.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1391.774898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.774898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.774898 (E_RNA)
where:
Base-Base interactions energy: -850.810
where: short stacking energy: -401.693
Base-Backbone interact. energy: -2.665
local terms energy: -538.299936
where:
bonds (distance) C4'-P energy: -104.399
bonds (distance) P-C4' energy: -138.855
flat angles C4'-P-C4' energy: -124.428
flat angles P-C4'-P energy: -71.810
tors. eta vs tors. theta energy: -98.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -945.201805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.201805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.201805 (E_RNA)
where:
Base-Base interactions energy: -535.954
where: short stacking energy: -264.345
Base-Backbone interact. energy: -1.309
local terms energy: -407.939608
where:
bonds (distance) C4'-P energy: -93.978
bonds (distance) P-C4' energy: -118.483
flat angles C4'-P-C4' energy: -115.402
flat angles P-C4'-P energy: -60.283
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -681.009566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.009566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.009566 (E_RNA)
where:
Base-Base interactions energy: -335.116
where: short stacking energy: -215.442
Base-Backbone interact. energy: -0.597
local terms energy: -345.297343
where:
bonds (distance) C4'-P energy: -102.064
bonds (distance) P-C4' energy: -115.792
flat angles C4'-P-C4' energy: -101.891
flat angles P-C4'-P energy: -43.684
tors. eta vs tors. theta energy: 18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2592.454322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.454322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.454322 (E_RNA)
where:
Base-Base interactions energy: -1791.309
where: short stacking energy: -752.433
Base-Backbone interact. energy: -4.341
local terms energy: -796.804009
where:
bonds (distance) C4'-P energy: -147.504
bonds (distance) P-C4' energy: -136.366
flat angles C4'-P-C4' energy: -170.074
flat angles P-C4'-P energy: -117.998
tors. eta vs tors. theta energy: -224.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2481.949397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.949397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.949397 (E_RNA)
where:
Base-Base interactions energy: -1669.139
where: short stacking energy: -733.662
Base-Backbone interact. energy: -1.324
local terms energy: -811.486204
where:
bonds (distance) C4'-P energy: -152.291
bonds (distance) P-C4' energy: -158.951
flat angles C4'-P-C4' energy: -168.747
flat angles P-C4'-P energy: -113.732
tors. eta vs tors. theta energy: -217.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2390.097673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.097673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.097673 (E_RNA)
where:
Base-Base interactions energy: -1625.600
where: short stacking energy: -723.803
Base-Backbone interact. energy: -1.593
local terms energy: -762.905189
where:
bonds (distance) C4'-P energy: -127.933
bonds (distance) P-C4' energy: -148.387
flat angles C4'-P-C4' energy: -163.292
flat angles P-C4'-P energy: -113.933
tors. eta vs tors. theta energy: -209.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2326.245644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.245644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.245644 (E_RNA)
where:
Base-Base interactions energy: -1588.571
where: short stacking energy: -698.614
Base-Backbone interact. energy: -4.716
local terms energy: -732.958177
where:
bonds (distance) C4'-P energy: -116.974
bonds (distance) P-C4' energy: -136.653
flat angles C4'-P-C4' energy: -147.225
flat angles P-C4'-P energy: -116.869
tors. eta vs tors. theta energy: -215.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2095.949836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.949836 (E_RNA)
where:
Base-Base interactions energy: -1431.475
where: short stacking energy: -610.429
Base-Backbone interact. energy: -2.459
local terms energy: -662.015273
where:
bonds (distance) C4'-P energy: -128.217
bonds (distance) P-C4' energy: -116.243
flat angles C4'-P-C4' energy: -164.139
flat angles P-C4'-P energy: -82.543
tors. eta vs tors. theta energy: -170.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1925.375730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.375730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.375730 (E_RNA)
where:
Base-Base interactions energy: -1291.097
where: short stacking energy: -561.460
Base-Backbone interact. energy: -4.521
local terms energy: -629.757917
where:
bonds (distance) C4'-P energy: -104.604
bonds (distance) P-C4' energy: -129.210
flat angles C4'-P-C4' energy: -146.631
flat angles P-C4'-P energy: -91.588
tors. eta vs tors. theta energy: -157.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1596.832819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.832819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.832819 (E_RNA)
where:
Base-Base interactions energy: -1039.523
where: short stacking energy: -447.622
Base-Backbone interact. energy: -2.035
local terms energy: -555.275230
where:
bonds (distance) C4'-P energy: -129.346
bonds (distance) P-C4' energy: -133.512
flat angles C4'-P-C4' energy: -121.725
flat angles P-C4'-P energy: -83.505
tors. eta vs tors. theta energy: -87.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1346.015868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.015868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.015868 (E_RNA)
where:
Base-Base interactions energy: -846.478
where: short stacking energy: -420.255
Base-Backbone interact. energy: 0.227
local terms energy: -499.765498
where:
bonds (distance) C4'-P energy: -114.884
bonds (distance) P-C4' energy: -122.591
flat angles C4'-P-C4' energy: -113.097
flat angles P-C4'-P energy: -76.413
tors. eta vs tors. theta energy: -72.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -906.918656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.918656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.918656 (E_RNA)
where:
Base-Base interactions energy: -522.080
where: short stacking energy: -291.699
Base-Backbone interact. energy: 3.161
local terms energy: -387.999320
where:
bonds (distance) C4'-P energy: -96.691
bonds (distance) P-C4' energy: -125.082
flat angles C4'-P-C4' energy: -91.086
flat angles P-C4'-P energy: -58.636
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -724.462509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.462509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.462509 (E_RNA)
where:
Base-Base interactions energy: -344.886
where: short stacking energy: -182.955
Base-Backbone interact. energy: 1.154
local terms energy: -380.730647
where:
bonds (distance) C4'-P energy: -108.318
bonds (distance) P-C4' energy: -133.690
flat angles C4'-P-C4' energy: -78.204
flat angles P-C4'-P energy: -73.765
tors. eta vs tors. theta energy: 13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2593.084249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.084249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.084249 (E_RNA)
where:
Base-Base interactions energy: -1797.658
where: short stacking energy: -765.241
Base-Backbone interact. energy: -5.935
local terms energy: -789.490827
where:
bonds (distance) C4'-P energy: -122.552
bonds (distance) P-C4' energy: -166.769
flat angles C4'-P-C4' energy: -164.277
flat angles P-C4'-P energy: -107.161
tors. eta vs tors. theta energy: -228.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2489.351313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.351313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.351313 (E_RNA)
where:
Base-Base interactions energy: -1702.773
where: short stacking energy: -758.540
Base-Backbone interact. energy: -5.414
local terms energy: -781.164220
where:
bonds (distance) C4'-P energy: -136.875
bonds (distance) P-C4' energy: -137.759
flat angles C4'-P-C4' energy: -163.577
flat angles P-C4'-P energy: -119.878
tors. eta vs tors. theta energy: -223.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2397.902115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.902115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.902115 (E_RNA)
where:
Base-Base interactions energy: -1630.822
where: short stacking energy: -744.104
Base-Backbone interact. energy: -3.238
local terms energy: -763.842482
where:
bonds (distance) C4'-P energy: -141.261
bonds (distance) P-C4' energy: -138.140
flat angles C4'-P-C4' energy: -165.095
flat angles P-C4'-P energy: -99.743
tors. eta vs tors. theta energy: -219.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2336.260428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.260428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.260428 (E_RNA)
where:
Base-Base interactions energy: -1600.690
where: short stacking energy: -685.327
Base-Backbone interact. energy: 2.033
local terms energy: -737.603533
where:
bonds (distance) C4'-P energy: -134.611
bonds (distance) P-C4' energy: -129.641
flat angles C4'-P-C4' energy: -164.529
flat angles P-C4'-P energy: -97.762
tors. eta vs tors. theta energy: -211.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2134.622159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.622159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.622159 (E_RNA)
where:
Base-Base interactions energy: -1471.840
where: short stacking energy: -626.078
Base-Backbone interact. energy: -1.030
local terms energy: -661.752295
where:
bonds (distance) C4'-P energy: -126.411
bonds (distance) P-C4' energy: -134.952
flat angles C4'-P-C4' energy: -152.003
flat angles P-C4'-P energy: -88.671
tors. eta vs tors. theta energy: -159.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1909.193974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.193974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.193974 (E_RNA)
where:
Base-Base interactions energy: -1264.985
where: short stacking energy: -563.047
Base-Backbone interact. energy: -0.546
local terms energy: -643.662657
where:
bonds (distance) C4'-P energy: -124.487
bonds (distance) P-C4' energy: -140.748
flat angles C4'-P-C4' energy: -140.475
flat angles P-C4'-P energy: -92.062
tors. eta vs tors. theta energy: -145.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1618.821806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.821806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.821806 (E_RNA)
where:
Base-Base interactions energy: -1034.272
where: short stacking energy: -463.487
Base-Backbone interact. energy: -3.889
local terms energy: -580.660478
where:
bonds (distance) C4'-P energy: -127.468
bonds (distance) P-C4' energy: -142.991
flat angles C4'-P-C4' energy: -128.197
flat angles P-C4'-P energy: -72.373
tors. eta vs tors. theta energy: -109.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1394.779437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.779437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.779437 (E_RNA)
where:
Base-Base interactions energy: -830.560
where: short stacking energy: -409.253
Base-Backbone interact. energy: -3.440
local terms energy: -560.779275
where:
bonds (distance) C4'-P energy: -119.655
bonds (distance) P-C4' energy: -142.747
flat angles C4'-P-C4' energy: -136.249
flat angles P-C4'-P energy: -73.199
tors. eta vs tors. theta energy: -88.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -933.736661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.736661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.736661 (E_RNA)
where:
Base-Base interactions energy: -507.598
where: short stacking energy: -264.601
Base-Backbone interact. energy: -0.537
local terms energy: -425.600931
where:
bonds (distance) C4'-P energy: -108.532
bonds (distance) P-C4' energy: -134.784
flat angles C4'-P-C4' energy: -111.498
flat angles P-C4'-P energy: -67.104
tors. eta vs tors. theta energy: -3.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -800.358923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.358923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.358923 (E_RNA)
where:
Base-Base interactions energy: -376.592
where: short stacking energy: -242.940
Base-Backbone interact. energy: -1.583
local terms energy: -422.183610
where:
bonds (distance) C4'-P energy: -114.957
bonds (distance) P-C4' energy: -125.039
flat angles C4'-P-C4' energy: -117.836
flat angles P-C4'-P energy: -51.879
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2584.587150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.587150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.587150 (E_RNA)
where:
Base-Base interactions energy: -1804.405
where: short stacking energy: -790.547
Base-Backbone interact. energy: -3.221
local terms energy: -776.961474
where:
bonds (distance) C4'-P energy: -131.670
bonds (distance) P-C4' energy: -139.180
flat angles C4'-P-C4' energy: -164.474
flat angles P-C4'-P energy: -113.173
tors. eta vs tors. theta energy: -228.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2494.690188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.690188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.690188 (E_RNA)
where:
Base-Base interactions energy: -1694.563
where: short stacking energy: -747.659
Base-Backbone interact. energy: -5.861
local terms energy: -794.265642
where:
bonds (distance) C4'-P energy: -143.650
bonds (distance) P-C4' energy: -139.050
flat angles C4'-P-C4' energy: -173.395
flat angles P-C4'-P energy: -115.637
tors. eta vs tors. theta energy: -222.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2373.365566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.365566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.365566 (E_RNA)
where:
Base-Base interactions energy: -1627.819
where: short stacking energy: -719.913
Base-Backbone interact. energy: -3.235
local terms energy: -742.311274
where:
bonds (distance) C4'-P energy: -128.390
bonds (distance) P-C4' energy: -135.739
flat angles C4'-P-C4' energy: -151.742
flat angles P-C4'-P energy: -111.565
tors. eta vs tors. theta energy: -214.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2327.685866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.685866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.685866 (E_RNA)
where:
Base-Base interactions energy: -1599.710
where: short stacking energy: -706.111
Base-Backbone interact. energy: -0.037
local terms energy: -727.938242
where:
bonds (distance) C4'-P energy: -128.499
bonds (distance) P-C4' energy: -144.520
flat angles C4'-P-C4' energy: -155.663
flat angles P-C4'-P energy: -87.511
tors. eta vs tors. theta energy: -211.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2119.719349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.719349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.719349 (E_RNA)
where:
Base-Base interactions energy: -1418.100
where: short stacking energy: -585.270
Base-Backbone interact. energy: -0.963
local terms energy: -700.656511
where:
bonds (distance) C4'-P energy: -143.008
bonds (distance) P-C4' energy: -132.081
flat angles C4'-P-C4' energy: -148.069
flat angles P-C4'-P energy: -101.864
tors. eta vs tors. theta energy: -175.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1898.692646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.692646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.692646 (E_RNA)
where:
Base-Base interactions energy: -1253.994
where: short stacking energy: -562.653
Base-Backbone interact. energy: 1.835
local terms energy: -646.533303
where:
bonds (distance) C4'-P energy: -130.809
bonds (distance) P-C4' energy: -125.173
flat angles C4'-P-C4' energy: -145.667
flat angles P-C4'-P energy: -94.154
tors. eta vs tors. theta energy: -150.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1636.843058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.843058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.843058 (E_RNA)
where:
Base-Base interactions energy: -1058.861
where: short stacking energy: -474.941
Base-Backbone interact. energy: -3.109
local terms energy: -574.873404
where:
bonds (distance) C4'-P energy: -117.054
bonds (distance) P-C4' energy: -120.864
flat angles C4'-P-C4' energy: -147.353
flat angles P-C4'-P energy: -81.639
tors. eta vs tors. theta energy: -107.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1380.154266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.154266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.154266 (E_RNA)
where:
Base-Base interactions energy: -853.518
where: short stacking energy: -394.091
Base-Backbone interact. energy: 0.873
local terms energy: -527.508711
where:
bonds (distance) C4'-P energy: -116.621
bonds (distance) P-C4' energy: -136.656
flat angles C4'-P-C4' energy: -128.464
flat angles P-C4'-P energy: -86.258
tors. eta vs tors. theta energy: -59.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -941.597422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.597422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.597422 (E_RNA)
where:
Base-Base interactions energy: -508.325
where: short stacking energy: -254.458
Base-Backbone interact. energy: -2.361
local terms energy: -430.911858
where:
bonds (distance) C4'-P energy: -117.102
bonds (distance) P-C4' energy: -127.754
flat angles C4'-P-C4' energy: -100.353
flat angles P-C4'-P energy: -57.828
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -741.615330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.615330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.615330 (E_RNA)
where:
Base-Base interactions energy: -367.835
where: short stacking energy: -205.873
Base-Backbone interact. energy: 0.739
local terms energy: -374.519186
where:
bonds (distance) C4'-P energy: -103.588
bonds (distance) P-C4' energy: -121.807
flat angles C4'-P-C4' energy: -108.659
flat angles P-C4'-P energy: -47.291
tors. eta vs tors. theta energy: 6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2650.566034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.566034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.566034 (E_RNA)
where:
Base-Base interactions energy: -1836.550
where: short stacking energy: -795.190
Base-Backbone interact. energy: -2.067
local terms energy: -811.948975
where:
bonds (distance) C4'-P energy: -145.203
bonds (distance) P-C4' energy: -156.616
flat angles C4'-P-C4' energy: -180.284
flat angles P-C4'-P energy: -106.464
tors. eta vs tors. theta energy: -223.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2489.732910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.732910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.732910 (E_RNA)
where:
Base-Base interactions energy: -1719.140
where: short stacking energy: -740.136
Base-Backbone interact. energy: -3.476
local terms energy: -767.116202
where:
bonds (distance) C4'-P energy: -130.815
bonds (distance) P-C4' energy: -143.582
flat angles C4'-P-C4' energy: -162.157
flat angles P-C4'-P energy: -109.483
tors. eta vs tors. theta energy: -221.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2384.472752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.472752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.472752 (E_RNA)
where:
Base-Base interactions energy: -1634.312
where: short stacking energy: -713.479
Base-Backbone interact. energy: 4.497
local terms energy: -754.658198
where:
bonds (distance) C4'-P energy: -140.147
bonds (distance) P-C4' energy: -133.806
flat angles C4'-P-C4' energy: -164.238
flat angles P-C4'-P energy: -112.134
tors. eta vs tors. theta energy: -204.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2308.723485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.723485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.723485 (E_RNA)
where:
Base-Base interactions energy: -1590.493
where: short stacking energy: -689.141
Base-Backbone interact. energy: -2.063
local terms energy: -716.167448
where:
bonds (distance) C4'-P energy: -121.973
bonds (distance) P-C4' energy: -137.242
flat angles C4'-P-C4' energy: -156.715
flat angles P-C4'-P energy: -88.543
tors. eta vs tors. theta energy: -211.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2105.255052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.255052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.255052 (E_RNA)
where:
Base-Base interactions energy: -1433.150
where: short stacking energy: -593.984
Base-Backbone interact. energy: -1.326
local terms energy: -670.779013
where:
bonds (distance) C4'-P energy: -115.867
bonds (distance) P-C4' energy: -130.841
flat angles C4'-P-C4' energy: -172.017
flat angles P-C4'-P energy: -97.954
tors. eta vs tors. theta energy: -154.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1918.211006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.211006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.211006 (E_RNA)
where:
Base-Base interactions energy: -1284.226
where: short stacking energy: -583.469
Base-Backbone interact. energy: -2.428
local terms energy: -631.556361
where:
bonds (distance) C4'-P energy: -112.219
bonds (distance) P-C4' energy: -114.865
flat angles C4'-P-C4' energy: -163.318
flat angles P-C4'-P energy: -85.274
tors. eta vs tors. theta energy: -155.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1580.985278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.985278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.985278 (E_RNA)
where:
Base-Base interactions energy: -1003.456
where: short stacking energy: -475.092
Base-Backbone interact. energy: -1.191
local terms energy: -576.339153
where:
bonds (distance) C4'-P energy: -127.961
bonds (distance) P-C4' energy: -140.432
flat angles C4'-P-C4' energy: -133.280
flat angles P-C4'-P energy: -81.428
tors. eta vs tors. theta energy: -93.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1309.246930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.246930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.246930 (E_RNA)
where:
Base-Base interactions energy: -823.192
where: short stacking energy: -371.372
Base-Backbone interact. energy: 1.398
local terms energy: -487.452357
where:
bonds (distance) C4'-P energy: -113.776
bonds (distance) P-C4' energy: -140.415
flat angles C4'-P-C4' energy: -113.139
flat angles P-C4'-P energy: -69.055
tors. eta vs tors. theta energy: -51.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -898.867816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.867816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.867816 (E_RNA)
where:
Base-Base interactions energy: -460.374
where: short stacking energy: -253.951
Base-Backbone interact. energy: -2.826
local terms energy: -435.667509
where:
bonds (distance) C4'-P energy: -120.809
bonds (distance) P-C4' energy: -119.376
flat angles C4'-P-C4' energy: -107.651
flat angles P-C4'-P energy: -71.233
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -725.837578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.837578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.837578 (E_RNA)
where:
Base-Base interactions energy: -339.273
where: short stacking energy: -200.938
Base-Backbone interact. energy: 1.054
local terms energy: -387.618369
where:
bonds (distance) C4'-P energy: -117.758
bonds (distance) P-C4' energy: -118.290
flat angles C4'-P-C4' energy: -113.648
flat angles P-C4'-P energy: -54.728
tors. eta vs tors. theta energy: 16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2592.154715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.154715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.154715 (E_RNA)
where:
Base-Base interactions energy: -1804.616
where: short stacking energy: -793.364
Base-Backbone interact. energy: -0.863
local terms energy: -786.675557
where:
bonds (distance) C4'-P energy: -150.129
bonds (distance) P-C4' energy: -133.380
flat angles C4'-P-C4' energy: -166.712
flat angles P-C4'-P energy: -115.285
tors. eta vs tors. theta energy: -221.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2526.147782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.147782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.147782 (E_RNA)
where:
Base-Base interactions energy: -1720.596
where: short stacking energy: -765.964
Base-Backbone interact. energy: -4.011
local terms energy: -801.540882
where:
bonds (distance) C4'-P energy: -144.546
bonds (distance) P-C4' energy: -144.855
flat angles C4'-P-C4' energy: -170.755
flat angles P-C4'-P energy: -119.006
tors. eta vs tors. theta energy: -222.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2387.181818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.181818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.181818 (E_RNA)
where:
Base-Base interactions energy: -1630.327
where: short stacking energy: -722.198
Base-Backbone interact. energy: -3.143
local terms energy: -753.711261
where:
bonds (distance) C4'-P energy: -117.600
bonds (distance) P-C4' energy: -149.349
flat angles C4'-P-C4' energy: -159.564
flat angles P-C4'-P energy: -103.891
tors. eta vs tors. theta energy: -223.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2336.783669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.783669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.783669 (E_RNA)
where:
Base-Base interactions energy: -1624.256
where: short stacking energy: -712.092
Base-Backbone interact. energy: -1.579
local terms energy: -710.949028
where:
bonds (distance) C4'-P energy: -115.698
bonds (distance) P-C4' energy: -118.463
flat angles C4'-P-C4' energy: -155.211
flat angles P-C4'-P energy: -105.829
tors. eta vs tors. theta energy: -215.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2062.799589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.799589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.799589 (E_RNA)
where:
Base-Base interactions energy: -1413.303
where: short stacking energy: -605.827
Base-Backbone interact. energy: -0.672
local terms energy: -648.824512
where:
bonds (distance) C4'-P energy: -137.011
bonds (distance) P-C4' energy: -125.346
flat angles C4'-P-C4' energy: -127.342
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -163.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1906.831365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.831365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.831365 (E_RNA)
where:
Base-Base interactions energy: -1283.579
where: short stacking energy: -585.562
Base-Backbone interact. energy: -0.425
local terms energy: -622.826555
where:
bonds (distance) C4'-P energy: -123.680
bonds (distance) P-C4' energy: -119.279
flat angles C4'-P-C4' energy: -158.414
flat angles P-C4'-P energy: -60.867
tors. eta vs tors. theta energy: -160.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1598.433179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.433179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.433179 (E_RNA)
where:
Base-Base interactions energy: -1031.883
where: short stacking energy: -489.189
Base-Backbone interact. energy: -1.970
local terms energy: -564.580893
where:
bonds (distance) C4'-P energy: -122.352
bonds (distance) P-C4' energy: -124.119
flat angles C4'-P-C4' energy: -129.130
flat angles P-C4'-P energy: -89.287
tors. eta vs tors. theta energy: -99.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1375.002207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.002207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.002207 (E_RNA)
where:
Base-Base interactions energy: -824.198
where: short stacking energy: -389.847
Base-Backbone interact. energy: 2.881
local terms energy: -553.684963
where:
bonds (distance) C4'-P energy: -131.885
bonds (distance) P-C4' energy: -136.862
flat angles C4'-P-C4' energy: -141.556
flat angles P-C4'-P energy: -77.455
tors. eta vs tors. theta energy: -65.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -934.017052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.017052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.017052 (E_RNA)
where:
Base-Base interactions energy: -513.524
where: short stacking energy: -278.526
Base-Backbone interact. energy: 4.739
local terms energy: -425.231856
where:
bonds (distance) C4'-P energy: -99.635
bonds (distance) P-C4' energy: -128.481
flat angles C4'-P-C4' energy: -112.169
flat angles P-C4'-P energy: -50.670
tors. eta vs tors. theta energy: -34.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -737.441457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.441457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.441457 (E_RNA)
where:
Base-Base interactions energy: -343.023
where: short stacking energy: -210.250
Base-Backbone interact. energy: 0.441
local terms energy: -394.859690
where:
bonds (distance) C4'-P energy: -102.616
bonds (distance) P-C4' energy: -117.399
flat angles C4'-P-C4' energy: -102.306
flat angles P-C4'-P energy: -79.810
tors. eta vs tors. theta energy: 7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2576.104535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.104535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.104535 (E_RNA)
where:
Base-Base interactions energy: -1776.308
where: short stacking energy: -746.992
Base-Backbone interact. energy: -2.512
local terms energy: -797.283829
where:
bonds (distance) C4'-P energy: -142.120
bonds (distance) P-C4' energy: -160.133
flat angles C4'-P-C4' energy: -161.928
flat angles P-C4'-P energy: -116.431
tors. eta vs tors. theta energy: -216.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2503.245645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.245645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.245645 (E_RNA)
where:
Base-Base interactions energy: -1750.323
where: short stacking energy: -768.674
Base-Backbone interact. energy: -0.751
local terms energy: -752.171647
where:
bonds (distance) C4'-P energy: -120.356
bonds (distance) P-C4' energy: -144.939
flat angles C4'-P-C4' energy: -164.590
flat angles P-C4'-P energy: -109.172
tors. eta vs tors. theta energy: -213.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2392.461902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.461902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.461902 (E_RNA)
where:
Base-Base interactions energy: -1637.900
where: short stacking energy: -712.814
Base-Backbone interact. energy: -1.322
local terms energy: -753.240398
where:
bonds (distance) C4'-P energy: -127.332
bonds (distance) P-C4' energy: -141.143
flat angles C4'-P-C4' energy: -155.751
flat angles P-C4'-P energy: -109.218
tors. eta vs tors. theta energy: -219.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2344.139706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.139706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.139706 (E_RNA)
where:
Base-Base interactions energy: -1630.710
where: short stacking energy: -732.680
Base-Backbone interact. energy: -2.971
local terms energy: -710.458305
where:
bonds (distance) C4'-P energy: -110.596
bonds (distance) P-C4' energy: -125.554
flat angles C4'-P-C4' energy: -161.708
flat angles P-C4'-P energy: -96.019
tors. eta vs tors. theta energy: -216.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2057.511204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.511204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.511204 (E_RNA)
where:
Base-Base interactions energy: -1380.470
where: short stacking energy: -624.067
Base-Backbone interact. energy: -1.905
local terms energy: -675.136195
where:
bonds (distance) C4'-P energy: -122.512
bonds (distance) P-C4' energy: -122.146
flat angles C4'-P-C4' energy: -139.734
flat angles P-C4'-P energy: -112.874
tors. eta vs tors. theta energy: -177.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1932.795413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.795413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.795413 (E_RNA)
where:
Base-Base interactions energy: -1266.285
where: short stacking energy: -563.558
Base-Backbone interact. energy: -3.304
local terms energy: -663.206078
where:
bonds (distance) C4'-P energy: -117.185
bonds (distance) P-C4' energy: -129.032
flat angles C4'-P-C4' energy: -157.447
flat angles P-C4'-P energy: -100.594
tors. eta vs tors. theta energy: -158.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1616.798947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.798947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.798947 (E_RNA)
where:
Base-Base interactions energy: -1036.277
where: short stacking energy: -469.408
Base-Backbone interact. energy: -3.388
local terms energy: -577.133651
where:
bonds (distance) C4'-P energy: -130.704
bonds (distance) P-C4' energy: -121.426
flat angles C4'-P-C4' energy: -127.410
flat angles P-C4'-P energy: -86.562
tors. eta vs tors. theta energy: -111.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1432.849395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.849395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.849395 (E_RNA)
where:
Base-Base interactions energy: -895.660
where: short stacking energy: -465.167
Base-Backbone interact. energy: -2.994
local terms energy: -534.195970
where:
bonds (distance) C4'-P energy: -99.584
bonds (distance) P-C4' energy: -125.638
flat angles C4'-P-C4' energy: -148.537
flat angles P-C4'-P energy: -73.730
tors. eta vs tors. theta energy: -86.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -895.316150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.316150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.316150 (E_RNA)
where:
Base-Base interactions energy: -456.365
where: short stacking energy: -261.312
Base-Backbone interact. energy: 2.914
local terms energy: -441.864825
where:
bonds (distance) C4'-P energy: -119.973
bonds (distance) P-C4' energy: -109.575
flat angles C4'-P-C4' energy: -108.436
flat angles P-C4'-P energy: -78.331
tors. eta vs tors. theta energy: -25.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -775.983054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.983054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.983054 (E_RNA)
where:
Base-Base interactions energy: -390.299
where: short stacking energy: -212.468
Base-Backbone interact. energy: 3.464
local terms energy: -389.147968
where:
bonds (distance) C4'-P energy: -98.429
bonds (distance) P-C4' energy: -124.288
flat angles C4'-P-C4' energy: -100.269
flat angles P-C4'-P energy: -60.549
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2628.226601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.226601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.226601 (E_RNA)
where:
Base-Base interactions energy: -1834.427
where: short stacking energy: -763.204
Base-Backbone interact. energy: 2.281
local terms energy: -796.080234
where:
bonds (distance) C4'-P energy: -151.140
bonds (distance) P-C4' energy: -148.152
flat angles C4'-P-C4' energy: -172.459
flat angles P-C4'-P energy: -107.596
tors. eta vs tors. theta energy: -216.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2522.009366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.009366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.009366 (E_RNA)
where:
Base-Base interactions energy: -1713.838
where: short stacking energy: -744.589
Base-Backbone interact. energy: 1.146
local terms energy: -809.316956
where:
bonds (distance) C4'-P energy: -149.206
bonds (distance) P-C4' energy: -153.416
flat angles C4'-P-C4' energy: -169.395
flat angles P-C4'-P energy: -106.549
tors. eta vs tors. theta energy: -230.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2398.431587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.431587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.431587 (E_RNA)
where:
Base-Base interactions energy: -1626.729
where: short stacking energy: -711.482
Base-Backbone interact. energy: -3.064
local terms energy: -768.638471
where:
bonds (distance) C4'-P energy: -132.313
bonds (distance) P-C4' energy: -145.833
flat angles C4'-P-C4' energy: -160.435
flat angles P-C4'-P energy: -106.603
tors. eta vs tors. theta energy: -223.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2332.924410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.924410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.924410 (E_RNA)
where:
Base-Base interactions energy: -1591.318
where: short stacking energy: -708.387
Base-Backbone interact. energy: -3.876
local terms energy: -737.730775
where:
bonds (distance) C4'-P energy: -152.149
bonds (distance) P-C4' energy: -125.548
flat angles C4'-P-C4' energy: -159.256
flat angles P-C4'-P energy: -100.567
tors. eta vs tors. theta energy: -200.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2001.017933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.017933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.017933 (E_RNA)
where:
Base-Base interactions energy: -1344.024
where: short stacking energy: -619.078
Base-Backbone interact. energy: -0.248
local terms energy: -656.745696
where:
bonds (distance) C4'-P energy: -119.083
bonds (distance) P-C4' energy: -140.563
flat angles C4'-P-C4' energy: -144.957
flat angles P-C4'-P energy: -94.705
tors. eta vs tors. theta energy: -157.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1952.109272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.109272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.109272 (E_RNA)
where:
Base-Base interactions energy: -1305.175
where: short stacking energy: -578.213
Base-Backbone interact. energy: 0.909
local terms energy: -647.843044
where:
bonds (distance) C4'-P energy: -128.223
bonds (distance) P-C4' energy: -116.164
flat angles C4'-P-C4' energy: -149.731
flat angles P-C4'-P energy: -96.034
tors. eta vs tors. theta energy: -157.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1651.272278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.272278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.272278 (E_RNA)
where:
Base-Base interactions energy: -1068.423
where: short stacking energy: -466.370
Base-Backbone interact. energy: 1.940
local terms energy: -584.789639
where:
bonds (distance) C4'-P energy: -133.275
bonds (distance) P-C4' energy: -141.680
flat angles C4'-P-C4' energy: -131.776
flat angles P-C4'-P energy: -83.088
tors. eta vs tors. theta energy: -94.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1432.755878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.755878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.755878 (E_RNA)
where:
Base-Base interactions energy: -890.149
where: short stacking energy: -432.300
Base-Backbone interact. energy: 0.342
local terms energy: -542.949460
where:
bonds (distance) C4'-P energy: -118.876
bonds (distance) P-C4' energy: -112.207
flat angles C4'-P-C4' energy: -125.243
flat angles P-C4'-P energy: -81.029
tors. eta vs tors. theta energy: -105.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -984.836339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.836339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.836339 (E_RNA)
where:
Base-Base interactions energy: -523.602
where: short stacking energy: -270.580
Base-Backbone interact. energy: -0.059
local terms energy: -461.175432
where:
bonds (distance) C4'-P energy: -110.106
bonds (distance) P-C4' energy: -116.196
flat angles C4'-P-C4' energy: -118.409
flat angles P-C4'-P energy: -73.952
tors. eta vs tors. theta energy: -42.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -773.011368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.011368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.011368 (E_RNA)
where:
Base-Base interactions energy: -369.214
where: short stacking energy: -206.710
Base-Backbone interact. energy: 4.203
local terms energy: -408.001231
where:
bonds (distance) C4'-P energy: -115.199
bonds (distance) P-C4' energy: -127.574
flat angles C4'-P-C4' energy: -102.566
flat angles P-C4'-P energy: -59.889
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2613.013609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.013609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.013609 (E_RNA)
where:
Base-Base interactions energy: -1816.905
where: short stacking energy: -769.711
Base-Backbone interact. energy: 2.352
local terms energy: -798.460603
where:
bonds (distance) C4'-P energy: -154.759
bonds (distance) P-C4' energy: -144.265
flat angles C4'-P-C4' energy: -164.795
flat angles P-C4'-P energy: -115.977
tors. eta vs tors. theta energy: -218.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2496.225829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.225829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.225829 (E_RNA)
where:
Base-Base interactions energy: -1721.543
where: short stacking energy: -743.827
Base-Backbone interact. energy: -3.939
local terms energy: -770.743805
where:
bonds (distance) C4'-P energy: -132.579
bonds (distance) P-C4' energy: -146.175
flat angles C4'-P-C4' energy: -170.073
flat angles P-C4'-P energy: -106.293
tors. eta vs tors. theta energy: -215.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2399.661141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.661141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.661141 (E_RNA)
where:
Base-Base interactions energy: -1612.770
where: short stacking energy: -727.124
Base-Backbone interact. energy: -1.439
local terms energy: -785.452035
where:
bonds (distance) C4'-P energy: -137.109
bonds (distance) P-C4' energy: -158.290
flat angles C4'-P-C4' energy: -157.308
flat angles P-C4'-P energy: -106.008
tors. eta vs tors. theta energy: -226.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2339.063626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.063626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.063626 (E_RNA)
where:
Base-Base interactions energy: -1615.187
where: short stacking energy: -712.471
Base-Backbone interact. energy: -3.361
local terms energy: -720.515373
where:
bonds (distance) C4'-P energy: -118.795
bonds (distance) P-C4' energy: -143.524
flat angles C4'-P-C4' energy: -157.592
flat angles P-C4'-P energy: -89.932
tors. eta vs tors. theta energy: -210.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2008.951525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.951525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.951525 (E_RNA)
where:
Base-Base interactions energy: -1348.034
where: short stacking energy: -583.633
Base-Backbone interact. energy: -3.336
local terms energy: -657.581601
where:
bonds (distance) C4'-P energy: -124.335
bonds (distance) P-C4' energy: -121.487
flat angles C4'-P-C4' energy: -154.756
flat angles P-C4'-P energy: -86.343
tors. eta vs tors. theta energy: -170.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1890.064600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.064600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.064600 (E_RNA)
where:
Base-Base interactions energy: -1257.902
where: short stacking energy: -551.497
Base-Backbone interact. energy: -3.018
local terms energy: -629.144713
where:
bonds (distance) C4'-P energy: -112.612
bonds (distance) P-C4' energy: -135.556
flat angles C4'-P-C4' energy: -128.211
flat angles P-C4'-P energy: -98.718
tors. eta vs tors. theta energy: -154.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1632.075276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.075276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.075276 (E_RNA)
where:
Base-Base interactions energy: -1060.891
where: short stacking energy: -485.255
Base-Backbone interact. energy: 1.520
local terms energy: -572.704494
where:
bonds (distance) C4'-P energy: -109.135
bonds (distance) P-C4' energy: -142.051
flat angles C4'-P-C4' energy: -137.514
flat angles P-C4'-P energy: -78.873
tors. eta vs tors. theta energy: -105.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1457.959510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.959510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.959510 (E_RNA)
where:
Base-Base interactions energy: -961.875
where: short stacking energy: -424.873
Base-Backbone interact. energy: -2.834
local terms energy: -493.250893
where:
bonds (distance) C4'-P energy: -117.164
bonds (distance) P-C4' energy: -119.780
flat angles C4'-P-C4' energy: -121.894
flat angles P-C4'-P energy: -61.393
tors. eta vs tors. theta energy: -73.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -996.357903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.357903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.357903 (E_RNA)
where:
Base-Base interactions energy: -579.128
where: short stacking energy: -293.142
Base-Backbone interact. energy: -2.213
local terms energy: -415.016471
where:
bonds (distance) C4'-P energy: -111.573
bonds (distance) P-C4' energy: -124.227
flat angles C4'-P-C4' energy: -103.932
flat angles P-C4'-P energy: -67.065
tors. eta vs tors. theta energy: -8.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -779.155293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.155293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.155293 (E_RNA)
where:
Base-Base interactions energy: -403.743
where: short stacking energy: -221.876
Base-Backbone interact. energy: 1.087
local terms energy: -376.498669
where:
bonds (distance) C4'-P energy: -88.913
bonds (distance) P-C4' energy: -122.794
flat angles C4'-P-C4' energy: -98.650
flat angles P-C4'-P energy: -70.926
tors. eta vs tors. theta energy: 4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2609.682169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.682169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.682169 (E_RNA)
where:
Base-Base interactions energy: -1800.890
where: short stacking energy: -752.582
Base-Backbone interact. energy: -2.966
local terms energy: -805.825660
where:
bonds (distance) C4'-P energy: -128.114
bonds (distance) P-C4' energy: -166.256
flat angles C4'-P-C4' energy: -174.125
flat angles P-C4'-P energy: -116.822
tors. eta vs tors. theta energy: -220.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2505.437903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.437903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.437903 (E_RNA)
where:
Base-Base interactions energy: -1723.589
where: short stacking energy: -760.989
Base-Backbone interact. energy: -2.654
local terms energy: -779.194398
where:
bonds (distance) C4'-P energy: -146.492
bonds (distance) P-C4' energy: -141.368
flat angles C4'-P-C4' energy: -161.684
flat angles P-C4'-P energy: -103.979
tors. eta vs tors. theta energy: -225.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2402.689334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.689334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.689334 (E_RNA)
where:
Base-Base interactions energy: -1654.837
where: short stacking energy: -705.042
Base-Backbone interact. energy: -4.674
local terms energy: -743.178403
where:
bonds (distance) C4'-P energy: -138.307
bonds (distance) P-C4' energy: -137.389
flat angles C4'-P-C4' energy: -158.696
flat angles P-C4'-P energy: -90.029
tors. eta vs tors. theta energy: -218.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2316.575014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.575014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.575014 (E_RNA)
where:
Base-Base interactions energy: -1562.140
where: short stacking energy: -686.377
Base-Backbone interact. energy: -4.726
local terms energy: -749.709414
where:
bonds (distance) C4'-P energy: -135.019
bonds (distance) P-C4' energy: -146.661
flat angles C4'-P-C4' energy: -168.471
flat angles P-C4'-P energy: -95.649
tors. eta vs tors. theta energy: -203.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2020.685274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.685274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.685274 (E_RNA)
where:
Base-Base interactions energy: -1378.899
where: short stacking energy: -612.668
Base-Backbone interact. energy: -1.428
local terms energy: -640.357423
where:
bonds (distance) C4'-P energy: -115.485
bonds (distance) P-C4' energy: -128.876
flat angles C4'-P-C4' energy: -151.154
flat angles P-C4'-P energy: -75.881
tors. eta vs tors. theta energy: -168.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1899.857756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.857756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.857756 (E_RNA)
where:
Base-Base interactions energy: -1273.649
where: short stacking energy: -552.831
Base-Backbone interact. energy: 0.256
local terms energy: -626.464185
where:
bonds (distance) C4'-P energy: -120.691
bonds (distance) P-C4' energy: -134.454
flat angles C4'-P-C4' energy: -138.041
flat angles P-C4'-P energy: -79.108
tors. eta vs tors. theta energy: -154.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1637.357536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.357536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.357536 (E_RNA)
where:
Base-Base interactions energy: -1067.451
where: short stacking energy: -495.406
Base-Backbone interact. energy: -2.110
local terms energy: -567.797119
where:
bonds (distance) C4'-P energy: -110.528
bonds (distance) P-C4' energy: -122.177
flat angles C4'-P-C4' energy: -143.380
flat angles P-C4'-P energy: -81.031
tors. eta vs tors. theta energy: -110.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1506.264756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.264756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.264756 (E_RNA)
where:
Base-Base interactions energy: -955.878
where: short stacking energy: -465.577
Base-Backbone interact. energy: -1.893
local terms energy: -548.493731
where:
bonds (distance) C4'-P energy: -102.794
bonds (distance) P-C4' energy: -127.599
flat angles C4'-P-C4' energy: -124.798
flat angles P-C4'-P energy: -71.870
tors. eta vs tors. theta energy: -121.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1002.079810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.079810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.079810 (E_RNA)
where:
Base-Base interactions energy: -554.639
where: short stacking energy: -282.383
Base-Backbone interact. energy: -1.644
local terms energy: -445.796770
where:
bonds (distance) C4'-P energy: -112.715
bonds (distance) P-C4' energy: -139.731
flat angles C4'-P-C4' energy: -97.672
flat angles P-C4'-P energy: -61.746
tors. eta vs tors. theta energy: -33.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -840.300655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.300655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.300655 (E_RNA)
where:
Base-Base interactions energy: -437.666
where: short stacking energy: -238.564
Base-Backbone interact. energy: 0.092
local terms energy: -402.726363
where:
bonds (distance) C4'-P energy: -71.777
bonds (distance) P-C4' energy: -137.930
flat angles C4'-P-C4' energy: -119.866
flat angles P-C4'-P energy: -71.556
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2623.511364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.511364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.511364 (E_RNA)
where:
Base-Base interactions energy: -1810.069
where: short stacking energy: -760.520
Base-Backbone interact. energy: -1.888
local terms energy: -811.554207
where:
bonds (distance) C4'-P energy: -160.304
bonds (distance) P-C4' energy: -143.695
flat angles C4'-P-C4' energy: -164.910
flat angles P-C4'-P energy: -119.889
tors. eta vs tors. theta energy: -222.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2515.815249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.815249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.815249 (E_RNA)
where:
Base-Base interactions energy: -1716.475
where: short stacking energy: -767.902
Base-Backbone interact. energy: -4.301
local terms energy: -795.039247
where:
bonds (distance) C4'-P energy: -146.464
bonds (distance) P-C4' energy: -148.125
flat angles C4'-P-C4' energy: -173.510
flat angles P-C4'-P energy: -107.085
tors. eta vs tors. theta energy: -219.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2403.821402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.821402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.821402 (E_RNA)
where:
Base-Base interactions energy: -1665.716
where: short stacking energy: -718.172
Base-Backbone interact. energy: 0.655
local terms energy: -738.759983
where:
bonds (distance) C4'-P energy: -130.142
bonds (distance) P-C4' energy: -139.807
flat angles C4'-P-C4' energy: -158.791
flat angles P-C4'-P energy: -99.522
tors. eta vs tors. theta energy: -210.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2300.143398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.143398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.143398 (E_RNA)
where:
Base-Base interactions energy: -1580.497
where: short stacking energy: -712.573
Base-Backbone interact. energy: 1.872
local terms energy: -721.518605
where:
bonds (distance) C4'-P energy: -120.487
bonds (distance) P-C4' energy: -126.716
flat angles C4'-P-C4' energy: -170.302
flat angles P-C4'-P energy: -98.824
tors. eta vs tors. theta energy: -205.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1974.415647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.415647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.415647 (E_RNA)
where:
Base-Base interactions energy: -1324.773
where: short stacking energy: -553.828
Base-Backbone interact. energy: -2.381
local terms energy: -647.261576
where:
bonds (distance) C4'-P energy: -134.313
bonds (distance) P-C4' energy: -132.471
flat angles C4'-P-C4' energy: -137.352
flat angles P-C4'-P energy: -100.654
tors. eta vs tors. theta energy: -142.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1949.152291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.152291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.152291 (E_RNA)
where:
Base-Base interactions energy: -1285.236
where: short stacking energy: -574.140
Base-Backbone interact. energy: -0.695
local terms energy: -663.221108
where:
bonds (distance) C4'-P energy: -147.016
bonds (distance) P-C4' energy: -129.054
flat angles C4'-P-C4' energy: -139.418
flat angles P-C4'-P energy: -92.994
tors. eta vs tors. theta energy: -154.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1657.837674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.837674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.837674 (E_RNA)
where:
Base-Base interactions energy: -1064.370
where: short stacking energy: -492.123
Base-Backbone interact. energy: -1.011
local terms energy: -592.456666
where:
bonds (distance) C4'-P energy: -115.632
bonds (distance) P-C4' energy: -129.779
flat angles C4'-P-C4' energy: -139.826
flat angles P-C4'-P energy: -87.651
tors. eta vs tors. theta energy: -119.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1492.126023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.126023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.126023 (E_RNA)
where:
Base-Base interactions energy: -944.329
where: short stacking energy: -426.648
Base-Backbone interact. energy: -0.921
local terms energy: -546.876105
where:
bonds (distance) C4'-P energy: -110.768
bonds (distance) P-C4' energy: -131.888
flat angles C4'-P-C4' energy: -132.145
flat angles P-C4'-P energy: -87.847
tors. eta vs tors. theta energy: -84.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -940.507348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.507348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.507348 (E_RNA)
where:
Base-Base interactions energy: -506.266
where: short stacking energy: -290.813
Base-Backbone interact. energy: 7.117
local terms energy: -441.358849
where:
bonds (distance) C4'-P energy: -103.976
bonds (distance) P-C4' energy: -122.352
flat angles C4'-P-C4' energy: -122.233
flat angles P-C4'-P energy: -68.748
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -835.324800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.324800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.324800 (E_RNA)
where:
Base-Base interactions energy: -425.493
where: short stacking energy: -215.918
Base-Backbone interact. energy: 0.317
local terms energy: -410.148821
where:
bonds (distance) C4'-P energy: -122.007
bonds (distance) P-C4' energy: -128.055
flat angles C4'-P-C4' energy: -115.137
flat angles P-C4'-P energy: -49.816
tors. eta vs tors. theta energy: 4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2601.049984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.049984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.049984 (E_RNA)
where:
Base-Base interactions energy: -1795.907
where: short stacking energy: -747.862
Base-Backbone interact. energy: -1.998
local terms energy: -803.144848
where:
bonds (distance) C4'-P energy: -159.006
bonds (distance) P-C4' energy: -145.398
flat angles C4'-P-C4' energy: -170.421
flat angles P-C4'-P energy: -116.277
tors. eta vs tors. theta energy: -212.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2521.056397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.056397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.056397 (E_RNA)
where:
Base-Base interactions energy: -1750.166
where: short stacking energy: -740.486
Base-Backbone interact. energy: -3.594
local terms energy: -767.296107
where:
bonds (distance) C4'-P energy: -146.711
bonds (distance) P-C4' energy: -139.277
flat angles C4'-P-C4' energy: -155.208
flat angles P-C4'-P energy: -99.245
tors. eta vs tors. theta energy: -226.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2390.227560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.227560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.227560 (E_RNA)
where:
Base-Base interactions energy: -1627.802
where: short stacking energy: -701.950
Base-Backbone interact. energy: -2.851
local terms energy: -759.575167
where:
bonds (distance) C4'-P energy: -136.751
bonds (distance) P-C4' energy: -149.747
flat angles C4'-P-C4' energy: -158.217
flat angles P-C4'-P energy: -96.731
tors. eta vs tors. theta energy: -218.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2319.059486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.059486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.059486 (E_RNA)
where:
Base-Base interactions energy: -1567.561
where: short stacking energy: -697.507
Base-Backbone interact. energy: -1.995
local terms energy: -749.503754
where:
bonds (distance) C4'-P energy: -139.639
bonds (distance) P-C4' energy: -132.611
flat angles C4'-P-C4' energy: -166.658
flat angles P-C4'-P energy: -96.466
tors. eta vs tors. theta energy: -214.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2021.103575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.103575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.103575 (E_RNA)
where:
Base-Base interactions energy: -1352.574
where: short stacking energy: -576.977
Base-Backbone interact. energy: -1.378
local terms energy: -667.151503
where:
bonds (distance) C4'-P energy: -126.437
bonds (distance) P-C4' energy: -138.261
flat angles C4'-P-C4' energy: -143.005
flat angles P-C4'-P energy: -97.119
tors. eta vs tors. theta energy: -162.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1915.633823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.633823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.633823 (E_RNA)
where:
Base-Base interactions energy: -1294.086
where: short stacking energy: -571.825
Base-Backbone interact. energy: 0.083
local terms energy: -621.631445
where:
bonds (distance) C4'-P energy: -112.426
bonds (distance) P-C4' energy: -117.434
flat angles C4'-P-C4' energy: -151.794
flat angles P-C4'-P energy: -90.813
tors. eta vs tors. theta energy: -149.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1677.866074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.866074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.866074 (E_RNA)
where:
Base-Base interactions energy: -1104.080
where: short stacking energy: -521.059
Base-Backbone interact. energy: -2.348
local terms energy: -571.438453
where:
bonds (distance) C4'-P energy: -124.141
bonds (distance) P-C4' energy: -120.206
flat angles C4'-P-C4' energy: -144.683
flat angles P-C4'-P energy: -73.134
tors. eta vs tors. theta energy: -109.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1491.915545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.915545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.915545 (E_RNA)
where:
Base-Base interactions energy: -948.554
where: short stacking energy: -420.829
Base-Backbone interact. energy: -2.919
local terms energy: -540.442083
where:
bonds (distance) C4'-P energy: -128.258
bonds (distance) P-C4' energy: -122.486
flat angles C4'-P-C4' energy: -127.912
flat angles P-C4'-P energy: -88.022
tors. eta vs tors. theta energy: -73.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -952.326941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.326941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.326941 (E_RNA)
where:
Base-Base interactions energy: -530.298
where: short stacking energy: -282.980
Base-Backbone interact. energy: -2.509
local terms energy: -419.520119
where:
bonds (distance) C4'-P energy: -110.425
bonds (distance) P-C4' energy: -118.373
flat angles C4'-P-C4' energy: -117.435
flat angles P-C4'-P energy: -56.228
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -804.256390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.256390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.256390 (E_RNA)
where:
Base-Base interactions energy: -417.195
where: short stacking energy: -203.721
Base-Backbone interact. energy: 3.676
local terms energy: -390.737659
where:
bonds (distance) C4'-P energy: -112.993
bonds (distance) P-C4' energy: -144.424
flat angles C4'-P-C4' energy: -93.435
flat angles P-C4'-P energy: -46.344
tors. eta vs tors. theta energy: 6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2562.450391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.450391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.450391 (E_RNA)
where:
Base-Base interactions energy: -1798.648
where: short stacking energy: -769.207
Base-Backbone interact. energy: 2.967
local terms energy: -766.769641
where:
bonds (distance) C4'-P energy: -145.022
bonds (distance) P-C4' energy: -146.680
flat angles C4'-P-C4' energy: -162.187
flat angles P-C4'-P energy: -96.182
tors. eta vs tors. theta energy: -216.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2461.480414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.480414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.480414 (E_RNA)
where:
Base-Base interactions energy: -1674.193
where: short stacking energy: -722.188
Base-Backbone interact. energy: -2.292
local terms energy: -784.995704
where:
bonds (distance) C4'-P energy: -144.054
bonds (distance) P-C4' energy: -145.624
flat angles C4'-P-C4' energy: -163.685
flat angles P-C4'-P energy: -111.901
tors. eta vs tors. theta energy: -219.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2439.410261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.410261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.410261 (E_RNA)
where:
Base-Base interactions energy: -1693.357
where: short stacking energy: -711.838
Base-Backbone interact. energy: -0.865
local terms energy: -745.188924
where:
bonds (distance) C4'-P energy: -135.703
bonds (distance) P-C4' energy: -142.207
flat angles C4'-P-C4' energy: -149.465
flat angles P-C4'-P energy: -100.779
tors. eta vs tors. theta energy: -217.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2319.472132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.472132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.472132 (E_RNA)
where:
Base-Base interactions energy: -1568.324
where: short stacking energy: -680.361
Base-Backbone interact. energy: -1.660
local terms energy: -749.488293
where:
bonds (distance) C4'-P energy: -112.999
bonds (distance) P-C4' energy: -132.289
flat angles C4'-P-C4' energy: -170.733
flat angles P-C4'-P energy: -127.693
tors. eta vs tors. theta energy: -205.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2043.580598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.580598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.580598 (E_RNA)
where:
Base-Base interactions energy: -1419.571
where: short stacking energy: -599.052
Base-Backbone interact. energy: -0.530
local terms energy: -623.480109
where:
bonds (distance) C4'-P energy: -109.436
bonds (distance) P-C4' energy: -148.416
flat angles C4'-P-C4' energy: -130.290
flat angles P-C4'-P energy: -77.954
tors. eta vs tors. theta energy: -157.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1907.071775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.071775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.071775 (E_RNA)
where:
Base-Base interactions energy: -1271.609
where: short stacking energy: -575.658
Base-Backbone interact. energy: 0.847
local terms energy: -636.310582
where:
bonds (distance) C4'-P energy: -117.832
bonds (distance) P-C4' energy: -125.503
flat angles C4'-P-C4' energy: -145.433
flat angles P-C4'-P energy: -88.121
tors. eta vs tors. theta energy: -159.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1731.469567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.469567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.469567 (E_RNA)
where:
Base-Base interactions energy: -1163.763
where: short stacking energy: -531.371
Base-Backbone interact. energy: -2.922
local terms energy: -564.784764
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -104.884
flat angles C4'-P-C4' energy: -131.272
flat angles P-C4'-P energy: -90.612
tors. eta vs tors. theta energy: -133.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1532.178298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.178298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.178298 (E_RNA)
where:
Base-Base interactions energy: -977.228
where: short stacking energy: -471.020
Base-Backbone interact. energy: 2.777
local terms energy: -557.726676
where:
bonds (distance) C4'-P energy: -108.627
bonds (distance) P-C4' energy: -126.607
flat angles C4'-P-C4' energy: -136.678
flat angles P-C4'-P energy: -70.639
tors. eta vs tors. theta energy: -115.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -965.758727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.758727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.758727 (E_RNA)
where:
Base-Base interactions energy: -552.919
where: short stacking energy: -272.042
Base-Backbone interact. energy: 0.536
local terms energy: -413.376364
where:
bonds (distance) C4'-P energy: -90.553
bonds (distance) P-C4' energy: -139.513
flat angles C4'-P-C4' energy: -101.119
flat angles P-C4'-P energy: -61.486
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -828.718759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.718759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.718759 (E_RNA)
where:
Base-Base interactions energy: -451.130
where: short stacking energy: -244.534
Base-Backbone interact. energy: -1.713
local terms energy: -375.876396
where:
bonds (distance) C4'-P energy: -109.503
bonds (distance) P-C4' energy: -125.953
flat angles C4'-P-C4' energy: -105.188
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: 4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2525.264699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.264699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.264699 (E_RNA)
where:
Base-Base interactions energy: -1739.082
where: short stacking energy: -751.350
Base-Backbone interact. energy: -1.958
local terms energy: -784.224561
where:
bonds (distance) C4'-P energy: -140.113
bonds (distance) P-C4' energy: -138.568
flat angles C4'-P-C4' energy: -169.602
flat angles P-C4'-P energy: -123.442
tors. eta vs tors. theta energy: -212.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2541.900146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.900146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.900146 (E_RNA)
where:
Base-Base interactions energy: -1781.835
where: short stacking energy: -748.078
Base-Backbone interact. energy: -4.992
local terms energy: -755.072950
where:
bonds (distance) C4'-P energy: -134.125
bonds (distance) P-C4' energy: -147.768
flat angles C4'-P-C4' energy: -154.607
flat angles P-C4'-P energy: -105.300
tors. eta vs tors. theta energy: -213.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2443.028461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.028461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.028461 (E_RNA)
where:
Base-Base interactions energy: -1678.701
where: short stacking energy: -714.749
Base-Backbone interact. energy: -4.540
local terms energy: -759.786831
where:
bonds (distance) C4'-P energy: -141.184
bonds (distance) P-C4' energy: -139.972
flat angles C4'-P-C4' energy: -155.095
flat angles P-C4'-P energy: -108.380
tors. eta vs tors. theta energy: -215.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2335.964304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.964304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.964304 (E_RNA)
where:
Base-Base interactions energy: -1582.894
where: short stacking energy: -704.483
Base-Backbone interact. energy: -0.189
local terms energy: -752.881316
where:
bonds (distance) C4'-P energy: -124.282
bonds (distance) P-C4' energy: -145.226
flat angles C4'-P-C4' energy: -159.274
flat angles P-C4'-P energy: -116.689
tors. eta vs tors. theta energy: -207.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2111.932824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.932824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.932824 (E_RNA)
where:
Base-Base interactions energy: -1451.289
where: short stacking energy: -606.514
Base-Backbone interact. energy: -1.103
local terms energy: -659.541654
where:
bonds (distance) C4'-P energy: -130.909
bonds (distance) P-C4' energy: -121.496
flat angles C4'-P-C4' energy: -144.017
flat angles P-C4'-P energy: -103.496
tors. eta vs tors. theta energy: -159.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1897.438139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.438139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.438139 (E_RNA)
where:
Base-Base interactions energy: -1275.134
where: short stacking energy: -575.474
Base-Backbone interact. energy: -2.647
local terms energy: -619.657946
where:
bonds (distance) C4'-P energy: -113.725
bonds (distance) P-C4' energy: -111.855
flat angles C4'-P-C4' energy: -152.509
flat angles P-C4'-P energy: -77.757
tors. eta vs tors. theta energy: -163.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1769.216955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.216955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.216955 (E_RNA)
where:
Base-Base interactions energy: -1193.296
where: short stacking energy: -522.716
Base-Backbone interact. energy: -1.247
local terms energy: -574.674322
where:
bonds (distance) C4'-P energy: -124.271
bonds (distance) P-C4' energy: -118.439
flat angles C4'-P-C4' energy: -123.277
flat angles P-C4'-P energy: -88.390
tors. eta vs tors. theta energy: -120.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1525.801563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.801563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.801563 (E_RNA)
where:
Base-Base interactions energy: -982.095
where: short stacking energy: -470.585
Base-Backbone interact. energy: 8.447
local terms energy: -552.153207
where:
bonds (distance) C4'-P energy: -129.320
bonds (distance) P-C4' energy: -112.439
flat angles C4'-P-C4' energy: -118.738
flat angles P-C4'-P energy: -85.800
tors. eta vs tors. theta energy: -105.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1057.260099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.260099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.260099 (E_RNA)
where:
Base-Base interactions energy: -590.031
where: short stacking energy: -295.553
Base-Backbone interact. energy: -0.834
local terms energy: -466.395348
where:
bonds (distance) C4'-P energy: -119.723
bonds (distance) P-C4' energy: -129.808
flat angles C4'-P-C4' energy: -117.392
flat angles P-C4'-P energy: -56.217
tors. eta vs tors. theta energy: -43.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -861.019485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.019485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.019485 (E_RNA)
where:
Base-Base interactions energy: -452.189
where: short stacking energy: -261.745
Base-Backbone interact. energy: 0.468
local terms energy: -409.298739
where:
bonds (distance) C4'-P energy: -91.440
bonds (distance) P-C4' energy: -119.424
flat angles C4'-P-C4' energy: -104.647
flat angles P-C4'-P energy: -70.478
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2578.820864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.820864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.820864 (E_RNA)
where:
Base-Base interactions energy: -1761.451
where: short stacking energy: -749.632
Base-Backbone interact. energy: 0.436
local terms energy: -817.806190
where:
bonds (distance) C4'-P energy: -145.569
bonds (distance) P-C4' energy: -145.338
flat angles C4'-P-C4' energy: -168.031
flat angles P-C4'-P energy: -129.460
tors. eta vs tors. theta energy: -229.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2526.687755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.687755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.687755 (E_RNA)
where:
Base-Base interactions energy: -1782.907
where: short stacking energy: -744.101
Base-Backbone interact. energy: -0.636
local terms energy: -743.145171
where:
bonds (distance) C4'-P energy: -125.903
bonds (distance) P-C4' energy: -132.923
flat angles C4'-P-C4' energy: -154.880
flat angles P-C4'-P energy: -105.123
tors. eta vs tors. theta energy: -224.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2425.647545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.647545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.647545 (E_RNA)
where:
Base-Base interactions energy: -1681.258
where: short stacking energy: -729.484
Base-Backbone interact. energy: -0.871
local terms energy: -743.518787
where:
bonds (distance) C4'-P energy: -128.881
bonds (distance) P-C4' energy: -134.399
flat angles C4'-P-C4' energy: -150.806
flat angles P-C4'-P energy: -105.877
tors. eta vs tors. theta energy: -223.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2300.887735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.887735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.887735 (E_RNA)
where:
Base-Base interactions energy: -1573.490
where: short stacking energy: -696.181
Base-Backbone interact. energy: -1.204
local terms energy: -726.193720
where:
bonds (distance) C4'-P energy: -136.425
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -146.590
flat angles P-C4'-P energy: -109.448
tors. eta vs tors. theta energy: -207.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2118.660812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.660812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.660812 (E_RNA)
where:
Base-Base interactions energy: -1441.734
where: short stacking energy: -649.707
Base-Backbone interact. energy: -3.623
local terms energy: -673.303819
where:
bonds (distance) C4'-P energy: -132.108
bonds (distance) P-C4' energy: -126.595
flat angles C4'-P-C4' energy: -144.288
flat angles P-C4'-P energy: -91.774
tors. eta vs tors. theta energy: -178.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1883.917032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.917032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.917032 (E_RNA)
where:
Base-Base interactions energy: -1234.155
where: short stacking energy: -556.104
Base-Backbone interact. energy: 1.173
local terms energy: -650.934696
where:
bonds (distance) C4'-P energy: -125.065
bonds (distance) P-C4' energy: -144.508
flat angles C4'-P-C4' energy: -139.989
flat angles P-C4'-P energy: -89.711
tors. eta vs tors. theta energy: -151.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1758.651895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.651895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.651895 (E_RNA)
where:
Base-Base interactions energy: -1161.036
where: short stacking energy: -520.094
Base-Backbone interact. energy: -2.945
local terms energy: -594.671018
where:
bonds (distance) C4'-P energy: -102.818
bonds (distance) P-C4' energy: -145.920
flat angles C4'-P-C4' energy: -132.298
flat angles P-C4'-P energy: -73.970
tors. eta vs tors. theta energy: -139.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1517.931348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.931348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.931348 (E_RNA)
where:
Base-Base interactions energy: -933.706
where: short stacking energy: -418.767
Base-Backbone interact. energy: -3.485
local terms energy: -580.740113
where:
bonds (distance) C4'-P energy: -123.742
bonds (distance) P-C4' energy: -134.076
flat angles C4'-P-C4' energy: -124.607
flat angles P-C4'-P energy: -94.025
tors. eta vs tors. theta energy: -104.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -993.764184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.764184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.764184 (E_RNA)
where:
Base-Base interactions energy: -544.100
where: short stacking energy: -288.054
Base-Backbone interact. energy: 2.525
local terms energy: -452.189383
where:
bonds (distance) C4'-P energy: -112.881
bonds (distance) P-C4' energy: -126.758
flat angles C4'-P-C4' energy: -116.177
flat angles P-C4'-P energy: -72.146
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -874.125925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.125925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.125925 (E_RNA)
where:
Base-Base interactions energy: -439.030
where: short stacking energy: -255.459
Base-Backbone interact. energy: 2.490
local terms energy: -437.586374
where:
bonds (distance) C4'-P energy: -114.168
bonds (distance) P-C4' energy: -130.734
flat angles C4'-P-C4' energy: -111.940
flat angles P-C4'-P energy: -60.547
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2553.967361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.967361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.967361 (E_RNA)
where:
Base-Base interactions energy: -1739.430
where: short stacking energy: -752.286
Base-Backbone interact. energy: -3.445
local terms energy: -811.092759
where:
bonds (distance) C4'-P energy: -153.307
bonds (distance) P-C4' energy: -147.671
flat angles C4'-P-C4' energy: -168.404
flat angles P-C4'-P energy: -114.276
tors. eta vs tors. theta energy: -227.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2541.255043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.255043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.255043 (E_RNA)
where:
Base-Base interactions energy: -1764.942
where: short stacking energy: -726.222
Base-Backbone interact. energy: -3.456
local terms energy: -772.857268
where:
bonds (distance) C4'-P energy: -139.513
bonds (distance) P-C4' energy: -148.461
flat angles C4'-P-C4' energy: -151.056
flat angles P-C4'-P energy: -116.977
tors. eta vs tors. theta energy: -216.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2414.525944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.525944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.525944 (E_RNA)
where:
Base-Base interactions energy: -1668.133
where: short stacking energy: -713.412
Base-Backbone interact. energy: -3.348
local terms energy: -743.044571
where:
bonds (distance) C4'-P energy: -148.708
bonds (distance) P-C4' energy: -127.670
flat angles C4'-P-C4' energy: -146.053
flat angles P-C4'-P energy: -109.865
tors. eta vs tors. theta energy: -210.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2278.566968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.566968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.566968 (E_RNA)
where:
Base-Base interactions energy: -1554.546
where: short stacking energy: -692.904
Base-Backbone interact. energy: -3.412
local terms energy: -720.608460
where:
bonds (distance) C4'-P energy: -134.099
bonds (distance) P-C4' energy: -135.097
flat angles C4'-P-C4' energy: -161.647
flat angles P-C4'-P energy: -90.656
tors. eta vs tors. theta energy: -199.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2092.966425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.966425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.966425 (E_RNA)
where:
Base-Base interactions energy: -1437.602
where: short stacking energy: -646.821
Base-Backbone interact. energy: 2.912
local terms energy: -658.276297
where:
bonds (distance) C4'-P energy: -131.203
bonds (distance) P-C4' energy: -119.829
flat angles C4'-P-C4' energy: -143.636
flat angles P-C4'-P energy: -85.164
tors. eta vs tors. theta energy: -178.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1816.394310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.394310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.394310 (E_RNA)
where:
Base-Base interactions energy: -1208.833
where: short stacking energy: -505.086
Base-Backbone interact. energy: 2.077
local terms energy: -609.638304
where:
bonds (distance) C4'-P energy: -130.252
bonds (distance) P-C4' energy: -126.046
flat angles C4'-P-C4' energy: -129.808
flat angles P-C4'-P energy: -88.457
tors. eta vs tors. theta energy: -135.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1749.781621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.781621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.781621 (E_RNA)
where:
Base-Base interactions energy: -1182.595
where: short stacking energy: -509.262
Base-Backbone interact. energy: -3.451
local terms energy: -563.735664
where:
bonds (distance) C4'-P energy: -117.595
bonds (distance) P-C4' energy: -116.176
flat angles C4'-P-C4' energy: -128.900
flat angles P-C4'-P energy: -78.553
tors. eta vs tors. theta energy: -122.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1475.168888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.168888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.168888 (E_RNA)
where:
Base-Base interactions energy: -915.306
where: short stacking energy: -453.568
Base-Backbone interact. energy: 1.105
local terms energy: -560.967763
where:
bonds (distance) C4'-P energy: -101.995
bonds (distance) P-C4' energy: -136.539
flat angles C4'-P-C4' energy: -133.996
flat angles P-C4'-P energy: -76.726
tors. eta vs tors. theta energy: -111.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -943.611377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.611377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.611377 (E_RNA)
where:
Base-Base interactions energy: -505.569
where: short stacking energy: -266.737
Base-Backbone interact. energy: 3.269
local terms energy: -441.310944
where:
bonds (distance) C4'-P energy: -119.388
bonds (distance) P-C4' energy: -120.684
flat angles C4'-P-C4' energy: -105.644
flat angles P-C4'-P energy: -61.330
tors. eta vs tors. theta energy: -34.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -853.181333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.181333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.181333 (E_RNA)
where:
Base-Base interactions energy: -480.230
where: short stacking energy: -239.100
Base-Backbone interact. energy: 3.762
local terms energy: -376.713241
where:
bonds (distance) C4'-P energy: -103.246
bonds (distance) P-C4' energy: -106.319
flat angles C4'-P-C4' energy: -111.229
flat angles P-C4'-P energy: -59.776
tors. eta vs tors. theta energy: 3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2528.045153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.045153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.045153 (E_RNA)
where:
Base-Base interactions energy: -1756.656
where: short stacking energy: -748.441
Base-Backbone interact. energy: -3.273
local terms energy: -768.115797
where:
bonds (distance) C4'-P energy: -145.688
bonds (distance) P-C4' energy: -146.111
flat angles C4'-P-C4' energy: -154.785
flat angles P-C4'-P energy: -113.318
tors. eta vs tors. theta energy: -208.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2496.599567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.599567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.599567 (E_RNA)
where:
Base-Base interactions energy: -1728.158
where: short stacking energy: -748.674
Base-Backbone interact. energy: -2.396
local terms energy: -766.045832
where:
bonds (distance) C4'-P energy: -126.941
bonds (distance) P-C4' energy: -144.997
flat angles C4'-P-C4' energy: -168.674
flat angles P-C4'-P energy: -110.304
tors. eta vs tors. theta energy: -215.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2463.072329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.072329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.072329 (E_RNA)
where:
Base-Base interactions energy: -1696.008
where: short stacking energy: -753.735
Base-Backbone interact. energy: -3.087
local terms energy: -763.977247
where:
bonds (distance) C4'-P energy: -158.120
bonds (distance) P-C4' energy: -129.379
flat angles C4'-P-C4' energy: -153.582
flat angles P-C4'-P energy: -106.699
tors. eta vs tors. theta energy: -216.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2254.883105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.883105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.883105 (E_RNA)
where:
Base-Base interactions energy: -1528.200
where: short stacking energy: -685.944
Base-Backbone interact. energy: -0.044
local terms energy: -726.638955
where:
bonds (distance) C4'-P energy: -127.761
bonds (distance) P-C4' energy: -138.196
flat angles C4'-P-C4' energy: -154.142
flat angles P-C4'-P energy: -106.269
tors. eta vs tors. theta energy: -200.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2109.325755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.325755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.325755 (E_RNA)
where:
Base-Base interactions energy: -1419.743
where: short stacking energy: -620.542
Base-Backbone interact. energy: -1.564
local terms energy: -688.018058
where:
bonds (distance) C4'-P energy: -133.201
bonds (distance) P-C4' energy: -126.353
flat angles C4'-P-C4' energy: -149.176
flat angles P-C4'-P energy: -101.957
tors. eta vs tors. theta energy: -177.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1854.798552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.798552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.798552 (E_RNA)
where:
Base-Base interactions energy: -1215.349
where: short stacking energy: -566.306
Base-Backbone interact. energy: -3.374
local terms energy: -636.075541
where:
bonds (distance) C4'-P energy: -125.022
bonds (distance) P-C4' energy: -123.897
flat angles C4'-P-C4' energy: -150.588
flat angles P-C4'-P energy: -94.860
tors. eta vs tors. theta energy: -141.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1792.462061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.462061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.462061 (E_RNA)
where:
Base-Base interactions energy: -1193.761
where: short stacking energy: -527.163
Base-Backbone interact. energy: 1.147
local terms energy: -599.848084
where:
bonds (distance) C4'-P energy: -119.181
bonds (distance) P-C4' energy: -127.248
flat angles C4'-P-C4' energy: -140.979
flat angles P-C4'-P energy: -88.748
tors. eta vs tors. theta energy: -123.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1464.273474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.273474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.273474 (E_RNA)
where:
Base-Base interactions energy: -924.415
where: short stacking energy: -444.583
Base-Backbone interact. energy: -3.599
local terms energy: -536.259989
where:
bonds (distance) C4'-P energy: -105.645
bonds (distance) P-C4' energy: -130.780
flat angles C4'-P-C4' energy: -131.056
flat angles P-C4'-P energy: -79.834
tors. eta vs tors. theta energy: -88.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1003.267426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.267426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.267426 (E_RNA)
where:
Base-Base interactions energy: -561.572
where: short stacking energy: -309.561
Base-Backbone interact. energy: 5.496
local terms energy: -447.190915
where:
bonds (distance) C4'-P energy: -98.298
bonds (distance) P-C4' energy: -127.161
flat angles C4'-P-C4' energy: -109.746
flat angles P-C4'-P energy: -74.129
tors. eta vs tors. theta energy: -37.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -856.489395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.489395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.489395 (E_RNA)
where:
Base-Base interactions energy: -461.667
where: short stacking energy: -248.125
Base-Backbone interact. energy: -1.017
local terms energy: -393.805469
where:
bonds (distance) C4'-P energy: -105.668
bonds (distance) P-C4' energy: -113.085
flat angles C4'-P-C4' energy: -98.259
flat angles P-C4'-P energy: -65.960
tors. eta vs tors. theta energy: -10.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2562.513673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.513673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.513673 (E_RNA)
where:
Base-Base interactions energy: -1767.807
where: short stacking energy: -759.581
Base-Backbone interact. energy: -4.372
local terms energy: -790.334888
where:
bonds (distance) C4'-P energy: -153.983
bonds (distance) P-C4' energy: -141.499
flat angles C4'-P-C4' energy: -165.246
flat angles P-C4'-P energy: -103.985
tors. eta vs tors. theta energy: -225.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2503.564493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.564493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.564493 (E_RNA)
where:
Base-Base interactions energy: -1718.582
where: short stacking energy: -720.296
Base-Backbone interact. energy: -3.579
local terms energy: -781.402961
where:
bonds (distance) C4'-P energy: -140.897
bonds (distance) P-C4' energy: -153.780
flat angles C4'-P-C4' energy: -161.618
flat angles P-C4'-P energy: -106.013
tors. eta vs tors. theta energy: -219.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2450.852420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.852420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.852420 (E_RNA)
where:
Base-Base interactions energy: -1661.118
where: short stacking energy: -732.456
Base-Backbone interact. energy: -3.115
local terms energy: -786.620078
where:
bonds (distance) C4'-P energy: -146.614
bonds (distance) P-C4' energy: -153.680
flat angles C4'-P-C4' energy: -166.855
flat angles P-C4'-P energy: -103.924
tors. eta vs tors. theta energy: -215.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2230.799044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.799044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.799044 (E_RNA)
where:
Base-Base interactions energy: -1521.594
where: short stacking energy: -673.369
Base-Backbone interact. energy: -0.791
local terms energy: -708.414537
where:
bonds (distance) C4'-P energy: -118.915
bonds (distance) P-C4' energy: -130.894
flat angles C4'-P-C4' energy: -150.622
flat angles P-C4'-P energy: -103.102
tors. eta vs tors. theta energy: -204.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2060.143867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.143867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.143867 (E_RNA)
where:
Base-Base interactions energy: -1418.583
where: short stacking energy: -582.405
Base-Backbone interact. energy: -1.587
local terms energy: -639.973442
where:
bonds (distance) C4'-P energy: -124.305
bonds (distance) P-C4' energy: -136.125
flat angles C4'-P-C4' energy: -139.031
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -163.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1852.559106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.559106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.559106 (E_RNA)
where:
Base-Base interactions energy: -1262.325
where: short stacking energy: -564.164
Base-Backbone interact. energy: -2.508
local terms energy: -587.725946
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -126.024
flat angles C4'-P-C4' energy: -124.151
flat angles P-C4'-P energy: -92.858
tors. eta vs tors. theta energy: -140.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1749.143443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.143443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.143443 (E_RNA)
where:
Base-Base interactions energy: -1152.398
where: short stacking energy: -504.397
Base-Backbone interact. energy: -3.730
local terms energy: -593.015171
where:
bonds (distance) C4'-P energy: -127.216
bonds (distance) P-C4' energy: -124.472
flat angles C4'-P-C4' energy: -130.163
flat angles P-C4'-P energy: -81.254
tors. eta vs tors. theta energy: -129.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1519.449755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.449755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.449755 (E_RNA)
where:
Base-Base interactions energy: -999.606
where: short stacking energy: -462.661
Base-Backbone interact. energy: -2.817
local terms energy: -517.026986
where:
bonds (distance) C4'-P energy: -113.451
bonds (distance) P-C4' energy: -117.552
flat angles C4'-P-C4' energy: -110.326
flat angles P-C4'-P energy: -75.840
tors. eta vs tors. theta energy: -99.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -990.190229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.190229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.190229 (E_RNA)
where:
Base-Base interactions energy: -519.970
where: short stacking energy: -268.505
Base-Backbone interact. energy: -1.618
local terms energy: -468.602179
where:
bonds (distance) C4'-P energy: -131.271
bonds (distance) P-C4' energy: -99.447
flat angles C4'-P-C4' energy: -129.555
flat angles P-C4'-P energy: -67.438
tors. eta vs tors. theta energy: -40.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -853.570857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.570857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.570857 (E_RNA)
where:
Base-Base interactions energy: -449.898
where: short stacking energy: -219.205
Base-Backbone interact. energy: -0.486
local terms energy: -403.186449
where:
bonds (distance) C4'-P energy: -113.009
bonds (distance) P-C4' energy: -107.076
flat angles C4'-P-C4' energy: -109.806
flat angles P-C4'-P energy: -51.711
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2579.148674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.148674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.148674 (E_RNA)
where:
Base-Base interactions energy: -1766.033
where: short stacking energy: -769.162
Base-Backbone interact. energy: 0.073
local terms energy: -813.188255
where:
bonds (distance) C4'-P energy: -159.060
bonds (distance) P-C4' energy: -143.117
flat angles C4'-P-C4' energy: -164.526
flat angles P-C4'-P energy: -111.532
tors. eta vs tors. theta energy: -234.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2448.811824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.811824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.811824 (E_RNA)
where:
Base-Base interactions energy: -1679.738
where: short stacking energy: -746.812
Base-Backbone interact. energy: -2.035
local terms energy: -767.038432
where:
bonds (distance) C4'-P energy: -133.566
bonds (distance) P-C4' energy: -148.038
flat angles C4'-P-C4' energy: -166.183
flat angles P-C4'-P energy: -105.919
tors. eta vs tors. theta energy: -213.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2419.016013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.016013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.016013 (E_RNA)
where:
Base-Base interactions energy: -1676.695
where: short stacking energy: -738.623
Base-Backbone interact. energy: 2.614
local terms energy: -744.934839
where:
bonds (distance) C4'-P energy: -131.556
bonds (distance) P-C4' energy: -128.616
flat angles C4'-P-C4' energy: -157.556
flat angles P-C4'-P energy: -112.010
tors. eta vs tors. theta energy: -215.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2308.131042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.131042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.131042 (E_RNA)
where:
Base-Base interactions energy: -1569.725
where: short stacking energy: -690.365
Base-Backbone interact. energy: 0.733
local terms energy: -739.139836
where:
bonds (distance) C4'-P energy: -128.465
bonds (distance) P-C4' energy: -134.592
flat angles C4'-P-C4' energy: -148.731
flat angles P-C4'-P energy: -109.127
tors. eta vs tors. theta energy: -218.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2092.922403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.922403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.922403 (E_RNA)
where:
Base-Base interactions energy: -1417.909
where: short stacking energy: -604.186
Base-Backbone interact. energy: -1.985
local terms energy: -673.027968
where:
bonds (distance) C4'-P energy: -116.380
bonds (distance) P-C4' energy: -138.067
flat angles C4'-P-C4' energy: -156.507
flat angles P-C4'-P energy: -97.927
tors. eta vs tors. theta energy: -164.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1837.961993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.961993 (E_RNA)
where:
Base-Base interactions energy: -1248.253
where: short stacking energy: -566.328
Base-Backbone interact. energy: -2.690
local terms energy: -587.018943
where:
bonds (distance) C4'-P energy: -110.006
bonds (distance) P-C4' energy: -113.906
flat angles C4'-P-C4' energy: -139.990
flat angles P-C4'-P energy: -75.703
tors. eta vs tors. theta energy: -147.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1736.553757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.553757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.553757 (E_RNA)
where:
Base-Base interactions energy: -1160.555
where: short stacking energy: -538.812
Base-Backbone interact. energy: 1.379
local terms energy: -577.378016
where:
bonds (distance) C4'-P energy: -112.030
bonds (distance) P-C4' energy: -120.557
flat angles C4'-P-C4' energy: -125.984
flat angles P-C4'-P energy: -84.476
tors. eta vs tors. theta energy: -134.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1585.514522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.514522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.514522 (E_RNA)
where:
Base-Base interactions energy: -988.501
where: short stacking energy: -443.679
Base-Backbone interact. energy: 0.081
local terms energy: -597.094606
where:
bonds (distance) C4'-P energy: -129.855
bonds (distance) P-C4' energy: -129.661
flat angles C4'-P-C4' energy: -144.548
flat angles P-C4'-P energy: -86.847
tors. eta vs tors. theta energy: -106.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -979.387994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.387994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.387994 (E_RNA)
where:
Base-Base interactions energy: -539.162
where: short stacking energy: -291.260
Base-Backbone interact. energy: 4.255
local terms energy: -444.480962
where:
bonds (distance) C4'-P energy: -127.336
bonds (distance) P-C4' energy: -125.964
flat angles C4'-P-C4' energy: -108.309
flat angles P-C4'-P energy: -60.721
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -858.702989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.702989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.702989 (E_RNA)
where:
Base-Base interactions energy: -453.526
where: short stacking energy: -226.748
Base-Backbone interact. energy: 1.979
local terms energy: -407.156310
where:
bonds (distance) C4'-P energy: -103.059
bonds (distance) P-C4' energy: -138.424
flat angles C4'-P-C4' energy: -108.492
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: 1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2570.323803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.323803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.323803 (E_RNA)
where:
Base-Base interactions energy: -1785.277
where: short stacking energy: -776.003
Base-Backbone interact. energy: -1.521
local terms energy: -783.526062
where:
bonds (distance) C4'-P energy: -136.789
bonds (distance) P-C4' energy: -144.139
flat angles C4'-P-C4' energy: -168.711
flat angles P-C4'-P energy: -111.713
tors. eta vs tors. theta energy: -222.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2468.768125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.768125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.768125 (E_RNA)
where:
Base-Base interactions energy: -1683.553
where: short stacking energy: -741.013
Base-Backbone interact. energy: -0.835
local terms energy: -784.381029
where:
bonds (distance) C4'-P energy: -122.628
bonds (distance) P-C4' energy: -149.187
flat angles C4'-P-C4' energy: -178.490
flat angles P-C4'-P energy: -111.978
tors. eta vs tors. theta energy: -222.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2398.771177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.771177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.771177 (E_RNA)
where:
Base-Base interactions energy: -1658.652
where: short stacking energy: -719.368
Base-Backbone interact. energy: -3.740
local terms energy: -736.378892
where:
bonds (distance) C4'-P energy: -138.494
bonds (distance) P-C4' energy: -139.793
flat angles C4'-P-C4' energy: -160.115
flat angles P-C4'-P energy: -99.133
tors. eta vs tors. theta energy: -198.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2274.134875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.134875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.134875 (E_RNA)
where:
Base-Base interactions energy: -1548.565
where: short stacking energy: -665.084
Base-Backbone interact. energy: 2.148
local terms energy: -727.717548
where:
bonds (distance) C4'-P energy: -120.787
bonds (distance) P-C4' energy: -133.073
flat angles C4'-P-C4' energy: -157.349
flat angles P-C4'-P energy: -112.507
tors. eta vs tors. theta energy: -204.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2114.436104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.436104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.436104 (E_RNA)
where:
Base-Base interactions energy: -1460.871
where: short stacking energy: -629.993
Base-Backbone interact. energy: 0.091
local terms energy: -653.655875
where:
bonds (distance) C4'-P energy: -128.376
bonds (distance) P-C4' energy: -138.762
flat angles C4'-P-C4' energy: -140.974
flat angles P-C4'-P energy: -84.357
tors. eta vs tors. theta energy: -161.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1849.201387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.201387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.201387 (E_RNA)
where:
Base-Base interactions energy: -1226.051
where: short stacking energy: -530.113
Base-Backbone interact. energy: -4.886
local terms energy: -618.263913
where:
bonds (distance) C4'-P energy: -118.729
bonds (distance) P-C4' energy: -120.628
flat angles C4'-P-C4' energy: -145.635
flat angles P-C4'-P energy: -96.835
tors. eta vs tors. theta energy: -136.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1700.845733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.845733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.845733 (E_RNA)
where:
Base-Base interactions energy: -1109.768
where: short stacking energy: -508.370
Base-Backbone interact. energy: -2.578
local terms energy: -588.500163
where:
bonds (distance) C4'-P energy: -132.071
bonds (distance) P-C4' energy: -125.002
flat angles C4'-P-C4' energy: -130.450
flat angles P-C4'-P energy: -87.277
tors. eta vs tors. theta energy: -113.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1450.599741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.599741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.599741 (E_RNA)
where:
Base-Base interactions energy: -929.406
where: short stacking energy: -425.622
Base-Backbone interact. energy: 3.235
local terms energy: -524.428869
where:
bonds (distance) C4'-P energy: -110.994
bonds (distance) P-C4' energy: -114.146
flat angles C4'-P-C4' energy: -132.289
flat angles P-C4'-P energy: -74.151
tors. eta vs tors. theta energy: -92.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1002.550239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.550239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.550239 (E_RNA)
where:
Base-Base interactions energy: -556.796
where: short stacking energy: -315.075
Base-Backbone interact. energy: -0.456
local terms energy: -445.298974
where:
bonds (distance) C4'-P energy: -120.742
bonds (distance) P-C4' energy: -130.088
flat angles C4'-P-C4' energy: -85.174
flat angles P-C4'-P energy: -65.094
tors. eta vs tors. theta energy: -44.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -853.448733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.448733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.448733 (E_RNA)
where:
Base-Base interactions energy: -456.035
where: short stacking energy: -233.975
Base-Backbone interact. energy: -2.101
local terms energy: -395.312536
where:
bonds (distance) C4'-P energy: -120.260
bonds (distance) P-C4' energy: -108.674
flat angles C4'-P-C4' energy: -89.857
flat angles P-C4'-P energy: -65.847
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2564.416444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.416444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.416444 (E_RNA)
where:
Base-Base interactions energy: -1754.354
where: short stacking energy: -778.821
Base-Backbone interact. energy: -0.708
local terms energy: -809.354717
where:
bonds (distance) C4'-P energy: -138.359
bonds (distance) P-C4' energy: -146.851
flat angles C4'-P-C4' energy: -169.975
flat angles P-C4'-P energy: -122.533
tors. eta vs tors. theta energy: -231.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2459.600421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.600421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.600421 (E_RNA)
where:
Base-Base interactions energy: -1701.240
where: short stacking energy: -722.935
Base-Backbone interact. energy: -4.029
local terms energy: -754.331161
where:
bonds (distance) C4'-P energy: -145.982
bonds (distance) P-C4' energy: -134.791
flat angles C4'-P-C4' energy: -154.129
flat angles P-C4'-P energy: -101.260
tors. eta vs tors. theta energy: -218.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2385.303033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.303033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.303033 (E_RNA)
where:
Base-Base interactions energy: -1639.341
where: short stacking energy: -693.685
Base-Backbone interact. energy: -4.920
local terms energy: -741.042491
where:
bonds (distance) C4'-P energy: -144.821
bonds (distance) P-C4' energy: -140.678
flat angles C4'-P-C4' energy: -147.445
flat angles P-C4'-P energy: -104.704
tors. eta vs tors. theta energy: -203.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2283.236223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.236223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.236223 (E_RNA)
where:
Base-Base interactions energy: -1542.340
where: short stacking energy: -658.866
Base-Backbone interact. energy: -0.308
local terms energy: -740.587818
where:
bonds (distance) C4'-P energy: -138.052
bonds (distance) P-C4' energy: -140.959
flat angles C4'-P-C4' energy: -163.722
flat angles P-C4'-P energy: -109.981
tors. eta vs tors. theta energy: -187.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2100.175428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.175428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.175428 (E_RNA)
where:
Base-Base interactions energy: -1407.682
where: short stacking energy: -594.286
Base-Backbone interact. energy: 1.673
local terms energy: -694.166461
where:
bonds (distance) C4'-P energy: -134.269
bonds (distance) P-C4' energy: -155.212
flat angles C4'-P-C4' energy: -151.336
flat angles P-C4'-P energy: -87.629
tors. eta vs tors. theta energy: -165.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1909.277074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.277074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.277074 (E_RNA)
where:
Base-Base interactions energy: -1268.679
where: short stacking energy: -536.887
Base-Backbone interact. energy: -2.135
local terms energy: -638.462895
where:
bonds (distance) C4'-P energy: -135.047
bonds (distance) P-C4' energy: -126.783
flat angles C4'-P-C4' energy: -135.140
flat angles P-C4'-P energy: -107.389
tors. eta vs tors. theta energy: -134.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1740.131963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.131963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.131963 (E_RNA)
where:
Base-Base interactions energy: -1142.559
where: short stacking energy: -531.716
Base-Backbone interact. energy: -1.717
local terms energy: -595.855875
where:
bonds (distance) C4'-P energy: -121.762
bonds (distance) P-C4' energy: -99.366
flat angles C4'-P-C4' energy: -144.355
flat angles P-C4'-P energy: -83.028
tors. eta vs tors. theta energy: -147.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1545.074849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.074849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.074849 (E_RNA)
where:
Base-Base interactions energy: -962.126
where: short stacking energy: -452.326
Base-Backbone interact. energy: 0.845
local terms energy: -583.793577
where:
bonds (distance) C4'-P energy: -134.667
bonds (distance) P-C4' energy: -124.895
flat angles C4'-P-C4' energy: -127.559
flat angles P-C4'-P energy: -91.559
tors. eta vs tors. theta energy: -105.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -991.548991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.548991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.548991 (E_RNA)
where:
Base-Base interactions energy: -519.903
where: short stacking energy: -276.447
Base-Backbone interact. energy: -3.269
local terms energy: -468.376988
where:
bonds (distance) C4'-P energy: -133.177
bonds (distance) P-C4' energy: -124.387
flat angles C4'-P-C4' energy: -116.402
flat angles P-C4'-P energy: -74.408
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -875.005054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.005054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.005054 (E_RNA)
where:
Base-Base interactions energy: -459.531
where: short stacking energy: -257.269
Base-Backbone interact. energy: 2.205
local terms energy: -417.678558
where:
bonds (distance) C4'-P energy: -93.066
bonds (distance) P-C4' energy: -123.520
flat angles C4'-P-C4' energy: -119.767
flat angles P-C4'-P energy: -44.396
tors. eta vs tors. theta energy: -36.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2549.944694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.944694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.944694 (E_RNA)
where:
Base-Base interactions energy: -1749.378
where: short stacking energy: -752.586
Base-Backbone interact. energy: -0.592
local terms energy: -799.975650
where:
bonds (distance) C4'-P energy: -148.796
bonds (distance) P-C4' energy: -142.750
flat angles C4'-P-C4' energy: -172.082
flat angles P-C4'-P energy: -117.691
tors. eta vs tors. theta energy: -218.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2431.836462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.836462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.836462 (E_RNA)
where:
Base-Base interactions energy: -1676.602
where: short stacking energy: -721.662
Base-Backbone interact. energy: -1.314
local terms energy: -753.920663
where:
bonds (distance) C4'-P energy: -134.626
bonds (distance) P-C4' energy: -136.254
flat angles C4'-P-C4' energy: -162.347
flat angles P-C4'-P energy: -111.441
tors. eta vs tors. theta energy: -209.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2396.214786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.214786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.214786 (E_RNA)
where:
Base-Base interactions energy: -1660.946
where: short stacking energy: -737.806
Base-Backbone interact. energy: -3.187
local terms energy: -732.081636
where:
bonds (distance) C4'-P energy: -128.425
bonds (distance) P-C4' energy: -138.903
flat angles C4'-P-C4' energy: -162.287
flat angles P-C4'-P energy: -94.500
tors. eta vs tors. theta energy: -207.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2310.458493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.458493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.458493 (E_RNA)
where:
Base-Base interactions energy: -1585.725
where: short stacking energy: -695.956
Base-Backbone interact. energy: -1.565
local terms energy: -723.168047
where:
bonds (distance) C4'-P energy: -128.723
bonds (distance) P-C4' energy: -123.409
flat angles C4'-P-C4' energy: -160.685
flat angles P-C4'-P energy: -100.879
tors. eta vs tors. theta energy: -209.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2072.887472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.887472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.887472 (E_RNA)
where:
Base-Base interactions energy: -1444.291
where: short stacking energy: -621.198
Base-Backbone interact. energy: 0.023
local terms energy: -628.619220
where:
bonds (distance) C4'-P energy: -137.449
bonds (distance) P-C4' energy: -119.787
flat angles C4'-P-C4' energy: -127.066
flat angles P-C4'-P energy: -81.201
tors. eta vs tors. theta energy: -163.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1902.226195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.226195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.226195 (E_RNA)
where:
Base-Base interactions energy: -1258.939
where: short stacking energy: -579.802
Base-Backbone interact. energy: -2.862
local terms energy: -640.425210
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -125.079
flat angles C4'-P-C4' energy: -145.054
flat angles P-C4'-P energy: -93.728
tors. eta vs tors. theta energy: -151.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1662.746200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.746200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.746200 (E_RNA)
where:
Base-Base interactions energy: -1075.363
where: short stacking energy: -513.124
Base-Backbone interact. energy: 6.813
local terms energy: -594.196095
where:
bonds (distance) C4'-P energy: -123.245
bonds (distance) P-C4' energy: -114.649
flat angles C4'-P-C4' energy: -129.119
flat angles P-C4'-P energy: -92.398
tors. eta vs tors. theta energy: -134.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1458.025399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.025399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.025399 (E_RNA)
where:
Base-Base interactions energy: -927.931
where: short stacking energy: -434.541
Base-Backbone interact. energy: 2.764
local terms energy: -532.858645
where:
bonds (distance) C4'-P energy: -118.949
bonds (distance) P-C4' energy: -112.057
flat angles C4'-P-C4' energy: -141.506
flat angles P-C4'-P energy: -76.635
tors. eta vs tors. theta energy: -83.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -973.151429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.151429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.151429 (E_RNA)
where:
Base-Base interactions energy: -524.491
where: short stacking energy: -274.727
Base-Backbone interact. energy: -0.548
local terms energy: -448.111894
where:
bonds (distance) C4'-P energy: -119.623
bonds (distance) P-C4' energy: -112.731
flat angles C4'-P-C4' energy: -102.883
flat angles P-C4'-P energy: -71.893
tors. eta vs tors. theta energy: -40.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -886.032886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.032886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.032886 (E_RNA)
where:
Base-Base interactions energy: -480.151
where: short stacking energy: -213.465
Base-Backbone interact. energy: -3.952
local terms energy: -401.929223
where:
bonds (distance) C4'-P energy: -133.804
bonds (distance) P-C4' energy: -103.082
flat angles C4'-P-C4' energy: -106.603
flat angles P-C4'-P energy: -51.061
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2577.125981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.125981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.125981 (E_RNA)
where:
Base-Base interactions energy: -1778.933
where: short stacking energy: -748.956
Base-Backbone interact. energy: -3.174
local terms energy: -795.018988
where:
bonds (distance) C4'-P energy: -140.710
bonds (distance) P-C4' energy: -145.958
flat angles C4'-P-C4' energy: -165.493
flat angles P-C4'-P energy: -113.194
tors. eta vs tors. theta energy: -229.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2451.869000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.869000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.869000 (E_RNA)
where:
Base-Base interactions energy: -1699.731
where: short stacking energy: -741.853
Base-Backbone interact. energy: -0.424
local terms energy: -751.714665
where:
bonds (distance) C4'-P energy: -133.339
bonds (distance) P-C4' energy: -128.009
flat angles C4'-P-C4' energy: -171.278
flat angles P-C4'-P energy: -110.146
tors. eta vs tors. theta energy: -208.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2392.877289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.877289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.877289 (E_RNA)
where:
Base-Base interactions energy: -1634.756
where: short stacking energy: -716.625
Base-Backbone interact. energy: 0.024
local terms energy: -758.144864
where:
bonds (distance) C4'-P energy: -142.705
bonds (distance) P-C4' energy: -150.727
flat angles C4'-P-C4' energy: -153.884
flat angles P-C4'-P energy: -108.282
tors. eta vs tors. theta energy: -202.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2259.351101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.351101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.351101 (E_RNA)
where:
Base-Base interactions energy: -1550.080
where: short stacking energy: -671.154
Base-Backbone interact. energy: -2.629
local terms energy: -706.642389
where:
bonds (distance) C4'-P energy: -114.650
bonds (distance) P-C4' energy: -141.380
flat angles C4'-P-C4' energy: -159.584
flat angles P-C4'-P energy: -95.339
tors. eta vs tors. theta energy: -195.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2074.845137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.845137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.845137 (E_RNA)
where:
Base-Base interactions energy: -1385.807
where: short stacking energy: -601.181
Base-Backbone interact. energy: -1.068
local terms energy: -687.969643
where:
bonds (distance) C4'-P energy: -128.467
bonds (distance) P-C4' energy: -138.395
flat angles C4'-P-C4' energy: -152.485
flat angles P-C4'-P energy: -101.958
tors. eta vs tors. theta energy: -166.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1890.834278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.834278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.834278 (E_RNA)
where:
Base-Base interactions energy: -1252.697
where: short stacking energy: -584.805
Base-Backbone interact. energy: 1.191
local terms energy: -639.327654
where:
bonds (distance) C4'-P energy: -130.919
bonds (distance) P-C4' energy: -121.103
flat angles C4'-P-C4' energy: -132.723
flat angles P-C4'-P energy: -84.635
tors. eta vs tors. theta energy: -169.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1616.463524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.463524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.463524 (E_RNA)
where:
Base-Base interactions energy: -1010.245
where: short stacking energy: -465.862
Base-Backbone interact. energy: -2.126
local terms energy: -604.091922
where:
bonds (distance) C4'-P energy: -131.485
bonds (distance) P-C4' energy: -133.305
flat angles C4'-P-C4' energy: -137.334
flat angles P-C4'-P energy: -94.197
tors. eta vs tors. theta energy: -107.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1448.345308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.345308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.345308 (E_RNA)
where:
Base-Base interactions energy: -914.292
where: short stacking energy: -442.031
Base-Backbone interact. energy: 0.218
local terms energy: -534.270465
where:
bonds (distance) C4'-P energy: -113.635
bonds (distance) P-C4' energy: -129.244
flat angles C4'-P-C4' energy: -130.732
flat angles P-C4'-P energy: -71.629
tors. eta vs tors. theta energy: -89.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -995.617158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.617158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.617158 (E_RNA)
where:
Base-Base interactions energy: -527.125
where: short stacking energy: -282.615
Base-Backbone interact. energy: 2.079
local terms energy: -470.570665
where:
bonds (distance) C4'-P energy: -133.493
bonds (distance) P-C4' energy: -118.086
flat angles C4'-P-C4' energy: -121.223
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -30.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -932.261271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.261271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.261271 (E_RNA)
where:
Base-Base interactions energy: -483.778
where: short stacking energy: -245.330
Base-Backbone interact. energy: 1.196
local terms energy: -449.679057
where:
bonds (distance) C4'-P energy: -123.041
bonds (distance) P-C4' energy: -138.643
flat angles C4'-P-C4' energy: -117.882
flat angles P-C4'-P energy: -64.548
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2583.630907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.630907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.630907 (E_RNA)
where:
Base-Base interactions energy: -1775.272
where: short stacking energy: -777.079
Base-Backbone interact. energy: -2.032
local terms energy: -806.326735
where:
bonds (distance) C4'-P energy: -155.368
bonds (distance) P-C4' energy: -142.297
flat angles C4'-P-C4' energy: -170.238
flat angles P-C4'-P energy: -104.739
tors. eta vs tors. theta energy: -233.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2452.687747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.687747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.687747 (E_RNA)
where:
Base-Base interactions energy: -1696.738
where: short stacking energy: -737.263
Base-Backbone interact. energy: -2.799
local terms energy: -753.150209
where:
bonds (distance) C4'-P energy: -135.866
bonds (distance) P-C4' energy: -134.828
flat angles C4'-P-C4' energy: -167.797
flat angles P-C4'-P energy: -108.188
tors. eta vs tors. theta energy: -206.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2407.011863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.011863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.011863 (E_RNA)
where:
Base-Base interactions energy: -1646.594
where: short stacking energy: -710.173
Base-Backbone interact. energy: -2.717
local terms energy: -757.701220
where:
bonds (distance) C4'-P energy: -141.587
bonds (distance) P-C4' energy: -146.110
flat angles C4'-P-C4' energy: -156.727
flat angles P-C4'-P energy: -108.904
tors. eta vs tors. theta energy: -204.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2283.239055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.239055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.239055 (E_RNA)
where:
Base-Base interactions energy: -1555.848
where: short stacking energy: -674.380
Base-Backbone interact. energy: -2.499
local terms energy: -724.892436
where:
bonds (distance) C4'-P energy: -132.782
bonds (distance) P-C4' energy: -141.898
flat angles C4'-P-C4' energy: -158.618
flat angles P-C4'-P energy: -93.504
tors. eta vs tors. theta energy: -198.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2094.890781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.890781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.890781 (E_RNA)
where:
Base-Base interactions energy: -1432.108
where: short stacking energy: -637.673
Base-Backbone interact. energy: 1.556
local terms energy: -664.338707
where:
bonds (distance) C4'-P energy: -132.147
bonds (distance) P-C4' energy: -123.254
flat angles C4'-P-C4' energy: -146.115
flat angles P-C4'-P energy: -80.966
tors. eta vs tors. theta energy: -181.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1877.543628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.543628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.543628 (E_RNA)
where:
Base-Base interactions energy: -1248.666
where: short stacking energy: -570.271
Base-Backbone interact. energy: -0.033
local terms energy: -628.844314
where:
bonds (distance) C4'-P energy: -130.687
bonds (distance) P-C4' energy: -106.654
flat angles C4'-P-C4' energy: -144.050
flat angles P-C4'-P energy: -103.093
tors. eta vs tors. theta energy: -144.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1647.303375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.303375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.303375 (E_RNA)
where:
Base-Base interactions energy: -1069.075
where: short stacking energy: -474.212
Base-Backbone interact. energy: -3.654
local terms energy: -574.573591
where:
bonds (distance) C4'-P energy: -133.299
bonds (distance) P-C4' energy: -134.584
flat angles C4'-P-C4' energy: -137.683
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: -102.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1402.921449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.921449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.921449 (E_RNA)
where:
Base-Base interactions energy: -866.890
where: short stacking energy: -392.615
Base-Backbone interact. energy: 5.667
local terms energy: -541.698246
where:
bonds (distance) C4'-P energy: -124.581
bonds (distance) P-C4' energy: -133.406
flat angles C4'-P-C4' energy: -126.991
flat angles P-C4'-P energy: -74.915
tors. eta vs tors. theta energy: -81.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -953.192526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.192526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.192526 (E_RNA)
where:
Base-Base interactions energy: -502.570
where: short stacking energy: -278.705
Base-Backbone interact. energy: -2.822
local terms energy: -447.800532
where:
bonds (distance) C4'-P energy: -124.236
bonds (distance) P-C4' energy: -124.119
flat angles C4'-P-C4' energy: -114.495
flat angles P-C4'-P energy: -62.905
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -842.580265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.580265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.580265 (E_RNA)
where:
Base-Base interactions energy: -432.210
where: short stacking energy: -217.533
Base-Backbone interact. energy: 4.382
local terms energy: -414.752536
where:
bonds (distance) C4'-P energy: -109.614
bonds (distance) P-C4' energy: -112.519
flat angles C4'-P-C4' energy: -121.911
flat angles P-C4'-P energy: -57.353
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2582.850623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.850623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.850623 (E_RNA)
where:
Base-Base interactions energy: -1781.698
where: short stacking energy: -773.614
Base-Backbone interact. energy: 1.477
local terms energy: -802.629414
where:
bonds (distance) C4'-P energy: -138.221
bonds (distance) P-C4' energy: -142.205
flat angles C4'-P-C4' energy: -175.843
flat angles P-C4'-P energy: -117.106
tors. eta vs tors. theta energy: -229.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2469.595107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.595107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.595107 (E_RNA)
where:
Base-Base interactions energy: -1682.867
where: short stacking energy: -760.940
Base-Backbone interact. energy: -2.932
local terms energy: -783.797055
where:
bonds (distance) C4'-P energy: -153.447
bonds (distance) P-C4' energy: -129.552
flat angles C4'-P-C4' energy: -169.381
flat angles P-C4'-P energy: -121.577
tors. eta vs tors. theta energy: -209.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -2390.305820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.305820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.305820 (E_RNA)
where:
Base-Base interactions energy: -1642.600
where: short stacking energy: -703.096
Base-Backbone interact. energy: -2.750
local terms energy: -744.955694
where:
bonds (distance) C4'-P energy: -147.075
bonds (distance) P-C4' energy: -133.915
flat angles C4'-P-C4' energy: -160.793
flat angles P-C4'-P energy: -102.966
tors. eta vs tors. theta energy: -200.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2259.649474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.649474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.649474 (E_RNA)
where:
Base-Base interactions energy: -1545.842
where: short stacking energy: -659.254
Base-Backbone interact. energy: -2.264
local terms energy: -711.544145
where:
bonds (distance) C4'-P energy: -122.557
bonds (distance) P-C4' energy: -137.354
flat angles C4'-P-C4' energy: -149.326
flat angles P-C4'-P energy: -106.143
tors. eta vs tors. theta energy: -196.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2072.614630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.614630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.614630 (E_RNA)
where:
Base-Base interactions energy: -1400.955
where: short stacking energy: -614.887
Base-Backbone interact. energy: 1.858
local terms energy: -673.517652
where:
bonds (distance) C4'-P energy: -113.494
bonds (distance) P-C4' energy: -137.788
flat angles C4'-P-C4' energy: -155.207
flat angles P-C4'-P energy: -101.857
tors. eta vs tors. theta energy: -165.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1932.911967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.911967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.911967 (E_RNA)
where:
Base-Base interactions energy: -1288.293
where: short stacking energy: -600.571
Base-Backbone interact. energy: 0.431
local terms energy: -645.050174
where:
bonds (distance) C4'-P energy: -124.073
bonds (distance) P-C4' energy: -128.402
flat angles C4'-P-C4' energy: -145.797
flat angles P-C4'-P energy: -99.426
tors. eta vs tors. theta energy: -147.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1715.093502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.093502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.093502 (E_RNA)
where:
Base-Base interactions energy: -1126.754
where: short stacking energy: -507.758
Base-Backbone interact. energy: -4.220
local terms energy: -584.118987
where:
bonds (distance) C4'-P energy: -111.090
bonds (distance) P-C4' energy: -140.424
flat angles C4'-P-C4' energy: -137.817
flat angles P-C4'-P energy: -68.851
tors. eta vs tors. theta energy: -125.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1425.276068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.276068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.276068 (E_RNA)
where:
Base-Base interactions energy: -923.680
where: short stacking energy: -438.388
Base-Backbone interact. energy: -3.410
local terms energy: -498.186458
where:
bonds (distance) C4'-P energy: -98.245
bonds (distance) P-C4' energy: -118.043
flat angles C4'-P-C4' energy: -116.742
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -79.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -980.621656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.621656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.621656 (E_RNA)
where:
Base-Base interactions energy: -519.454
where: short stacking energy: -301.188
Base-Backbone interact. energy: -1.824
local terms energy: -459.343443
where:
bonds (distance) C4'-P energy: -104.099
bonds (distance) P-C4' energy: -137.304
flat angles C4'-P-C4' energy: -111.478
flat angles P-C4'-P energy: -82.797
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -794.388990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.388990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.388990 (E_RNA)
where:
Base-Base interactions energy: -410.936
where: short stacking energy: -227.411
Base-Backbone interact. energy: -2.589
local terms energy: -380.864677
where:
bonds (distance) C4'-P energy: -83.206
bonds (distance) P-C4' energy: -127.697
flat angles C4'-P-C4' energy: -111.171
flat angles P-C4'-P energy: -51.435
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2552.493099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.493099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.493099 (E_RNA)
where:
Base-Base interactions energy: -1736.295
where: short stacking energy: -759.579
Base-Backbone interact. energy: -0.850
local terms energy: -815.348436
where:
bonds (distance) C4'-P energy: -157.925
bonds (distance) P-C4' energy: -140.364
flat angles C4'-P-C4' energy: -167.770
flat angles P-C4'-P energy: -121.414
tors. eta vs tors. theta energy: -227.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2490.110637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.110637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.110637 (E_RNA)
where:
Base-Base interactions energy: -1694.896
where: short stacking energy: -740.320
Base-Backbone interact. energy: -1.533
local terms energy: -793.680871
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -159.579
flat angles C4'-P-C4' energy: -165.848
flat angles P-C4'-P energy: -106.611
tors. eta vs tors. theta energy: -227.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2430.171735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.171735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.171735 (E_RNA)
where:
Base-Base interactions energy: -1670.017
where: short stacking energy: -707.606
Base-Backbone interact. energy: -3.789
local terms energy: -756.365549
where:
bonds (distance) C4'-P energy: -124.840
bonds (distance) P-C4' energy: -146.003
flat angles C4'-P-C4' energy: -165.018
flat angles P-C4'-P energy: -111.299
tors. eta vs tors. theta energy: -209.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2277.189505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.189505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.189505 (E_RNA)
where:
Base-Base interactions energy: -1568.715
where: short stacking energy: -668.327
Base-Backbone interact. energy: -0.743
local terms energy: -707.730876
where:
bonds (distance) C4'-P energy: -119.178
bonds (distance) P-C4' energy: -137.108
flat angles C4'-P-C4' energy: -140.144
flat angles P-C4'-P energy: -114.752
tors. eta vs tors. theta energy: -196.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2111.456325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.456325 (E_RNA)
where:
Base-Base interactions energy: -1424.323
where: short stacking energy: -614.035
Base-Backbone interact. energy: -2.228
local terms energy: -684.904950
where:
bonds (distance) C4'-P energy: -136.702
bonds (distance) P-C4' energy: -139.882
flat angles C4'-P-C4' energy: -147.325
flat angles P-C4'-P energy: -92.942
tors. eta vs tors. theta energy: -168.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1860.364190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.364190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.364190 (E_RNA)
where:
Base-Base interactions energy: -1242.379
where: short stacking energy: -533.639
Base-Backbone interact. energy: -2.266
local terms energy: -615.719308
where:
bonds (distance) C4'-P energy: -122.677
bonds (distance) P-C4' energy: -130.046
flat angles C4'-P-C4' energy: -132.109
flat angles P-C4'-P energy: -95.514
tors. eta vs tors. theta energy: -135.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1684.052160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.052160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.052160 (E_RNA)
where:
Base-Base interactions energy: -1114.439
where: short stacking energy: -504.871
Base-Backbone interact. energy: -1.960
local terms energy: -567.653144
where:
bonds (distance) C4'-P energy: -112.777
bonds (distance) P-C4' energy: -118.040
flat angles C4'-P-C4' energy: -135.507
flat angles P-C4'-P energy: -66.467
tors. eta vs tors. theta energy: -134.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1492.080885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.080885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.080885 (E_RNA)
where:
Base-Base interactions energy: -956.841
where: short stacking energy: -447.912
Base-Backbone interact. energy: -2.140
local terms energy: -533.100082
where:
bonds (distance) C4'-P energy: -92.626
bonds (distance) P-C4' energy: -134.299
flat angles C4'-P-C4' energy: -123.075
flat angles P-C4'-P energy: -88.235
tors. eta vs tors. theta energy: -94.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -886.048537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.048537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.048537 (E_RNA)
where:
Base-Base interactions energy: -447.420
where: short stacking energy: -249.421
Base-Backbone interact. energy: -1.041
local terms energy: -437.587891
where:
bonds (distance) C4'-P energy: -133.838
bonds (distance) P-C4' energy: -115.382
flat angles C4'-P-C4' energy: -115.244
flat angles P-C4'-P energy: -57.499
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -926.579867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.579867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.579867 (E_RNA)
where:
Base-Base interactions energy: -507.826
where: short stacking energy: -255.226
Base-Backbone interact. energy: 5.587
local terms energy: -424.340648
where:
bonds (distance) C4'-P energy: -127.765
bonds (distance) P-C4' energy: -114.981
flat angles C4'-P-C4' energy: -99.818
flat angles P-C4'-P energy: -59.003
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2572.675758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.675758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.675758 (E_RNA)
where:
Base-Base interactions energy: -1752.857
where: short stacking energy: -788.609
Base-Backbone interact. energy: 0.034
local terms energy: -819.852826
where:
bonds (distance) C4'-P energy: -145.782
bonds (distance) P-C4' energy: -156.583
flat angles C4'-P-C4' energy: -157.635
flat angles P-C4'-P energy: -120.209
tors. eta vs tors. theta energy: -239.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2507.980151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.980151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.980151 (E_RNA)
where:
Base-Base interactions energy: -1714.434
where: short stacking energy: -767.290
Base-Backbone interact. energy: -4.791
local terms energy: -788.754953
where:
bonds (distance) C4'-P energy: -142.887
bonds (distance) P-C4' energy: -143.587
flat angles C4'-P-C4' energy: -168.550
flat angles P-C4'-P energy: -104.206
tors. eta vs tors. theta energy: -229.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2418.258025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.258025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.258025 (E_RNA)
where:
Base-Base interactions energy: -1666.144
where: short stacking energy: -705.349
Base-Backbone interact. energy: -0.321
local terms energy: -751.793052
where:
bonds (distance) C4'-P energy: -125.102
bonds (distance) P-C4' energy: -152.665
flat angles C4'-P-C4' energy: -159.018
flat angles P-C4'-P energy: -111.999
tors. eta vs tors. theta energy: -203.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2230.624606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.624606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.624606 (E_RNA)
where:
Base-Base interactions energy: -1510.589
where: short stacking energy: -665.899
Base-Backbone interact. energy: -0.814
local terms energy: -719.220930
where:
bonds (distance) C4'-P energy: -135.833
bonds (distance) P-C4' energy: -136.736
flat angles C4'-P-C4' energy: -142.345
flat angles P-C4'-P energy: -103.498
tors. eta vs tors. theta energy: -200.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2076.670792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.670792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.670792 (E_RNA)
where:
Base-Base interactions energy: -1433.943
where: short stacking energy: -609.709
Base-Backbone interact. energy: 3.349
local terms energy: -646.076697
where:
bonds (distance) C4'-P energy: -132.106
bonds (distance) P-C4' energy: -114.273
flat angles C4'-P-C4' energy: -147.620
flat angles P-C4'-P energy: -92.194
tors. eta vs tors. theta energy: -159.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1908.502527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.502527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.502527 (E_RNA)
where:
Base-Base interactions energy: -1283.097
where: short stacking energy: -561.021
Base-Backbone interact. energy: -2.028
local terms energy: -623.377826
where:
bonds (distance) C4'-P energy: -125.652
bonds (distance) P-C4' energy: -128.508
flat angles C4'-P-C4' energy: -136.454
flat angles P-C4'-P energy: -90.413
tors. eta vs tors. theta energy: -142.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1714.233940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.233940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.233940 (E_RNA)
where:
Base-Base interactions energy: -1097.450
where: short stacking energy: -533.106
Base-Backbone interact. energy: -3.752
local terms energy: -613.032606
where:
bonds (distance) C4'-P energy: -137.509
bonds (distance) P-C4' energy: -130.499
flat angles C4'-P-C4' energy: -128.753
flat angles P-C4'-P energy: -86.998
tors. eta vs tors. theta energy: -129.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1506.218205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.218205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.218205 (E_RNA)
where:
Base-Base interactions energy: -951.440
where: short stacking energy: -445.037
Base-Backbone interact. energy: 1.036
local terms energy: -555.814718
where:
bonds (distance) C4'-P energy: -123.194
bonds (distance) P-C4' energy: -114.924
flat angles C4'-P-C4' energy: -142.144
flat angles P-C4'-P energy: -79.547
tors. eta vs tors. theta energy: -96.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -904.103692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.103692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.103692 (E_RNA)
where:
Base-Base interactions energy: -517.266
where: short stacking energy: -280.118
Base-Backbone interact. energy: 3.206
local terms energy: -390.043496
where:
bonds (distance) C4'-P energy: -85.774
bonds (distance) P-C4' energy: -118.442
flat angles C4'-P-C4' energy: -109.823
flat angles P-C4'-P energy: -52.751
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -910.258597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.258597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.258597 (E_RNA)
where:
Base-Base interactions energy: -484.981
where: short stacking energy: -275.214
Base-Backbone interact. energy: -1.700
local terms energy: -423.578415
where:
bonds (distance) C4'-P energy: -123.690
bonds (distance) P-C4' energy: -113.993
flat angles C4'-P-C4' energy: -96.393
flat angles P-C4'-P energy: -77.776
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2549.209902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.209902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.209902 (E_RNA)
where:
Base-Base interactions energy: -1773.822
where: short stacking energy: -780.362
Base-Backbone interact. energy: -1.607
local terms energy: -773.780612
where:
bonds (distance) C4'-P energy: -132.068
bonds (distance) P-C4' energy: -135.108
flat angles C4'-P-C4' energy: -163.517
flat angles P-C4'-P energy: -116.150
tors. eta vs tors. theta energy: -226.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2495.333156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.333156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.333156 (E_RNA)
where:
Base-Base interactions energy: -1724.016
where: short stacking energy: -748.602
Base-Backbone interact. energy: -3.604
local terms energy: -767.712741
where:
bonds (distance) C4'-P energy: -147.128
bonds (distance) P-C4' energy: -134.468
flat angles C4'-P-C4' energy: -164.069
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -227.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2424.687721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.687721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.687721 (E_RNA)
where:
Base-Base interactions energy: -1652.723
where: short stacking energy: -697.189
Base-Backbone interact. energy: 1.244
local terms energy: -773.209429
where:
bonds (distance) C4'-P energy: -139.863
bonds (distance) P-C4' energy: -152.063
flat angles C4'-P-C4' energy: -161.532
flat angles P-C4'-P energy: -113.244
tors. eta vs tors. theta energy: -206.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2272.706008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.706008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.706008 (E_RNA)
where:
Base-Base interactions energy: -1549.062
where: short stacking energy: -679.943
Base-Backbone interact. energy: -3.377
local terms energy: -720.267505
where:
bonds (distance) C4'-P energy: -144.978
bonds (distance) P-C4' energy: -132.292
flat angles C4'-P-C4' energy: -147.074
flat angles P-C4'-P energy: -101.680
tors. eta vs tors. theta energy: -194.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2095.745063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.745063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.745063 (E_RNA)
where:
Base-Base interactions energy: -1395.012
where: short stacking energy: -588.891
Base-Backbone interact. energy: -1.032
local terms energy: -699.700453
where:
bonds (distance) C4'-P energy: -131.702
bonds (distance) P-C4' energy: -153.585
flat angles C4'-P-C4' energy: -141.314
flat angles P-C4'-P energy: -95.218
tors. eta vs tors. theta energy: -177.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1862.384463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.384463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.384463 (E_RNA)
where:
Base-Base interactions energy: -1194.336
where: short stacking energy: -535.364
Base-Backbone interact. energy: -0.245
local terms energy: -667.804289
where:
bonds (distance) C4'-P energy: -135.364
bonds (distance) P-C4' energy: -142.586
flat angles C4'-P-C4' energy: -155.444
flat angles P-C4'-P energy: -101.492
tors. eta vs tors. theta energy: -132.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1745.269844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.269844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.269844 (E_RNA)
where:
Base-Base interactions energy: -1107.939
where: short stacking energy: -531.471
Base-Backbone interact. energy: -3.220
local terms energy: -634.111158
where:
bonds (distance) C4'-P energy: -123.046
bonds (distance) P-C4' energy: -130.148
flat angles C4'-P-C4' energy: -159.094
flat angles P-C4'-P energy: -82.857
tors. eta vs tors. theta energy: -138.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1517.515820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.515820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.515820 (E_RNA)
where:
Base-Base interactions energy: -939.471
where: short stacking energy: -434.240
Base-Backbone interact. energy: -0.222
local terms energy: -577.822929
where:
bonds (distance) C4'-P energy: -123.486
bonds (distance) P-C4' energy: -128.049
flat angles C4'-P-C4' energy: -132.135
flat angles P-C4'-P energy: -97.579
tors. eta vs tors. theta energy: -96.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -940.451374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.451374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.451374 (E_RNA)
where:
Base-Base interactions energy: -496.663
where: short stacking energy: -256.047
Base-Backbone interact. energy: -1.826
local terms energy: -441.961713
where:
bonds (distance) C4'-P energy: -119.840
bonds (distance) P-C4' energy: -126.655
flat angles C4'-P-C4' energy: -116.326
flat angles P-C4'-P energy: -58.555
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -861.942043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.942043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.942043 (E_RNA)
where:
Base-Base interactions energy: -453.380
where: short stacking energy: -248.228
Base-Backbone interact. energy: -2.474
local terms energy: -406.087673
where:
bonds (distance) C4'-P energy: -118.557
bonds (distance) P-C4' energy: -126.142
flat angles C4'-P-C4' energy: -91.635
flat angles P-C4'-P energy: -65.039
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2565.875964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.875964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.875964 (E_RNA)
where:
Base-Base interactions energy: -1777.449
where: short stacking energy: -751.661
Base-Backbone interact. energy: -3.067
local terms energy: -785.359898
where:
bonds (distance) C4'-P energy: -151.109
bonds (distance) P-C4' energy: -142.777
flat angles C4'-P-C4' energy: -161.606
flat angles P-C4'-P energy: -108.104
tors. eta vs tors. theta energy: -221.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2481.207570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.207570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.207570 (E_RNA)
where:
Base-Base interactions energy: -1699.191
where: short stacking energy: -742.240
Base-Backbone interact. energy: -0.165
local terms energy: -781.852082
where:
bonds (distance) C4'-P energy: -146.229
bonds (distance) P-C4' energy: -140.688
flat angles C4'-P-C4' energy: -176.427
flat angles P-C4'-P energy: -105.878
tors. eta vs tors. theta energy: -212.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2398.636644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.636644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.636644 (E_RNA)
where:
Base-Base interactions energy: -1670.525
where: short stacking energy: -713.090
Base-Backbone interact. energy: -1.560
local terms energy: -726.551911
where:
bonds (distance) C4'-P energy: -128.545
bonds (distance) P-C4' energy: -138.471
flat angles C4'-P-C4' energy: -152.728
flat angles P-C4'-P energy: -94.083
tors. eta vs tors. theta energy: -212.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2315.982933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.982933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.982933 (E_RNA)
where:
Base-Base interactions energy: -1561.402
where: short stacking energy: -674.214
Base-Backbone interact. energy: 1.551
local terms energy: -756.131867
where:
bonds (distance) C4'-P energy: -160.364
bonds (distance) P-C4' energy: -135.626
flat angles C4'-P-C4' energy: -151.725
flat angles P-C4'-P energy: -104.009
tors. eta vs tors. theta energy: -204.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2112.577168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.577168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.577168 (E_RNA)
where:
Base-Base interactions energy: -1423.499
where: short stacking energy: -637.251
Base-Backbone interact. energy: 3.093
local terms energy: -692.170656
where:
bonds (distance) C4'-P energy: -128.988
bonds (distance) P-C4' energy: -139.041
flat angles C4'-P-C4' energy: -156.132
flat angles P-C4'-P energy: -87.296
tors. eta vs tors. theta energy: -180.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1881.467025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.467025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.467025 (E_RNA)
where:
Base-Base interactions energy: -1255.275
where: short stacking energy: -559.364
Base-Backbone interact. energy: -2.271
local terms energy: -623.921228
where:
bonds (distance) C4'-P energy: -130.209
bonds (distance) P-C4' energy: -132.533
flat angles C4'-P-C4' energy: -135.515
flat angles P-C4'-P energy: -94.881
tors. eta vs tors. theta energy: -130.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1739.309691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.309691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.309691 (E_RNA)
where:
Base-Base interactions energy: -1148.165
where: short stacking energy: -511.998
Base-Backbone interact. energy: -2.257
local terms energy: -588.887563
where:
bonds (distance) C4'-P energy: -132.188
bonds (distance) P-C4' energy: -126.136
flat angles C4'-P-C4' energy: -121.693
flat angles P-C4'-P energy: -85.015
tors. eta vs tors. theta energy: -123.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1549.446215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.446215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.446215 (E_RNA)
where:
Base-Base interactions energy: -1001.510
where: short stacking energy: -470.300
Base-Backbone interact. energy: -0.653
local terms energy: -547.283189
where:
bonds (distance) C4'-P energy: -122.138
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -137.344
flat angles P-C4'-P energy: -68.709
tors. eta vs tors. theta energy: -105.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -946.980511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.980511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.980511 (E_RNA)
where:
Base-Base interactions energy: -523.328
where: short stacking energy: -282.700
Base-Backbone interact. energy: 0.718
local terms energy: -424.371238
where:
bonds (distance) C4'-P energy: -110.456
bonds (distance) P-C4' energy: -129.389
flat angles C4'-P-C4' energy: -102.853
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -859.718245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.718245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.718245 (E_RNA)
where:
Base-Base interactions energy: -439.659
where: short stacking energy: -228.622
Base-Backbone interact. energy: 2.667
local terms energy: -422.726496
where:
bonds (distance) C4'-P energy: -120.517
bonds (distance) P-C4' energy: -119.851
flat angles C4'-P-C4' energy: -115.269
flat angles P-C4'-P energy: -71.878
tors. eta vs tors. theta energy: 4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2543.614582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.614582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.614582 (E_RNA)
where:
Base-Base interactions energy: -1741.242
where: short stacking energy: -762.568
Base-Backbone interact. energy: -1.554
local terms energy: -800.818385
where:
bonds (distance) C4'-P energy: -134.299
bonds (distance) P-C4' energy: -153.800
flat angles C4'-P-C4' energy: -165.406
flat angles P-C4'-P energy: -113.793
tors. eta vs tors. theta energy: -233.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2489.425246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.425246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.425246 (E_RNA)
where:
Base-Base interactions energy: -1723.258
where: short stacking energy: -767.288
Base-Backbone interact. energy: 1.876
local terms energy: -768.042933
where:
bonds (distance) C4'-P energy: -139.197
bonds (distance) P-C4' energy: -134.461
flat angles C4'-P-C4' energy: -164.001
flat angles P-C4'-P energy: -107.924
tors. eta vs tors. theta energy: -222.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2354.155351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.155351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.155351 (E_RNA)
where:
Base-Base interactions energy: -1630.277
where: short stacking energy: -746.281
Base-Backbone interact. energy: 0.181
local terms energy: -724.059261
where:
bonds (distance) C4'-P energy: -126.285
bonds (distance) P-C4' energy: -127.327
flat angles C4'-P-C4' energy: -170.046
flat angles P-C4'-P energy: -90.471
tors. eta vs tors. theta energy: -209.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2249.806748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.806748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.806748 (E_RNA)
where:
Base-Base interactions energy: -1547.808
where: short stacking energy: -642.516
Base-Backbone interact. energy: -3.212
local terms energy: -698.785956
where:
bonds (distance) C4'-P energy: -144.267
bonds (distance) P-C4' energy: -137.669
flat angles C4'-P-C4' energy: -155.940
flat angles P-C4'-P energy: -94.203
tors. eta vs tors. theta energy: -166.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2110.113723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.113723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.113723 (E_RNA)
where:
Base-Base interactions energy: -1443.203
where: short stacking energy: -613.051
Base-Backbone interact. energy: 3.358
local terms energy: -670.268611
where:
bonds (distance) C4'-P energy: -132.073
bonds (distance) P-C4' energy: -130.006
flat angles C4'-P-C4' energy: -139.391
flat angles P-C4'-P energy: -106.405
tors. eta vs tors. theta energy: -162.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1893.667663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.667663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.667663 (E_RNA)
where:
Base-Base interactions energy: -1297.146
where: short stacking energy: -580.702
Base-Backbone interact. energy: -0.496
local terms energy: -596.025376
where:
bonds (distance) C4'-P energy: -123.096
bonds (distance) P-C4' energy: -113.010
flat angles C4'-P-C4' energy: -132.075
flat angles P-C4'-P energy: -90.929
tors. eta vs tors. theta energy: -136.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1687.965013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.965013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.965013 (E_RNA)
where:
Base-Base interactions energy: -1112.082
where: short stacking energy: -501.825
Base-Backbone interact. energy: -1.528
local terms energy: -574.354990
where:
bonds (distance) C4'-P energy: -109.317
bonds (distance) P-C4' energy: -113.284
flat angles C4'-P-C4' energy: -134.648
flat angles P-C4'-P energy: -93.670
tors. eta vs tors. theta energy: -123.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1502.425039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.425039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.425039 (E_RNA)
where:
Base-Base interactions energy: -989.327
where: short stacking energy: -450.304
Base-Backbone interact. energy: 0.385
local terms energy: -513.482646
where:
bonds (distance) C4'-P energy: -102.088
bonds (distance) P-C4' energy: -123.893
flat angles C4'-P-C4' energy: -121.317
flat angles P-C4'-P energy: -58.371
tors. eta vs tors. theta energy: -107.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -917.071979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.071979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.071979 (E_RNA)
where:
Base-Base interactions energy: -472.185
where: short stacking energy: -242.273
Base-Backbone interact. energy: -2.956
local terms energy: -441.930584
where:
bonds (distance) C4'-P energy: -125.864
bonds (distance) P-C4' energy: -127.724
flat angles C4'-P-C4' energy: -121.792
flat angles P-C4'-P energy: -57.191
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -972.524736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.524736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.524736 (E_RNA)
where:
Base-Base interactions energy: -493.078
where: short stacking energy: -263.209
Base-Backbone interact. energy: -3.912
local terms energy: -475.535061
where:
bonds (distance) C4'-P energy: -115.708
bonds (distance) P-C4' energy: -134.687
flat angles C4'-P-C4' energy: -117.844
flat angles P-C4'-P energy: -84.824
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2586.379231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.379231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.379231 (E_RNA)
where:
Base-Base interactions energy: -1784.941
where: short stacking energy: -764.456
Base-Backbone interact. energy: -0.589
local terms energy: -800.849262
where:
bonds (distance) C4'-P energy: -142.831
bonds (distance) P-C4' energy: -141.499
flat angles C4'-P-C4' energy: -175.388
flat angles P-C4'-P energy: -114.074
tors. eta vs tors. theta energy: -227.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2433.882719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.882719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.882719 (E_RNA)
where:
Base-Base interactions energy: -1679.268
where: short stacking energy: -738.574
Base-Backbone interact. energy: 1.768
local terms energy: -756.382776
where:
bonds (distance) C4'-P energy: -124.945
bonds (distance) P-C4' energy: -131.523
flat angles C4'-P-C4' energy: -163.756
flat angles P-C4'-P energy: -114.126
tors. eta vs tors. theta energy: -222.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2414.788358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.788358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.788358 (E_RNA)
where:
Base-Base interactions energy: -1687.402
where: short stacking energy: -735.232
Base-Backbone interact. energy: -1.377
local terms energy: -726.009701
where:
bonds (distance) C4'-P energy: -133.845
bonds (distance) P-C4' energy: -132.595
flat angles C4'-P-C4' energy: -162.171
flat angles P-C4'-P energy: -92.162
tors. eta vs tors. theta energy: -205.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2251.120661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.120661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.120661 (E_RNA)
where:
Base-Base interactions energy: -1529.522
where: short stacking energy: -673.401
Base-Backbone interact. energy: -0.458
local terms energy: -721.140587
where:
bonds (distance) C4'-P energy: -125.883
bonds (distance) P-C4' energy: -141.975
flat angles C4'-P-C4' energy: -159.138
flat angles P-C4'-P energy: -106.246
tors. eta vs tors. theta energy: -187.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2111.308265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.308265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.308265 (E_RNA)
where:
Base-Base interactions energy: -1410.301
where: short stacking energy: -600.444
Base-Backbone interact. energy: 0.914
local terms energy: -701.920916
where:
bonds (distance) C4'-P energy: -132.603
bonds (distance) P-C4' energy: -141.330
flat angles C4'-P-C4' energy: -156.724
flat angles P-C4'-P energy: -101.854
tors. eta vs tors. theta energy: -169.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1883.648106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.648106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.648106 (E_RNA)
where:
Base-Base interactions energy: -1253.742
where: short stacking energy: -545.787
Base-Backbone interact. energy: -3.808
local terms energy: -626.098259
where:
bonds (distance) C4'-P energy: -125.889
bonds (distance) P-C4' energy: -143.588
flat angles C4'-P-C4' energy: -129.526
flat angles P-C4'-P energy: -91.414
tors. eta vs tors. theta energy: -135.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1605.719415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.719415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.719415 (E_RNA)
where:
Base-Base interactions energy: -1033.882
where: short stacking energy: -490.655
Base-Backbone interact. energy: -1.000
local terms energy: -570.837893
where:
bonds (distance) C4'-P energy: -113.111
bonds (distance) P-C4' energy: -114.018
flat angles C4'-P-C4' energy: -138.281
flat angles P-C4'-P energy: -89.725
tors. eta vs tors. theta energy: -115.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1470.478222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.478222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.478222 (E_RNA)
where:
Base-Base interactions energy: -944.540
where: short stacking energy: -443.329
Base-Backbone interact. energy: 1.038
local terms energy: -526.976348
where:
bonds (distance) C4'-P energy: -129.958
bonds (distance) P-C4' energy: -108.859
flat angles C4'-P-C4' energy: -129.231
flat angles P-C4'-P energy: -83.567
tors. eta vs tors. theta energy: -75.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -958.242841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.242841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.242841 (E_RNA)
where:
Base-Base interactions energy: -516.029
where: short stacking energy: -254.888
Base-Backbone interact. energy: 5.164
local terms energy: -447.378546
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -136.256
flat angles C4'-P-C4' energy: -100.494
flat angles P-C4'-P energy: -75.926
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -878.807103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.807103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.807103 (E_RNA)
where:
Base-Base interactions energy: -479.367
where: short stacking energy: -231.521
Base-Backbone interact. energy: 3.870
local terms energy: -403.309637
where:
bonds (distance) C4'-P energy: -108.547
bonds (distance) P-C4' energy: -138.298
flat angles C4'-P-C4' energy: -88.057
flat angles P-C4'-P energy: -68.341
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2566.378987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.378987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.378987 (E_RNA)
where:
Base-Base interactions energy: -1764.192
where: short stacking energy: -768.028
Base-Backbone interact. energy: -4.488
local terms energy: -797.699227
where:
bonds (distance) C4'-P energy: -152.239
bonds (distance) P-C4' energy: -135.518
flat angles C4'-P-C4' energy: -161.862
flat angles P-C4'-P energy: -115.073
tors. eta vs tors. theta energy: -233.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2441.977655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.977655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.977655 (E_RNA)
where:
Base-Base interactions energy: -1635.043
where: short stacking energy: -764.834
Base-Backbone interact. energy: -0.332
local terms energy: -806.602504
where:
bonds (distance) C4'-P energy: -153.743
bonds (distance) P-C4' energy: -146.463
flat angles C4'-P-C4' energy: -176.492
flat angles P-C4'-P energy: -115.629
tors. eta vs tors. theta energy: -214.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2468.594800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.594800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.594800 (E_RNA)
where:
Base-Base interactions energy: -1689.670
where: short stacking energy: -722.119
Base-Backbone interact. energy: 5.903
local terms energy: -784.827805
where:
bonds (distance) C4'-P energy: -138.078
bonds (distance) P-C4' energy: -146.535
flat angles C4'-P-C4' energy: -169.930
flat angles P-C4'-P energy: -107.167
tors. eta vs tors. theta energy: -223.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2286.303026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.303026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.303026 (E_RNA)
where:
Base-Base interactions energy: -1564.601
where: short stacking energy: -668.346
Base-Backbone interact. energy: -0.790
local terms energy: -720.911953
where:
bonds (distance) C4'-P energy: -126.224
bonds (distance) P-C4' energy: -149.923
flat angles C4'-P-C4' energy: -163.679
flat angles P-C4'-P energy: -92.510
tors. eta vs tors. theta energy: -188.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2090.634819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.634819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.634819 (E_RNA)
where:
Base-Base interactions energy: -1426.685
where: short stacking energy: -623.520
Base-Backbone interact. energy: -0.131
local terms energy: -663.818516
where:
bonds (distance) C4'-P energy: -129.674
bonds (distance) P-C4' energy: -141.682
flat angles C4'-P-C4' energy: -152.164
flat angles P-C4'-P energy: -85.600
tors. eta vs tors. theta energy: -154.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1865.846470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.846470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.846470 (E_RNA)
where:
Base-Base interactions energy: -1267.261
where: short stacking energy: -543.839
Base-Backbone interact. energy: 3.161
local terms energy: -601.746489
where:
bonds (distance) C4'-P energy: -127.524
bonds (distance) P-C4' energy: -129.388
flat angles C4'-P-C4' energy: -125.398
flat angles P-C4'-P energy: -97.525
tors. eta vs tors. theta energy: -121.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1628.618458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.618458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.618458 (E_RNA)
where:
Base-Base interactions energy: -1034.980
where: short stacking energy: -506.230
Base-Backbone interact. energy: -1.909
local terms energy: -591.729362
where:
bonds (distance) C4'-P energy: -123.613
bonds (distance) P-C4' energy: -119.044
flat angles C4'-P-C4' energy: -130.058
flat angles P-C4'-P energy: -82.037
tors. eta vs tors. theta energy: -136.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1520.756376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.756376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.756376 (E_RNA)
where:
Base-Base interactions energy: -965.565
where: short stacking energy: -449.521
Base-Backbone interact. energy: -2.955
local terms energy: -552.235779
where:
bonds (distance) C4'-P energy: -131.392
bonds (distance) P-C4' energy: -120.815
flat angles C4'-P-C4' energy: -119.967
flat angles P-C4'-P energy: -90.896
tors. eta vs tors. theta energy: -89.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -879.856759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.856759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.856759 (E_RNA)
where:
Base-Base interactions energy: -498.363
where: short stacking energy: -263.633
Base-Backbone interact. energy: -3.222
local terms energy: -378.271862
where:
bonds (distance) C4'-P energy: -105.326
bonds (distance) P-C4' energy: -114.832
flat angles C4'-P-C4' energy: -91.834
flat angles P-C4'-P energy: -69.988
tors. eta vs tors. theta energy: 3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -947.607299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.607299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.607299 (E_RNA)
where:
Base-Base interactions energy: -533.298
where: short stacking energy: -291.095
Base-Backbone interact. energy: -2.547
local terms energy: -411.762394
where:
bonds (distance) C4'-P energy: -107.238
bonds (distance) P-C4' energy: -105.206
flat angles C4'-P-C4' energy: -96.560
flat angles P-C4'-P energy: -73.481
tors. eta vs tors. theta energy: -29.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2569.282840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.282840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.282840 (E_RNA)
where:
Base-Base interactions energy: -1763.009
where: short stacking energy: -748.526
Base-Backbone interact. energy: -1.189
local terms energy: -805.085099
where:
bonds (distance) C4'-P energy: -144.726
bonds (distance) P-C4' energy: -140.742
flat angles C4'-P-C4' energy: -165.262
flat angles P-C4'-P energy: -124.265
tors. eta vs tors. theta energy: -230.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2455.206536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.206536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.206536 (E_RNA)
where:
Base-Base interactions energy: -1689.845
where: short stacking energy: -719.605
Base-Backbone interact. energy: -5.624
local terms energy: -759.737959
where:
bonds (distance) C4'-P energy: -141.489
bonds (distance) P-C4' energy: -147.280
flat angles C4'-P-C4' energy: -158.351
flat angles P-C4'-P energy: -107.036
tors. eta vs tors. theta energy: -205.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2393.259828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.259828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.259828 (E_RNA)
where:
Base-Base interactions energy: -1636.197
where: short stacking energy: -717.458
Base-Backbone interact. energy: -3.258
local terms energy: -753.804328
where:
bonds (distance) C4'-P energy: -134.693
bonds (distance) P-C4' energy: -143.150
flat angles C4'-P-C4' energy: -152.588
flat angles P-C4'-P energy: -106.344
tors. eta vs tors. theta energy: -217.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2284.971187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.971187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.971187 (E_RNA)
where:
Base-Base interactions energy: -1558.250
where: short stacking energy: -672.424
Base-Backbone interact. energy: -3.283
local terms energy: -723.437835
where:
bonds (distance) C4'-P energy: -137.270
bonds (distance) P-C4' energy: -136.364
flat angles C4'-P-C4' energy: -146.735
flat angles P-C4'-P energy: -108.419
tors. eta vs tors. theta energy: -194.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2112.294193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.294193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.294193 (E_RNA)
where:
Base-Base interactions energy: -1437.384
where: short stacking energy: -615.925
Base-Backbone interact. energy: -2.406
local terms energy: -672.503270
where:
bonds (distance) C4'-P energy: -127.394
bonds (distance) P-C4' energy: -133.690
flat angles C4'-P-C4' energy: -139.191
flat angles P-C4'-P energy: -87.963
tors. eta vs tors. theta energy: -184.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1862.628061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.628061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.628061 (E_RNA)
where:
Base-Base interactions energy: -1250.040
where: short stacking energy: -545.847
Base-Backbone interact. energy: -4.673
local terms energy: -607.914644
where:
bonds (distance) C4'-P energy: -118.371
bonds (distance) P-C4' energy: -133.242
flat angles C4'-P-C4' energy: -126.791
flat angles P-C4'-P energy: -83.069
tors. eta vs tors. theta energy: -146.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1664.916257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.916257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.916257 (E_RNA)
where:
Base-Base interactions energy: -1073.870
where: short stacking energy: -490.265
Base-Backbone interact. energy: -0.762
local terms energy: -590.284084
where:
bonds (distance) C4'-P energy: -129.125
bonds (distance) P-C4' energy: -116.258
flat angles C4'-P-C4' energy: -134.366
flat angles P-C4'-P energy: -85.341
tors. eta vs tors. theta energy: -125.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1571.017410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.017410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.017410 (E_RNA)
where:
Base-Base interactions energy: -1024.078
where: short stacking energy: -490.016
Base-Backbone interact. energy: -0.279
local terms energy: -546.660446
where:
bonds (distance) C4'-P energy: -121.439
bonds (distance) P-C4' energy: -108.696
flat angles C4'-P-C4' energy: -137.627
flat angles P-C4'-P energy: -78.121
tors. eta vs tors. theta energy: -100.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -908.174903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.174903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.174903 (E_RNA)
where:
Base-Base interactions energy: -493.398
where: short stacking energy: -259.143
Base-Backbone interact. energy: 6.648
local terms energy: -421.424843
where:
bonds (distance) C4'-P energy: -114.153
bonds (distance) P-C4' energy: -137.355
flat angles C4'-P-C4' energy: -104.643
flat angles P-C4'-P energy: -54.621
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -938.951807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.951807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.951807 (E_RNA)
where:
Base-Base interactions energy: -537.053
where: short stacking energy: -266.700
Base-Backbone interact. energy: 0.087
local terms energy: -401.985789
where:
bonds (distance) C4'-P energy: -110.548
bonds (distance) P-C4' energy: -103.252
flat angles C4'-P-C4' energy: -115.054
flat angles P-C4'-P energy: -60.597
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2581.495976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.495976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.495976 (E_RNA)
where:
Base-Base interactions energy: -1790.730
where: short stacking energy: -766.977
Base-Backbone interact. energy: -2.247
local terms energy: -788.519034
where:
bonds (distance) C4'-P energy: -146.712
bonds (distance) P-C4' energy: -144.159
flat angles C4'-P-C4' energy: -172.249
flat angles P-C4'-P energy: -100.721
tors. eta vs tors. theta energy: -224.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2466.899767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.899767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.899767 (E_RNA)
where:
Base-Base interactions energy: -1700.923
where: short stacking energy: -745.307
Base-Backbone interact. energy: -2.798
local terms energy: -763.178229
where:
bonds (distance) C4'-P energy: -141.437
bonds (distance) P-C4' energy: -155.844
flat angles C4'-P-C4' energy: -152.549
flat angles P-C4'-P energy: -103.079
tors. eta vs tors. theta energy: -210.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2377.132181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.132181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.132181 (E_RNA)
where:
Base-Base interactions energy: -1636.927
where: short stacking energy: -709.977
Base-Backbone interact. energy: 2.855
local terms energy: -743.059467
where:
bonds (distance) C4'-P energy: -129.128
bonds (distance) P-C4' energy: -126.592
flat angles C4'-P-C4' energy: -165.630
flat angles P-C4'-P energy: -110.593
tors. eta vs tors. theta energy: -211.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2264.320832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.320832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.320832 (E_RNA)
where:
Base-Base interactions energy: -1552.427
where: short stacking energy: -685.801
Base-Backbone interact. energy: -2.124
local terms energy: -709.769545
where:
bonds (distance) C4'-P energy: -144.866
bonds (distance) P-C4' energy: -139.247
flat angles C4'-P-C4' energy: -144.746
flat angles P-C4'-P energy: -83.719
tors. eta vs tors. theta energy: -197.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2129.275240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.275240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.275240 (E_RNA)
where:
Base-Base interactions energy: -1428.654
where: short stacking energy: -599.052
Base-Backbone interact. energy: -2.753
local terms energy: -697.868879
where:
bonds (distance) C4'-P energy: -135.760
bonds (distance) P-C4' energy: -128.335
flat angles C4'-P-C4' energy: -146.782
flat angles P-C4'-P energy: -103.628
tors. eta vs tors. theta energy: -183.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1842.986271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.986271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.986271 (E_RNA)
where:
Base-Base interactions energy: -1264.455
where: short stacking energy: -523.784
Base-Backbone interact. energy: -4.500
local terms energy: -574.030787
where:
bonds (distance) C4'-P energy: -100.424
bonds (distance) P-C4' energy: -131.891
flat angles C4'-P-C4' energy: -130.985
flat angles P-C4'-P energy: -89.591
tors. eta vs tors. theta energy: -121.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1651.101803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.101803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.101803 (E_RNA)
where:
Base-Base interactions energy: -1095.541
where: short stacking energy: -510.553
Base-Backbone interact. energy: 1.273
local terms energy: -556.833977
where:
bonds (distance) C4'-P energy: -108.929
bonds (distance) P-C4' energy: -128.947
flat angles C4'-P-C4' energy: -120.778
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -118.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1575.526250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.526250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.526250 (E_RNA)
where:
Base-Base interactions energy: -1024.776
where: short stacking energy: -454.925
Base-Backbone interact. energy: 1.928
local terms energy: -552.678436
where:
bonds (distance) C4'-P energy: -116.132
bonds (distance) P-C4' energy: -135.056
flat angles C4'-P-C4' energy: -123.313
flat angles P-C4'-P energy: -72.207
tors. eta vs tors. theta energy: -105.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -933.079519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.079519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.079519 (E_RNA)
where:
Base-Base interactions energy: -504.923
where: short stacking energy: -260.189
Base-Backbone interact. energy: -0.183
local terms energy: -427.973006
where:
bonds (distance) C4'-P energy: -117.497
bonds (distance) P-C4' energy: -102.640
flat angles C4'-P-C4' energy: -106.628
flat angles P-C4'-P energy: -72.096
tors. eta vs tors. theta energy: -29.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -965.934394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.934394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.934394 (E_RNA)
where:
Base-Base interactions energy: -570.454
where: short stacking energy: -298.381
Base-Backbone interact. energy: 4.394
local terms energy: -399.873681
where:
bonds (distance) C4'-P energy: -107.037
bonds (distance) P-C4' energy: -115.140
flat angles C4'-P-C4' energy: -106.572
flat angles P-C4'-P energy: -58.768
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2577.757309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.757309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.757309 (E_RNA)
where:
Base-Base interactions energy: -1780.716
where: short stacking energy: -769.459
Base-Backbone interact. energy: -1.672
local terms energy: -795.368776
where:
bonds (distance) C4'-P energy: -150.224
bonds (distance) P-C4' energy: -142.850
flat angles C4'-P-C4' energy: -160.320
flat angles P-C4'-P energy: -111.194
tors. eta vs tors. theta energy: -230.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2453.444152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.444152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.444152 (E_RNA)
where:
Base-Base interactions energy: -1689.897
where: short stacking energy: -747.796
Base-Backbone interact. energy: -1.911
local terms energy: -761.636332
where:
bonds (distance) C4'-P energy: -142.170
bonds (distance) P-C4' energy: -136.729
flat angles C4'-P-C4' energy: -167.012
flat angles P-C4'-P energy: -104.149
tors. eta vs tors. theta energy: -211.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2420.778120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.778120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.778120 (E_RNA)
where:
Base-Base interactions energy: -1657.760
where: short stacking energy: -707.160
Base-Backbone interact. energy: -1.628
local terms energy: -761.390375
where:
bonds (distance) C4'-P energy: -131.856
bonds (distance) P-C4' energy: -146.286
flat angles C4'-P-C4' energy: -160.052
flat angles P-C4'-P energy: -105.928
tors. eta vs tors. theta energy: -217.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2308.621647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.621647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.621647 (E_RNA)
where:
Base-Base interactions energy: -1564.340
where: short stacking energy: -669.751
Base-Backbone interact. energy: 0.601
local terms energy: -744.882468
where:
bonds (distance) C4'-P energy: -129.991
bonds (distance) P-C4' energy: -132.579
flat angles C4'-P-C4' energy: -166.039
flat angles P-C4'-P energy: -114.662
tors. eta vs tors. theta energy: -201.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2122.874961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.874961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.874961 (E_RNA)
where:
Base-Base interactions energy: -1480.522
where: short stacking energy: -598.491
Base-Backbone interact. energy: -2.025
local terms energy: -640.328201
where:
bonds (distance) C4'-P energy: -97.561
bonds (distance) P-C4' energy: -132.470
flat angles C4'-P-C4' energy: -150.022
flat angles P-C4'-P energy: -89.736
tors. eta vs tors. theta energy: -170.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1844.785867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.785867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.785867 (E_RNA)
where:
Base-Base interactions energy: -1242.255
where: short stacking energy: -552.293
Base-Backbone interact. energy: -3.038
local terms energy: -599.492045
where:
bonds (distance) C4'-P energy: -126.613
bonds (distance) P-C4' energy: -133.534
flat angles C4'-P-C4' energy: -115.879
flat angles P-C4'-P energy: -94.828
tors. eta vs tors. theta energy: -128.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1714.577099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.577099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.577099 (E_RNA)
where:
Base-Base interactions energy: -1112.064
where: short stacking energy: -515.396
Base-Backbone interact. energy: 3.004
local terms energy: -605.516536
where:
bonds (distance) C4'-P energy: -110.326
bonds (distance) P-C4' energy: -141.061
flat angles C4'-P-C4' energy: -136.428
flat angles P-C4'-P energy: -82.454
tors. eta vs tors. theta energy: -135.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1554.830772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.830772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.830772 (E_RNA)
where:
Base-Base interactions energy: -965.807
where: short stacking energy: -478.069
Base-Backbone interact. energy: -3.571
local terms energy: -585.452950
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -124.125
flat angles C4'-P-C4' energy: -137.740
flat angles P-C4'-P energy: -91.530
tors. eta vs tors. theta energy: -116.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -935.817422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.817422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.817422 (E_RNA)
where:
Base-Base interactions energy: -495.744
where: short stacking energy: -278.062
Base-Backbone interact. energy: -1.337
local terms energy: -438.737054
where:
bonds (distance) C4'-P energy: -127.323
bonds (distance) P-C4' energy: -126.432
flat angles C4'-P-C4' energy: -117.081
flat angles P-C4'-P energy: -52.661
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -939.298519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.298519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.298519 (E_RNA)
where:
Base-Base interactions energy: -517.285
where: short stacking energy: -260.801
Base-Backbone interact. energy: -2.946
local terms energy: -419.066741
where:
bonds (distance) C4'-P energy: -107.636
bonds (distance) P-C4' energy: -123.228
flat angles C4'-P-C4' energy: -106.870
flat angles P-C4'-P energy: -77.811
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2586.007385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.007385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.007385 (E_RNA)
where:
Base-Base interactions energy: -1794.757
where: short stacking energy: -789.946
Base-Backbone interact. energy: 0.715
local terms energy: -791.966050
where:
bonds (distance) C4'-P energy: -151.482
bonds (distance) P-C4' energy: -132.612
flat angles C4'-P-C4' energy: -165.663
flat angles P-C4'-P energy: -120.654
tors. eta vs tors. theta energy: -221.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2483.106107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.106107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.106107 (E_RNA)
where:
Base-Base interactions energy: -1683.201
where: short stacking energy: -716.168
Base-Backbone interact. energy: -1.921
local terms energy: -797.983755
where:
bonds (distance) C4'-P energy: -141.533
bonds (distance) P-C4' energy: -150.421
flat angles C4'-P-C4' energy: -161.423
flat angles P-C4'-P energy: -122.379
tors. eta vs tors. theta energy: -222.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2428.084094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.084094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.084094 (E_RNA)
where:
Base-Base interactions energy: -1694.746
where: short stacking energy: -713.553
Base-Backbone interact. energy: 0.986
local terms energy: -734.323503
where:
bonds (distance) C4'-P energy: -121.352
bonds (distance) P-C4' energy: -138.562
flat angles C4'-P-C4' energy: -154.517
flat angles P-C4'-P energy: -103.621
tors. eta vs tors. theta energy: -216.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2280.729280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.729280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.729280 (E_RNA)
where:
Base-Base interactions energy: -1538.168
where: short stacking energy: -658.189
Base-Backbone interact. energy: -2.047
local terms energy: -740.514442
where:
bonds (distance) C4'-P energy: -144.630
bonds (distance) P-C4' energy: -146.283
flat angles C4'-P-C4' energy: -160.841
flat angles P-C4'-P energy: -97.527
tors. eta vs tors. theta energy: -191.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2114.133588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.133588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.133588 (E_RNA)
where:
Base-Base interactions energy: -1462.620
where: short stacking energy: -586.461
Base-Backbone interact. energy: -3.209
local terms energy: -648.304416
where:
bonds (distance) C4'-P energy: -135.707
bonds (distance) P-C4' energy: -116.469
flat angles C4'-P-C4' energy: -144.640
flat angles P-C4'-P energy: -93.535
tors. eta vs tors. theta energy: -157.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1832.495797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.495797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.495797 (E_RNA)
where:
Base-Base interactions energy: -1256.104
where: short stacking energy: -544.003
Base-Backbone interact. energy: -5.333
local terms energy: -571.059270
where:
bonds (distance) C4'-P energy: -114.557
bonds (distance) P-C4' energy: -133.779
flat angles C4'-P-C4' energy: -116.312
flat angles P-C4'-P energy: -78.025
tors. eta vs tors. theta energy: -128.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1740.189929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.189929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.189929 (E_RNA)
where:
Base-Base interactions energy: -1164.264
where: short stacking energy: -535.797
Base-Backbone interact. energy: -1.637
local terms energy: -574.289232
where:
bonds (distance) C4'-P energy: -105.475
bonds (distance) P-C4' energy: -112.138
flat angles C4'-P-C4' energy: -128.612
flat angles P-C4'-P energy: -77.980
tors. eta vs tors. theta energy: -150.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1467.339568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.339568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.339568 (E_RNA)
where:
Base-Base interactions energy: -931.677
where: short stacking energy: -446.373
Base-Backbone interact. energy: -0.364
local terms energy: -535.299148
where:
bonds (distance) C4'-P energy: -106.036
bonds (distance) P-C4' energy: -115.269
flat angles C4'-P-C4' energy: -142.859
flat angles P-C4'-P energy: -71.421
tors. eta vs tors. theta energy: -99.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -966.663232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.663232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.663232 (E_RNA)
where:
Base-Base interactions energy: -543.713
where: short stacking energy: -281.538
Base-Backbone interact. energy: 2.136
local terms energy: -425.085852
where:
bonds (distance) C4'-P energy: -128.226
bonds (distance) P-C4' energy: -119.276
flat angles C4'-P-C4' energy: -115.811
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -24.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -876.134612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.134612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.134612 (E_RNA)
where:
Base-Base interactions energy: -467.742
where: short stacking energy: -250.597
Base-Backbone interact. energy: 5.110
local terms energy: -413.503131
where:
bonds (distance) C4'-P energy: -91.051
bonds (distance) P-C4' energy: -126.364
flat angles C4'-P-C4' energy: -132.830
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2569.739274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.739274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.739274 (E_RNA)
where:
Base-Base interactions energy: -1758.406
where: short stacking energy: -779.772
Base-Backbone interact. energy: -1.857
local terms energy: -809.476301
where:
bonds (distance) C4'-P energy: -143.285
bonds (distance) P-C4' energy: -150.594
flat angles C4'-P-C4' energy: -168.190
flat angles P-C4'-P energy: -113.579
tors. eta vs tors. theta energy: -233.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2506.033316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.033316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.033316 (E_RNA)
where:
Base-Base interactions energy: -1728.602
where: short stacking energy: -767.255
Base-Backbone interact. energy: -1.332
local terms energy: -776.098807
where:
bonds (distance) C4'-P energy: -149.003
bonds (distance) P-C4' energy: -138.294
flat angles C4'-P-C4' energy: -164.194
flat angles P-C4'-P energy: -101.611
tors. eta vs tors. theta energy: -222.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2432.717945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.717945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.717945 (E_RNA)
where:
Base-Base interactions energy: -1681.784
where: short stacking energy: -718.634
Base-Backbone interact. energy: -3.096
local terms energy: -747.837966
where:
bonds (distance) C4'-P energy: -136.909
bonds (distance) P-C4' energy: -128.988
flat angles C4'-P-C4' energy: -157.777
flat angles P-C4'-P energy: -109.229
tors. eta vs tors. theta energy: -214.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2287.639028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.639028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.639028 (E_RNA)
where:
Base-Base interactions energy: -1552.360
where: short stacking energy: -683.404
Base-Backbone interact. energy: -3.900
local terms energy: -731.379684
where:
bonds (distance) C4'-P energy: -131.903
bonds (distance) P-C4' energy: -145.721
flat angles C4'-P-C4' energy: -157.000
flat angles P-C4'-P energy: -103.109
tors. eta vs tors. theta energy: -193.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2174.355790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.355790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.355790 (E_RNA)
where:
Base-Base interactions energy: -1514.850
where: short stacking energy: -640.078
Base-Backbone interact. energy: 4.536
local terms energy: -664.041866
where:
bonds (distance) C4'-P energy: -128.301
bonds (distance) P-C4' energy: -129.881
flat angles C4'-P-C4' energy: -138.624
flat angles P-C4'-P energy: -86.796
tors. eta vs tors. theta energy: -180.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1890.796275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.796275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.796275 (E_RNA)
where:
Base-Base interactions energy: -1297.529
where: short stacking energy: -552.645
Base-Backbone interact. energy: -3.673
local terms energy: -589.594730
where:
bonds (distance) C4'-P energy: -113.088
bonds (distance) P-C4' energy: -128.934
flat angles C4'-P-C4' energy: -145.684
flat angles P-C4'-P energy: -75.009
tors. eta vs tors. theta energy: -126.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1702.517099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.517099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.517099 (E_RNA)
where:
Base-Base interactions energy: -1091.994
where: short stacking energy: -477.095
Base-Backbone interact. energy: 2.039
local terms energy: -612.562246
where:
bonds (distance) C4'-P energy: -137.119
bonds (distance) P-C4' energy: -145.612
flat angles C4'-P-C4' energy: -135.483
flat angles P-C4'-P energy: -88.183
tors. eta vs tors. theta energy: -106.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1484.420533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.420533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.420533 (E_RNA)
where:
Base-Base interactions energy: -958.831
where: short stacking energy: -445.939
Base-Backbone interact. energy: -1.613
local terms energy: -523.976962
where:
bonds (distance) C4'-P energy: -110.727
bonds (distance) P-C4' energy: -130.025
flat angles C4'-P-C4' energy: -120.136
flat angles P-C4'-P energy: -77.606
tors. eta vs tors. theta energy: -85.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -920.468819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.468819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.468819 (E_RNA)
where:
Base-Base interactions energy: -516.652
where: short stacking energy: -279.240
Base-Backbone interact. energy: 0.554
local terms energy: -404.370955
where:
bonds (distance) C4'-P energy: -111.683
bonds (distance) P-C4' energy: -112.951
flat angles C4'-P-C4' energy: -109.277
flat angles P-C4'-P energy: -59.552
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -869.283862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.283862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.283862 (E_RNA)
where:
Base-Base interactions energy: -473.193
where: short stacking energy: -253.136
Base-Backbone interact. energy: 0.251
local terms energy: -396.341532
where:
bonds (distance) C4'-P energy: -98.852
bonds (distance) P-C4' energy: -113.475
flat angles C4'-P-C4' energy: -100.910
flat angles P-C4'-P energy: -72.261
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2572.171759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.171759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.171759 (E_RNA)
where:
Base-Base interactions energy: -1774.919
where: short stacking energy: -768.528
Base-Backbone interact. energy: -0.774
local terms energy: -796.479103
where:
bonds (distance) C4'-P energy: -143.885
bonds (distance) P-C4' energy: -158.691
flat angles C4'-P-C4' energy: -155.514
flat angles P-C4'-P energy: -104.960
tors. eta vs tors. theta energy: -233.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2494.073374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.073374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.073374 (E_RNA)
where:
Base-Base interactions energy: -1711.484
where: short stacking energy: -763.798
Base-Backbone interact. energy: -3.679
local terms energy: -778.911261
where:
bonds (distance) C4'-P energy: -133.286
bonds (distance) P-C4' energy: -145.056
flat angles C4'-P-C4' energy: -158.614
flat angles P-C4'-P energy: -125.814
tors. eta vs tors. theta energy: -216.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2438.056235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.056235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.056235 (E_RNA)
where:
Base-Base interactions energy: -1682.183
where: short stacking energy: -723.201
Base-Backbone interact. energy: -0.083
local terms energy: -755.789727
where:
bonds (distance) C4'-P energy: -135.149
bonds (distance) P-C4' energy: -141.077
flat angles C4'-P-C4' energy: -157.601
flat angles P-C4'-P energy: -106.628
tors. eta vs tors. theta energy: -215.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2291.839112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.839112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.839112 (E_RNA)
where:
Base-Base interactions energy: -1563.813
where: short stacking energy: -688.182
Base-Backbone interact. energy: -2.160
local terms energy: -725.866805
where:
bonds (distance) C4'-P energy: -139.046
bonds (distance) P-C4' energy: -137.394
flat angles C4'-P-C4' energy: -156.265
flat angles P-C4'-P energy: -103.616
tors. eta vs tors. theta energy: -189.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2119.189181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.189181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.189181 (E_RNA)
where:
Base-Base interactions energy: -1453.812
where: short stacking energy: -620.477
Base-Backbone interact. energy: -0.858
local terms energy: -664.518571
where:
bonds (distance) C4'-P energy: -133.116
bonds (distance) P-C4' energy: -119.467
flat angles C4'-P-C4' energy: -139.513
flat angles P-C4'-P energy: -90.004
tors. eta vs tors. theta energy: -182.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1946.196220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.196220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.196220 (E_RNA)
where:
Base-Base interactions energy: -1305.798
where: short stacking energy: -571.625
Base-Backbone interact. energy: -1.947
local terms energy: -638.451519
where:
bonds (distance) C4'-P energy: -122.815
bonds (distance) P-C4' energy: -117.401
flat angles C4'-P-C4' energy: -145.994
flat angles P-C4'-P energy: -107.059
tors. eta vs tors. theta energy: -145.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1679.237253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.237253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.237253 (E_RNA)
where:
Base-Base interactions energy: -1089.964
where: short stacking energy: -469.771
Base-Backbone interact. energy: -3.605
local terms energy: -585.668463
where:
bonds (distance) C4'-P energy: -131.497
bonds (distance) P-C4' energy: -127.210
flat angles C4'-P-C4' energy: -126.983
flat angles P-C4'-P energy: -87.155
tors. eta vs tors. theta energy: -112.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1590.505480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.505480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.505480 (E_RNA)
where:
Base-Base interactions energy: -1006.222
where: short stacking energy: -464.616
Base-Backbone interact. energy: -1.155
local terms energy: -583.127880
where:
bonds (distance) C4'-P energy: -111.615
bonds (distance) P-C4' energy: -134.879
flat angles C4'-P-C4' energy: -141.220
flat angles P-C4'-P energy: -95.546
tors. eta vs tors. theta energy: -99.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -879.085127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.085127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.085127 (E_RNA)
where:
Base-Base interactions energy: -467.882
where: short stacking energy: -258.003
Base-Backbone interact. energy: 7.112
local terms energy: -418.315037
where:
bonds (distance) C4'-P energy: -113.789
bonds (distance) P-C4' energy: -125.440
flat angles C4'-P-C4' energy: -101.447
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -856.501811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.501811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.501811 (E_RNA)
where:
Base-Base interactions energy: -461.632
where: short stacking energy: -250.473
Base-Backbone interact. energy: -3.954
local terms energy: -390.915799
where:
bonds (distance) C4'-P energy: -116.703
bonds (distance) P-C4' energy: -108.568
flat angles C4'-P-C4' energy: -97.406
flat angles P-C4'-P energy: -67.750
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2604.209700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.209700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.209700 (E_RNA)
where:
Base-Base interactions energy: -1771.076
where: short stacking energy: -780.064
Base-Backbone interact. energy: -5.327
local terms energy: -827.806543
where:
bonds (distance) C4'-P energy: -160.923
bonds (distance) P-C4' energy: -139.746
flat angles C4'-P-C4' energy: -169.847
flat angles P-C4'-P energy: -116.826
tors. eta vs tors. theta energy: -240.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2490.573394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.573394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.573394 (E_RNA)
where:
Base-Base interactions energy: -1677.180
where: short stacking energy: -763.575
Base-Backbone interact. energy: -1.910
local terms energy: -811.482771
where:
bonds (distance) C4'-P energy: -132.330
bonds (distance) P-C4' energy: -155.861
flat angles C4'-P-C4' energy: -178.034
flat angles P-C4'-P energy: -121.536
tors. eta vs tors. theta energy: -223.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2438.698907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.698907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.698907 (E_RNA)
where:
Base-Base interactions energy: -1654.616
where: short stacking energy: -715.294
Base-Backbone interact. energy: -1.354
local terms energy: -782.729520
where:
bonds (distance) C4'-P energy: -153.568
bonds (distance) P-C4' energy: -144.962
flat angles C4'-P-C4' energy: -162.587
flat angles P-C4'-P energy: -116.580
tors. eta vs tors. theta energy: -205.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2292.145645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.145645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.145645 (E_RNA)
where:
Base-Base interactions energy: -1549.414
where: short stacking energy: -679.925
Base-Backbone interact. energy: -4.005
local terms energy: -738.726579
where:
bonds (distance) C4'-P energy: -133.874
bonds (distance) P-C4' energy: -134.838
flat angles C4'-P-C4' energy: -162.257
flat angles P-C4'-P energy: -106.840
tors. eta vs tors. theta energy: -200.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2118.286336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.286336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.286336 (E_RNA)
where:
Base-Base interactions energy: -1457.341
where: short stacking energy: -585.013
Base-Backbone interact. energy: 2.204
local terms energy: -663.150073
where:
bonds (distance) C4'-P energy: -130.048
bonds (distance) P-C4' energy: -129.266
flat angles C4'-P-C4' energy: -147.949
flat angles P-C4'-P energy: -90.337
tors. eta vs tors. theta energy: -165.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1955.215653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.215653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.215653 (E_RNA)
where:
Base-Base interactions energy: -1320.860
where: short stacking energy: -573.627
Base-Backbone interact. energy: -1.589
local terms energy: -632.766140
where:
bonds (distance) C4'-P energy: -131.762
bonds (distance) P-C4' energy: -125.895
flat angles C4'-P-C4' energy: -143.639
flat angles P-C4'-P energy: -85.960
tors. eta vs tors. theta energy: -145.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1609.382145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.382145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.382145 (E_RNA)
where:
Base-Base interactions energy: -1042.846
where: short stacking energy: -506.591
Base-Backbone interact. energy: 1.650
local terms energy: -568.185280
where:
bonds (distance) C4'-P energy: -125.360
bonds (distance) P-C4' energy: -109.721
flat angles C4'-P-C4' energy: -132.106
flat angles P-C4'-P energy: -90.887
tors. eta vs tors. theta energy: -110.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1521.915648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.915648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.915648 (E_RNA)
where:
Base-Base interactions energy: -965.084
where: short stacking energy: -460.927
Base-Backbone interact. energy: -0.063
local terms energy: -556.767936
where:
bonds (distance) C4'-P energy: -119.683
bonds (distance) P-C4' energy: -113.430
flat angles C4'-P-C4' energy: -136.986
flat angles P-C4'-P energy: -89.897
tors. eta vs tors. theta energy: -96.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -899.976667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.976667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.976667 (E_RNA)
where:
Base-Base interactions energy: -493.666
where: short stacking energy: -243.713
Base-Backbone interact. energy: 9.444
local terms energy: -415.754786
where:
bonds (distance) C4'-P energy: -109.459
bonds (distance) P-C4' energy: -127.461
flat angles C4'-P-C4' energy: -117.647
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -847.926535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.926535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.926535 (E_RNA)
where:
Base-Base interactions energy: -468.957
where: short stacking energy: -258.411
Base-Backbone interact. energy: 3.946
local terms energy: -382.915711
where:
bonds (distance) C4'-P energy: -102.311
bonds (distance) P-C4' energy: -110.597
flat angles C4'-P-C4' energy: -113.789
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2600.516716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.516716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.516716 (E_RNA)
where:
Base-Base interactions energy: -1770.183
where: short stacking energy: -787.849
Base-Backbone interact. energy: -1.521
local terms energy: -828.812612
where:
bonds (distance) C4'-P energy: -159.581
bonds (distance) P-C4' energy: -141.157
flat angles C4'-P-C4' energy: -170.227
flat angles P-C4'-P energy: -119.848
tors. eta vs tors. theta energy: -237.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2485.245021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.245021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.245021 (E_RNA)
where:
Base-Base interactions energy: -1698.250
where: short stacking energy: -761.329
Base-Backbone interact. energy: -2.051
local terms energy: -784.943823
where:
bonds (distance) C4'-P energy: -139.388
bonds (distance) P-C4' energy: -143.554
flat angles C4'-P-C4' energy: -165.120
flat angles P-C4'-P energy: -118.583
tors. eta vs tors. theta energy: -218.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2412.095831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.095831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.095831 (E_RNA)
where:
Base-Base interactions energy: -1670.989
where: short stacking energy: -705.591
Base-Backbone interact. energy: -3.281
local terms energy: -737.826312
where:
bonds (distance) C4'-P energy: -128.677
bonds (distance) P-C4' energy: -145.491
flat angles C4'-P-C4' energy: -155.645
flat angles P-C4'-P energy: -104.761
tors. eta vs tors. theta energy: -203.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2274.200404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.200404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.200404 (E_RNA)
where:
Base-Base interactions energy: -1551.619
where: short stacking energy: -696.419
Base-Backbone interact. energy: -0.084
local terms energy: -722.497518
where:
bonds (distance) C4'-P energy: -124.796
bonds (distance) P-C4' energy: -143.701
flat angles C4'-P-C4' energy: -143.641
flat angles P-C4'-P energy: -106.103
tors. eta vs tors. theta energy: -204.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2095.075124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.075124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.075124 (E_RNA)
where:
Base-Base interactions energy: -1416.968
where: short stacking energy: -597.222
Base-Backbone interact. energy: -3.137
local terms energy: -674.970386
where:
bonds (distance) C4'-P energy: -117.441
bonds (distance) P-C4' energy: -139.252
flat angles C4'-P-C4' energy: -151.518
flat angles P-C4'-P energy: -95.435
tors. eta vs tors. theta energy: -171.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1968.521497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.521497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.521497 (E_RNA)
where:
Base-Base interactions energy: -1341.670
where: short stacking energy: -575.785
Base-Backbone interact. energy: -2.931
local terms energy: -623.920382
where:
bonds (distance) C4'-P energy: -118.501
bonds (distance) P-C4' energy: -119.874
flat angles C4'-P-C4' energy: -142.807
flat angles P-C4'-P energy: -86.119
tors. eta vs tors. theta energy: -156.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1619.393754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.393754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.393754 (E_RNA)
where:
Base-Base interactions energy: -1030.551
where: short stacking energy: -480.438
Base-Backbone interact. energy: 1.220
local terms energy: -590.062119
where:
bonds (distance) C4'-P energy: -131.831
bonds (distance) P-C4' energy: -133.972
flat angles C4'-P-C4' energy: -134.904
flat angles P-C4'-P energy: -85.947
tors. eta vs tors. theta energy: -103.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1609.349428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.349428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.349428 (E_RNA)
where:
Base-Base interactions energy: -1033.364
where: short stacking energy: -460.393
Base-Backbone interact. energy: 4.402
local terms energy: -580.387902
where:
bonds (distance) C4'-P energy: -124.338
bonds (distance) P-C4' energy: -137.077
flat angles C4'-P-C4' energy: -111.293
flat angles P-C4'-P energy: -92.039
tors. eta vs tors. theta energy: -115.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -928.906715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.906715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.906715 (E_RNA)
where:
Base-Base interactions energy: -526.772
where: short stacking energy: -283.201
Base-Backbone interact. energy: -2.962
local terms energy: -399.172700
where:
bonds (distance) C4'-P energy: -98.301
bonds (distance) P-C4' energy: -113.064
flat angles C4'-P-C4' energy: -102.576
flat angles P-C4'-P energy: -50.366
tors. eta vs tors. theta energy: -34.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -874.943111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.943111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.943111 (E_RNA)
where:
Base-Base interactions energy: -456.011
where: short stacking energy: -269.861
Base-Backbone interact. energy: 2.167
local terms energy: -421.098455
where:
bonds (distance) C4'-P energy: -112.955
bonds (distance) P-C4' energy: -114.362
flat angles C4'-P-C4' energy: -103.688
flat angles P-C4'-P energy: -68.853
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2596.170056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.170056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.170056 (E_RNA)
where:
Base-Base interactions energy: -1800.943
where: short stacking energy: -789.687
Base-Backbone interact. energy: -2.902
local terms energy: -792.325054
where:
bonds (distance) C4'-P energy: -140.846
bonds (distance) P-C4' energy: -142.029
flat angles C4'-P-C4' energy: -169.435
flat angles P-C4'-P energy: -112.228
tors. eta vs tors. theta energy: -227.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2462.332789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.332789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.332789 (E_RNA)
where:
Base-Base interactions energy: -1664.658
where: short stacking energy: -743.184
Base-Backbone interact. energy: -1.181
local terms energy: -796.493633
where:
bonds (distance) C4'-P energy: -136.294
bonds (distance) P-C4' energy: -156.574
flat angles C4'-P-C4' energy: -170.223
flat angles P-C4'-P energy: -117.823
tors. eta vs tors. theta energy: -215.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2412.489815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.489815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.489815 (E_RNA)
where:
Base-Base interactions energy: -1668.225
where: short stacking energy: -721.005
Base-Backbone interact. energy: -2.848
local terms energy: -741.417000
where:
bonds (distance) C4'-P energy: -115.341
bonds (distance) P-C4' energy: -146.645
flat angles C4'-P-C4' energy: -168.843
flat angles P-C4'-P energy: -100.250
tors. eta vs tors. theta energy: -210.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2255.066386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.066386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.066386 (E_RNA)
where:
Base-Base interactions energy: -1548.844
where: short stacking energy: -691.188
Base-Backbone interact. energy: -1.527
local terms energy: -704.695311
where:
bonds (distance) C4'-P energy: -123.274
bonds (distance) P-C4' energy: -140.665
flat angles C4'-P-C4' energy: -139.079
flat angles P-C4'-P energy: -105.852
tors. eta vs tors. theta energy: -195.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2110.696654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.696654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.696654 (E_RNA)
where:
Base-Base interactions energy: -1446.578
where: short stacking energy: -605.845
Base-Backbone interact. energy: -5.135
local terms energy: -658.983997
where:
bonds (distance) C4'-P energy: -145.495
bonds (distance) P-C4' energy: -115.424
flat angles C4'-P-C4' energy: -134.343
flat angles P-C4'-P energy: -85.624
tors. eta vs tors. theta energy: -178.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2010.505153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.505153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.505153 (E_RNA)
where:
Base-Base interactions energy: -1379.711
where: short stacking energy: -578.723
Base-Backbone interact. energy: -5.933
local terms energy: -624.860876
where:
bonds (distance) C4'-P energy: -105.406
bonds (distance) P-C4' energy: -133.084
flat angles C4'-P-C4' energy: -143.970
flat angles P-C4'-P energy: -86.537
tors. eta vs tors. theta energy: -155.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1650.479594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.479594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.479594 (E_RNA)
where:
Base-Base interactions energy: -1071.331
where: short stacking energy: -511.541
Base-Backbone interact. energy: -2.398
local terms energy: -576.750654
where:
bonds (distance) C4'-P energy: -118.121
bonds (distance) P-C4' energy: -136.408
flat angles C4'-P-C4' energy: -124.154
flat angles P-C4'-P energy: -81.825
tors. eta vs tors. theta energy: -116.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1559.412459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.412459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.412459 (E_RNA)
where:
Base-Base interactions energy: -996.944
where: short stacking energy: -474.716
Base-Backbone interact. energy: -4.613
local terms energy: -557.855768
where:
bonds (distance) C4'-P energy: -113.557
bonds (distance) P-C4' energy: -128.176
flat angles C4'-P-C4' energy: -133.556
flat angles P-C4'-P energy: -65.122
tors. eta vs tors. theta energy: -117.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -938.016385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.016385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.016385 (E_RNA)
where:
Base-Base interactions energy: -493.420
where: short stacking energy: -256.970
Base-Backbone interact. energy: 3.732
local terms energy: -448.327940
where:
bonds (distance) C4'-P energy: -109.582
bonds (distance) P-C4' energy: -129.540
flat angles C4'-P-C4' energy: -120.389
flat angles P-C4'-P energy: -64.100
tors. eta vs tors. theta energy: -24.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -861.079453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.079453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.079453 (E_RNA)
where:
Base-Base interactions energy: -471.267
where: short stacking energy: -253.976
Base-Backbone interact. energy: -2.716
local terms energy: -387.096787
where:
bonds (distance) C4'-P energy: -112.888
bonds (distance) P-C4' energy: -107.264
flat angles C4'-P-C4' energy: -94.790
flat angles P-C4'-P energy: -63.370
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2612.358241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.358241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.358241 (E_RNA)
where:
Base-Base interactions energy: -1785.310
where: short stacking energy: -775.017
Base-Backbone interact. energy: -2.067
local terms energy: -824.981511
where:
bonds (distance) C4'-P energy: -142.147
bonds (distance) P-C4' energy: -161.835
flat angles C4'-P-C4' energy: -164.855
flat angles P-C4'-P energy: -119.006
tors. eta vs tors. theta energy: -237.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2457.151428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.151428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.151428 (E_RNA)
where:
Base-Base interactions energy: -1677.658
where: short stacking energy: -733.324
Base-Backbone interact. energy: 2.614
local terms energy: -782.107376
where:
bonds (distance) C4'-P energy: -137.135
bonds (distance) P-C4' energy: -146.289
flat angles C4'-P-C4' energy: -154.337
flat angles P-C4'-P energy: -116.497
tors. eta vs tors. theta energy: -227.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2402.404570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.404570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.404570 (E_RNA)
where:
Base-Base interactions energy: -1666.236
where: short stacking energy: -723.897
Base-Backbone interact. energy: -5.297
local terms energy: -730.871686
where:
bonds (distance) C4'-P energy: -129.023
bonds (distance) P-C4' energy: -131.789
flat angles C4'-P-C4' energy: -161.657
flat angles P-C4'-P energy: -96.529
tors. eta vs tors. theta energy: -211.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2304.603263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.603263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.603263 (E_RNA)
where:
Base-Base interactions energy: -1579.787
where: short stacking energy: -683.100
Base-Backbone interact. energy: 0.767
local terms energy: -725.583195
where:
bonds (distance) C4'-P energy: -136.312
bonds (distance) P-C4' energy: -122.891
flat angles C4'-P-C4' energy: -157.531
flat angles P-C4'-P energy: -113.289
tors. eta vs tors. theta energy: -195.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2105.560259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.560259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.560259 (E_RNA)
where:
Base-Base interactions energy: -1469.826
where: short stacking energy: -634.153
Base-Backbone interact. energy: -0.758
local terms energy: -634.975885
where:
bonds (distance) C4'-P energy: -116.079
bonds (distance) P-C4' energy: -130.693
flat angles C4'-P-C4' energy: -127.603
flat angles P-C4'-P energy: -93.523
tors. eta vs tors. theta energy: -167.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1962.219843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.219843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.219843 (E_RNA)
where:
Base-Base interactions energy: -1299.689
where: short stacking energy: -568.998
Base-Backbone interact. energy: -3.347
local terms energy: -659.183651
where:
bonds (distance) C4'-P energy: -118.823
bonds (distance) P-C4' energy: -135.091
flat angles C4'-P-C4' energy: -151.830
flat angles P-C4'-P energy: -98.822
tors. eta vs tors. theta energy: -154.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1690.717677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.717677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.717677 (E_RNA)
where:
Base-Base interactions energy: -1098.819
where: short stacking energy: -494.480
Base-Backbone interact. energy: -3.641
local terms energy: -588.258016
where:
bonds (distance) C4'-P energy: -112.464
bonds (distance) P-C4' energy: -122.062
flat angles C4'-P-C4' energy: -138.708
flat angles P-C4'-P energy: -91.530
tors. eta vs tors. theta energy: -123.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1503.891762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.891762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.891762 (E_RNA)
where:
Base-Base interactions energy: -946.400
where: short stacking energy: -435.380
Base-Backbone interact. energy: 0.946
local terms energy: -558.436968
where:
bonds (distance) C4'-P energy: -121.464
bonds (distance) P-C4' energy: -128.440
flat angles C4'-P-C4' energy: -138.087
flat angles P-C4'-P energy: -79.407
tors. eta vs tors. theta energy: -91.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -938.158719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.158719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.158719 (E_RNA)
where:
Base-Base interactions energy: -519.846
where: short stacking energy: -250.584
Base-Backbone interact. energy: -2.809
local terms energy: -415.503007
where:
bonds (distance) C4'-P energy: -119.835
bonds (distance) P-C4' energy: -134.340
flat angles C4'-P-C4' energy: -109.976
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -928.340107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.340107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.340107 (E_RNA)
where:
Base-Base interactions energy: -502.108
where: short stacking energy: -262.199
Base-Backbone interact. energy: 0.632
local terms energy: -426.864002
where:
bonds (distance) C4'-P energy: -119.265
bonds (distance) P-C4' energy: -133.724
flat angles C4'-P-C4' energy: -108.845
flat angles P-C4'-P energy: -57.663
tors. eta vs tors. theta energy: -7.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2602.366723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.366723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.366723 (E_RNA)
where:
Base-Base interactions energy: -1800.766
where: short stacking energy: -776.062
Base-Backbone interact. energy: -1.583
local terms energy: -800.017461
where:
bonds (distance) C4'-P energy: -143.643
bonds (distance) P-C4' energy: -154.368
flat angles C4'-P-C4' energy: -155.080
flat angles P-C4'-P energy: -120.240
tors. eta vs tors. theta energy: -226.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2486.075591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.075591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.075591 (E_RNA)
where:
Base-Base interactions energy: -1706.654
where: short stacking energy: -742.475
Base-Backbone interact. energy: -2.205
local terms energy: -777.217399
where:
bonds (distance) C4'-P energy: -142.402
bonds (distance) P-C4' energy: -141.839
flat angles C4'-P-C4' energy: -162.455
flat angles P-C4'-P energy: -108.875
tors. eta vs tors. theta energy: -221.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2399.114527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.114527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.114527 (E_RNA)
where:
Base-Base interactions energy: -1629.055
where: short stacking energy: -706.976
Base-Backbone interact. energy: -1.750
local terms energy: -768.310095
where:
bonds (distance) C4'-P energy: -135.833
bonds (distance) P-C4' energy: -146.138
flat angles C4'-P-C4' energy: -157.209
flat angles P-C4'-P energy: -125.319
tors. eta vs tors. theta energy: -203.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2316.225639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.225639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.225639 (E_RNA)
where:
Base-Base interactions energy: -1586.117
where: short stacking energy: -671.834
Base-Backbone interact. energy: -1.184
local terms energy: -728.924899
where:
bonds (distance) C4'-P energy: -133.818
bonds (distance) P-C4' energy: -138.941
flat angles C4'-P-C4' energy: -155.971
flat angles P-C4'-P energy: -100.643
tors. eta vs tors. theta energy: -199.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2059.718145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.718145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.718145 (E_RNA)
where:
Base-Base interactions energy: -1389.678
where: short stacking energy: -606.727
Base-Backbone interact. energy: 0.170
local terms energy: -670.209700
where:
bonds (distance) C4'-P energy: -124.395
bonds (distance) P-C4' energy: -139.858
flat angles C4'-P-C4' energy: -153.634
flat angles P-C4'-P energy: -93.814
tors. eta vs tors. theta energy: -158.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1975.134747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.134747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.134747 (E_RNA)
where:
Base-Base interactions energy: -1332.617
where: short stacking energy: -591.431
Base-Backbone interact. energy: 1.610
local terms energy: -644.127960
where:
bonds (distance) C4'-P energy: -114.699
bonds (distance) P-C4' energy: -116.101
flat angles C4'-P-C4' energy: -153.045
flat angles P-C4'-P energy: -104.855
tors. eta vs tors. theta energy: -155.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1782.291152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.291152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.291152 (E_RNA)
where:
Base-Base interactions energy: -1201.453
where: short stacking energy: -529.585
Base-Backbone interact. energy: 3.206
local terms energy: -584.043528
where:
bonds (distance) C4'-P energy: -119.156
bonds (distance) P-C4' energy: -125.489
flat angles C4'-P-C4' energy: -122.274
flat angles P-C4'-P energy: -80.583
tors. eta vs tors. theta energy: -136.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1604.683516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.683516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.683516 (E_RNA)
where:
Base-Base interactions energy: -1019.850
where: short stacking energy: -465.900
Base-Backbone interact. energy: -1.952
local terms energy: -582.881009
where:
bonds (distance) C4'-P energy: -128.302
bonds (distance) P-C4' energy: -122.491
flat angles C4'-P-C4' energy: -147.563
flat angles P-C4'-P energy: -68.014
tors. eta vs tors. theta energy: -116.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -834.640298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.640298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.640298 (E_RNA)
where:
Base-Base interactions energy: -465.274
where: short stacking energy: -250.535
Base-Backbone interact. energy: 3.542
local terms energy: -372.908044
where:
bonds (distance) C4'-P energy: -114.114
bonds (distance) P-C4' energy: -105.511
flat angles C4'-P-C4' energy: -93.765
flat angles P-C4'-P energy: -66.164
tors. eta vs tors. theta energy: 6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -883.810530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.810530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.810530 (E_RNA)
where:
Base-Base interactions energy: -450.367
where: short stacking energy: -253.507
Base-Backbone interact. energy: 0.434
local terms energy: -433.877839
where:
bonds (distance) C4'-P energy: -113.475
bonds (distance) P-C4' energy: -123.912
flat angles C4'-P-C4' energy: -113.159
flat angles P-C4'-P energy: -61.424
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2614.016241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.016241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.016241 (E_RNA)
where:
Base-Base interactions energy: -1814.367
where: short stacking energy: -793.154
Base-Backbone interact. energy: -3.965
local terms energy: -795.684727
where:
bonds (distance) C4'-P energy: -139.967
bonds (distance) P-C4' energy: -145.646
flat angles C4'-P-C4' energy: -170.513
flat angles P-C4'-P energy: -105.923
tors. eta vs tors. theta energy: -233.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2448.907779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.907779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.907779 (E_RNA)
where:
Base-Base interactions energy: -1680.811
where: short stacking energy: -730.729
Base-Backbone interact. energy: -1.276
local terms energy: -766.821063
where:
bonds (distance) C4'-P energy: -136.448
bonds (distance) P-C4' energy: -138.693
flat angles C4'-P-C4' energy: -164.599
flat angles P-C4'-P energy: -105.057
tors. eta vs tors. theta energy: -222.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2399.755866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.755866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.755866 (E_RNA)
where:
Base-Base interactions energy: -1661.814
where: short stacking energy: -717.026
Base-Backbone interact. energy: 4.055
local terms energy: -741.997222
where:
bonds (distance) C4'-P energy: -127.881
bonds (distance) P-C4' energy: -150.464
flat angles C4'-P-C4' energy: -155.190
flat angles P-C4'-P energy: -92.892
tors. eta vs tors. theta energy: -215.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2313.410274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.410274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.410274 (E_RNA)
where:
Base-Base interactions energy: -1587.816
where: short stacking energy: -694.699
Base-Backbone interact. energy: -3.135
local terms energy: -722.459298
where:
bonds (distance) C4'-P energy: -122.460
bonds (distance) P-C4' energy: -142.268
flat angles C4'-P-C4' energy: -148.170
flat angles P-C4'-P energy: -111.344
tors. eta vs tors. theta energy: -198.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1995.805115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.805115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.805115 (E_RNA)
where:
Base-Base interactions energy: -1316.904
where: short stacking energy: -581.311
Base-Backbone interact. energy: -1.938
local terms energy: -676.962697
where:
bonds (distance) C4'-P energy: -110.249
bonds (distance) P-C4' energy: -153.079
flat angles C4'-P-C4' energy: -163.959
flat angles P-C4'-P energy: -103.652
tors. eta vs tors. theta energy: -146.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2065.365318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.365318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.365318 (E_RNA)
where:
Base-Base interactions energy: -1400.119
where: short stacking energy: -604.128
Base-Backbone interact. energy: -0.841
local terms energy: -664.405517
where:
bonds (distance) C4'-P energy: -122.674
bonds (distance) P-C4' energy: -138.466
flat angles C4'-P-C4' energy: -149.848
flat angles P-C4'-P energy: -86.007
tors. eta vs tors. theta energy: -167.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1736.638819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.638819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.638819 (E_RNA)
where:
Base-Base interactions energy: -1175.142
where: short stacking energy: -542.254
Base-Backbone interact. energy: -0.259
local terms energy: -561.237601
where:
bonds (distance) C4'-P energy: -111.446
bonds (distance) P-C4' energy: -113.350
flat angles C4'-P-C4' energy: -122.792
flat angles P-C4'-P energy: -94.559
tors. eta vs tors. theta energy: -119.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1537.123101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.123101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.123101 (E_RNA)
where:
Base-Base interactions energy: -992.150
where: short stacking energy: -456.050
Base-Backbone interact. energy: -0.684
local terms energy: -544.289467
where:
bonds (distance) C4'-P energy: -94.820
bonds (distance) P-C4' energy: -125.404
flat angles C4'-P-C4' energy: -131.329
flat angles P-C4'-P energy: -91.854
tors. eta vs tors. theta energy: -100.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -808.774138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.774138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.774138 (E_RNA)
where:
Base-Base interactions energy: -398.924
where: short stacking energy: -222.903
Base-Backbone interact. energy: 3.159
local terms energy: -413.009302
where:
bonds (distance) C4'-P energy: -115.280
bonds (distance) P-C4' energy: -113.049
flat angles C4'-P-C4' energy: -119.434
flat angles P-C4'-P energy: -61.894
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -781.438626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.438626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.438626 (E_RNA)
where:
Base-Base interactions energy: -408.687
where: short stacking energy: -207.210
Base-Backbone interact. energy: -1.034
local terms energy: -371.717144
where:
bonds (distance) C4'-P energy: -130.815
bonds (distance) P-C4' energy: -116.800
flat angles C4'-P-C4' energy: -83.660
flat angles P-C4'-P energy: -58.033
tors. eta vs tors. theta energy: 17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2604.773146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.773146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.773146 (E_RNA)
where:
Base-Base interactions energy: -1792.061
where: short stacking energy: -753.092
Base-Backbone interact. energy: -2.356
local terms energy: -810.356220
where:
bonds (distance) C4'-P energy: -147.437
bonds (distance) P-C4' energy: -129.120
flat angles C4'-P-C4' energy: -169.781
flat angles P-C4'-P energy: -125.584
tors. eta vs tors. theta energy: -238.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2466.627332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.627332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.627332 (E_RNA)
where:
Base-Base interactions energy: -1676.213
where: short stacking energy: -726.302
Base-Backbone interact. energy: -2.901
local terms energy: -787.513610
where:
bonds (distance) C4'-P energy: -131.458
bonds (distance) P-C4' energy: -144.971
flat angles C4'-P-C4' energy: -166.176
flat angles P-C4'-P energy: -117.587
tors. eta vs tors. theta energy: -227.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2406.110208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.110208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.110208 (E_RNA)
where:
Base-Base interactions energy: -1632.776
where: short stacking energy: -719.330
Base-Backbone interact. energy: -3.921
local terms energy: -769.413147
where:
bonds (distance) C4'-P energy: -133.137
bonds (distance) P-C4' energy: -150.464
flat angles C4'-P-C4' energy: -162.305
flat angles P-C4'-P energy: -108.782
tors. eta vs tors. theta energy: -214.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2339.440234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.440234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.440234 (E_RNA)
where:
Base-Base interactions energy: -1568.067
where: short stacking energy: -667.129
Base-Backbone interact. energy: -3.560
local terms energy: -767.813426
where:
bonds (distance) C4'-P energy: -148.148
bonds (distance) P-C4' energy: -137.402
flat angles C4'-P-C4' energy: -162.760
flat angles P-C4'-P energy: -111.980
tors. eta vs tors. theta energy: -207.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2072.020994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.020994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.020994 (E_RNA)
where:
Base-Base interactions energy: -1396.477
where: short stacking energy: -650.851
Base-Backbone interact. energy: -2.158
local terms energy: -673.385814
where:
bonds (distance) C4'-P energy: -125.046
bonds (distance) P-C4' energy: -121.826
flat angles C4'-P-C4' energy: -152.766
flat angles P-C4'-P energy: -88.743
tors. eta vs tors. theta energy: -185.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2002.632399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.632399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.632399 (E_RNA)
where:
Base-Base interactions energy: -1372.619
where: short stacking energy: -591.089
Base-Backbone interact. energy: -0.103
local terms energy: -629.910532
where:
bonds (distance) C4'-P energy: -118.873
bonds (distance) P-C4' energy: -128.663
flat angles C4'-P-C4' energy: -145.566
flat angles P-C4'-P energy: -93.388
tors. eta vs tors. theta energy: -143.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1694.650002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.650002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.650002 (E_RNA)
where:
Base-Base interactions energy: -1128.076
where: short stacking energy: -524.433
Base-Backbone interact. energy: -1.018
local terms energy: -565.555253
where:
bonds (distance) C4'-P energy: -115.159
bonds (distance) P-C4' energy: -109.243
flat angles C4'-P-C4' energy: -129.317
flat angles P-C4'-P energy: -79.999
tors. eta vs tors. theta energy: -131.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1581.166959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.166959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.166959 (E_RNA)
where:
Base-Base interactions energy: -1028.002
where: short stacking energy: -458.794
Base-Backbone interact. energy: -4.591
local terms energy: -548.574572
where:
bonds (distance) C4'-P energy: -111.052
bonds (distance) P-C4' energy: -128.360
flat angles C4'-P-C4' energy: -128.088
flat angles P-C4'-P energy: -84.257
tors. eta vs tors. theta energy: -96.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -824.410355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.410355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.410355 (E_RNA)
where:
Base-Base interactions energy: -429.995
where: short stacking energy: -264.448
Base-Backbone interact. energy: -0.076
local terms energy: -394.339125
where:
bonds (distance) C4'-P energy: -124.530
bonds (distance) P-C4' energy: -120.026
flat angles C4'-P-C4' energy: -88.450
flat angles P-C4'-P energy: -59.292
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -797.816646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.816646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.816646 (E_RNA)
where:
Base-Base interactions energy: -407.080
where: short stacking energy: -236.137
Base-Backbone interact. energy: -1.806
local terms energy: -388.931126
where:
bonds (distance) C4'-P energy: -100.349
bonds (distance) P-C4' energy: -106.155
flat angles C4'-P-C4' energy: -115.591
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: 0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2586.106030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.106030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.106030 (E_RNA)
where:
Base-Base interactions energy: -1795.849
where: short stacking energy: -768.518
Base-Backbone interact. energy: -0.233
local terms energy: -790.023763
where:
bonds (distance) C4'-P energy: -149.165
bonds (distance) P-C4' energy: -132.464
flat angles C4'-P-C4' energy: -165.446
flat angles P-C4'-P energy: -110.103
tors. eta vs tors. theta energy: -232.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2446.122686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.122686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.122686 (E_RNA)
where:
Base-Base interactions energy: -1658.382
where: short stacking energy: -744.740
Base-Backbone interact. energy: -0.105
local terms energy: -787.636361
where:
bonds (distance) C4'-P energy: -151.811
bonds (distance) P-C4' energy: -138.846
flat angles C4'-P-C4' energy: -159.623
flat angles P-C4'-P energy: -111.771
tors. eta vs tors. theta energy: -225.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2386.673672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.673672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.673672 (E_RNA)
where:
Base-Base interactions energy: -1657.099
where: short stacking energy: -710.562
Base-Backbone interact. energy: -2.974
local terms energy: -726.600824
where:
bonds (distance) C4'-P energy: -145.788
bonds (distance) P-C4' energy: -123.618
flat angles C4'-P-C4' energy: -150.211
flat angles P-C4'-P energy: -96.769
tors. eta vs tors. theta energy: -210.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2290.815072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.815072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.815072 (E_RNA)
where:
Base-Base interactions energy: -1602.775
where: short stacking energy: -666.895
Base-Backbone interact. energy: 5.459
local terms energy: -693.498975
where:
bonds (distance) C4'-P energy: -129.138
bonds (distance) P-C4' energy: -127.066
flat angles C4'-P-C4' energy: -153.200
flat angles P-C4'-P energy: -90.005
tors. eta vs tors. theta energy: -194.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2120.494866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.494866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.494866 (E_RNA)
where:
Base-Base interactions energy: -1468.493
where: short stacking energy: -592.997
Base-Backbone interact. energy: 0.340
local terms energy: -652.341129
where:
bonds (distance) C4'-P energy: -112.018
bonds (distance) P-C4' energy: -139.858
flat angles C4'-P-C4' energy: -135.470
flat angles P-C4'-P energy: -99.124
tors. eta vs tors. theta energy: -165.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -2001.880852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.880852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.880852 (E_RNA)
where:
Base-Base interactions energy: -1353.628
where: short stacking energy: -589.853
Base-Backbone interact. energy: -0.027
local terms energy: -648.225816
where:
bonds (distance) C4'-P energy: -125.269
bonds (distance) P-C4' energy: -130.534
flat angles C4'-P-C4' energy: -142.865
flat angles P-C4'-P energy: -90.729
tors. eta vs tors. theta energy: -158.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1770.095164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.095164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.095164 (E_RNA)
where:
Base-Base interactions energy: -1114.285
where: short stacking energy: -487.052
Base-Backbone interact. energy: 0.037
local terms energy: -655.847644
where:
bonds (distance) C4'-P energy: -137.092
bonds (distance) P-C4' energy: -146.147
flat angles C4'-P-C4' energy: -155.566
flat angles P-C4'-P energy: -87.877
tors. eta vs tors. theta energy: -129.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1493.614253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.614253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.614253 (E_RNA)
where:
Base-Base interactions energy: -979.327
where: short stacking energy: -456.697
Base-Backbone interact. energy: -2.863
local terms energy: -511.424561
where:
bonds (distance) C4'-P energy: -107.898
bonds (distance) P-C4' energy: -106.322
flat angles C4'-P-C4' energy: -128.712
flat angles P-C4'-P energy: -79.327
tors. eta vs tors. theta energy: -89.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -899.322706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.322706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.322706 (E_RNA)
where:
Base-Base interactions energy: -494.001
where: short stacking energy: -262.809
Base-Backbone interact. energy: 2.606
local terms energy: -407.927692
where:
bonds (distance) C4'-P energy: -108.071
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -109.319
flat angles P-C4'-P energy: -66.601
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -857.181927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.181927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.181927 (E_RNA)
where:
Base-Base interactions energy: -436.860
where: short stacking energy: -232.447
Base-Backbone interact. energy: 0.739
local terms energy: -421.060347
where:
bonds (distance) C4'-P energy: -106.682
bonds (distance) P-C4' energy: -123.755
flat angles C4'-P-C4' energy: -122.602
flat angles P-C4'-P energy: -55.010
tors. eta vs tors. theta energy: -13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2612.992998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.992998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.992998 (E_RNA)
where:
Base-Base interactions energy: -1799.501
where: short stacking energy: -787.671
Base-Backbone interact. energy: -2.653
local terms energy: -810.838456
where:
bonds (distance) C4'-P energy: -148.513
bonds (distance) P-C4' energy: -152.822
flat angles C4'-P-C4' energy: -152.538
flat angles P-C4'-P energy: -121.845
tors. eta vs tors. theta energy: -235.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2484.822442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.822442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.822442 (E_RNA)
where:
Base-Base interactions energy: -1686.295
where: short stacking energy: -746.596
Base-Backbone interact. energy: 6.284
local terms energy: -804.811693
where:
bonds (distance) C4'-P energy: -143.276
bonds (distance) P-C4' energy: -145.683
flat angles C4'-P-C4' energy: -177.510
flat angles P-C4'-P energy: -118.779
tors. eta vs tors. theta energy: -219.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2407.375362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.375362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.375362 (E_RNA)
where:
Base-Base interactions energy: -1652.543
where: short stacking energy: -735.684
Base-Backbone interact. energy: -1.963
local terms energy: -752.869712
where:
bonds (distance) C4'-P energy: -133.835
bonds (distance) P-C4' energy: -131.751
flat angles C4'-P-C4' energy: -174.012
flat angles P-C4'-P energy: -102.239
tors. eta vs tors. theta energy: -211.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2292.924210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.924210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.924210 (E_RNA)
where:
Base-Base interactions energy: -1575.302
where: short stacking energy: -670.980
Base-Backbone interact. energy: -4.204
local terms energy: -713.417591
where:
bonds (distance) C4'-P energy: -129.051
bonds (distance) P-C4' energy: -132.735
flat angles C4'-P-C4' energy: -159.235
flat angles P-C4'-P energy: -102.830
tors. eta vs tors. theta energy: -189.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2147.049813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.049813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.049813 (E_RNA)
where:
Base-Base interactions energy: -1485.435
where: short stacking energy: -609.399
Base-Backbone interact. energy: 0.877
local terms energy: -662.491929
where:
bonds (distance) C4'-P energy: -131.654
bonds (distance) P-C4' energy: -127.683
flat angles C4'-P-C4' energy: -143.540
flat angles P-C4'-P energy: -97.517
tors. eta vs tors. theta energy: -162.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1920.395946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.395946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.395946 (E_RNA)
where:
Base-Base interactions energy: -1267.190
where: short stacking energy: -556.452
Base-Backbone interact. energy: -2.345
local terms energy: -650.860769
where:
bonds (distance) C4'-P energy: -129.297
bonds (distance) P-C4' energy: -135.306
flat angles C4'-P-C4' energy: -151.293
flat angles P-C4'-P energy: -89.120
tors. eta vs tors. theta energy: -145.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1764.642861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.642861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.642861 (E_RNA)
where:
Base-Base interactions energy: -1184.526
where: short stacking energy: -551.821
Base-Backbone interact. energy: 0.106
local terms energy: -580.222645
where:
bonds (distance) C4'-P energy: -105.324
bonds (distance) P-C4' energy: -120.988
flat angles C4'-P-C4' energy: -139.543
flat angles P-C4'-P energy: -87.929
tors. eta vs tors. theta energy: -126.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1536.799963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.799963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.799963 (E_RNA)
where:
Base-Base interactions energy: -987.306
where: short stacking energy: -456.453
Base-Backbone interact. energy: -2.865
local terms energy: -546.628498
where:
bonds (distance) C4'-P energy: -120.943
bonds (distance) P-C4' energy: -130.730
flat angles C4'-P-C4' energy: -110.919
flat angles P-C4'-P energy: -73.255
tors. eta vs tors. theta energy: -110.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -938.706370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.706370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.706370 (E_RNA)
where:
Base-Base interactions energy: -498.660
where: short stacking energy: -283.550
Base-Backbone interact. energy: 3.935
local terms energy: -443.981606
where:
bonds (distance) C4'-P energy: -122.675
bonds (distance) P-C4' energy: -123.962
flat angles C4'-P-C4' energy: -114.565
flat angles P-C4'-P energy: -56.069
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -821.782387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.782387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.782387 (E_RNA)
where:
Base-Base interactions energy: -419.737
where: short stacking energy: -241.415
Base-Backbone interact. energy: -0.073
local terms energy: -401.971906
where:
bonds (distance) C4'-P energy: -108.812
bonds (distance) P-C4' energy: -113.343
flat angles C4'-P-C4' energy: -105.621
flat angles P-C4'-P energy: -55.824
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2581.082054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.082054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.082054 (E_RNA)
where:
Base-Base interactions energy: -1789.963
where: short stacking energy: -771.857
Base-Backbone interact. energy: -3.155
local terms energy: -787.963664
where:
bonds (distance) C4'-P energy: -140.200
bonds (distance) P-C4' energy: -140.294
flat angles C4'-P-C4' energy: -168.353
flat angles P-C4'-P energy: -107.149
tors. eta vs tors. theta energy: -231.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2461.901330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.901330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.901330 (E_RNA)
where:
Base-Base interactions energy: -1684.556
where: short stacking energy: -721.981
Base-Backbone interact. energy: -4.975
local terms energy: -772.370333
where:
bonds (distance) C4'-P energy: -151.851
bonds (distance) P-C4' energy: -137.936
flat angles C4'-P-C4' energy: -147.795
flat angles P-C4'-P energy: -120.391
tors. eta vs tors. theta energy: -214.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2425.623851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.623851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.623851 (E_RNA)
where:
Base-Base interactions energy: -1667.046
where: short stacking energy: -685.513
Base-Backbone interact. energy: -2.923
local terms energy: -755.654694
where:
bonds (distance) C4'-P energy: -144.604
bonds (distance) P-C4' energy: -138.275
flat angles C4'-P-C4' energy: -161.425
flat angles P-C4'-P energy: -105.748
tors. eta vs tors. theta energy: -205.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2354.688979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.688979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.688979 (E_RNA)
where:
Base-Base interactions energy: -1621.568
where: short stacking energy: -693.447
Base-Backbone interact. energy: 1.402
local terms energy: -734.523509
where:
bonds (distance) C4'-P energy: -121.612
bonds (distance) P-C4' energy: -135.199
flat angles C4'-P-C4' energy: -165.497
flat angles P-C4'-P energy: -105.038
tors. eta vs tors. theta energy: -207.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2160.359434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.359434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.359434 (E_RNA)
where:
Base-Base interactions energy: -1499.468
where: short stacking energy: -621.058
Base-Backbone interact. energy: -0.438
local terms energy: -660.453790
where:
bonds (distance) C4'-P energy: -133.604
bonds (distance) P-C4' energy: -123.970
flat angles C4'-P-C4' energy: -135.692
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -176.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1997.015510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.015510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.015510 (E_RNA)
where:
Base-Base interactions energy: -1343.647
where: short stacking energy: -585.744
Base-Backbone interact. energy: 3.157
local terms energy: -656.525674
where:
bonds (distance) C4'-P energy: -127.051
bonds (distance) P-C4' energy: -121.262
flat angles C4'-P-C4' energy: -143.555
flat angles P-C4'-P energy: -91.492
tors. eta vs tors. theta energy: -173.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1792.670020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.670020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.670020 (E_RNA)
where:
Base-Base interactions energy: -1187.857
where: short stacking energy: -507.986
Base-Backbone interact. energy: -3.944
local terms energy: -600.869149
where:
bonds (distance) C4'-P energy: -115.355
bonds (distance) P-C4' energy: -133.722
flat angles C4'-P-C4' energy: -129.282
flat angles P-C4'-P energy: -100.798
tors. eta vs tors. theta energy: -121.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1511.872987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.872987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.872987 (E_RNA)
where:
Base-Base interactions energy: -969.432
where: short stacking energy: -447.377
Base-Backbone interact. energy: 3.753
local terms energy: -546.193981
where:
bonds (distance) C4'-P energy: -122.453
bonds (distance) P-C4' energy: -127.340
flat angles C4'-P-C4' energy: -122.710
flat angles P-C4'-P energy: -77.171
tors. eta vs tors. theta energy: -96.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -945.336044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.336044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.336044 (E_RNA)
where:
Base-Base interactions energy: -504.636
where: short stacking energy: -291.150
Base-Backbone interact. energy: 2.916
local terms energy: -443.615874
where:
bonds (distance) C4'-P energy: -115.052
bonds (distance) P-C4' energy: -104.887
flat angles C4'-P-C4' energy: -117.990
flat angles P-C4'-P energy: -77.483
tors. eta vs tors. theta energy: -28.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -806.738589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.738589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.738589 (E_RNA)
where:
Base-Base interactions energy: -394.545
where: short stacking energy: -228.985
Base-Backbone interact. energy: -3.280
local terms energy: -408.913723
where:
bonds (distance) C4'-P energy: -108.216
bonds (distance) P-C4' energy: -127.171
flat angles C4'-P-C4' energy: -115.447
flat angles P-C4'-P energy: -61.152
tors. eta vs tors. theta energy: 3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2578.461351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.461351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.461351 (E_RNA)
where:
Base-Base interactions energy: -1775.016
where: short stacking energy: -773.158
Base-Backbone interact. energy: -3.366
local terms energy: -800.079054
where:
bonds (distance) C4'-P energy: -143.197
bonds (distance) P-C4' energy: -142.941
flat angles C4'-P-C4' energy: -166.117
flat angles P-C4'-P energy: -115.017
tors. eta vs tors. theta energy: -232.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2500.111562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.111562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.111562 (E_RNA)
where:
Base-Base interactions energy: -1716.278
where: short stacking energy: -763.112
Base-Backbone interact. energy: -4.682
local terms energy: -779.152340
where:
bonds (distance) C4'-P energy: -143.291
bonds (distance) P-C4' energy: -130.562
flat angles C4'-P-C4' energy: -168.005
flat angles P-C4'-P energy: -100.838
tors. eta vs tors. theta energy: -236.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2397.958081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.958081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.958081 (E_RNA)
where:
Base-Base interactions energy: -1645.715
where: short stacking energy: -691.933
Base-Backbone interact. energy: -3.723
local terms energy: -748.519517
where:
bonds (distance) C4'-P energy: -137.353
bonds (distance) P-C4' energy: -130.969
flat angles C4'-P-C4' energy: -160.419
flat angles P-C4'-P energy: -115.184
tors. eta vs tors. theta energy: -204.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2338.505343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.505343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.505343 (E_RNA)
where:
Base-Base interactions energy: -1575.294
where: short stacking energy: -681.898
Base-Backbone interact. energy: -0.042
local terms energy: -763.168804
where:
bonds (distance) C4'-P energy: -151.804
bonds (distance) P-C4' energy: -136.273
flat angles C4'-P-C4' energy: -159.023
flat angles P-C4'-P energy: -105.338
tors. eta vs tors. theta energy: -210.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2158.251882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.251882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.251882 (E_RNA)
where:
Base-Base interactions energy: -1465.128
where: short stacking energy: -593.229
Base-Backbone interact. energy: -3.429
local terms energy: -689.695458
where:
bonds (distance) C4'-P energy: -150.284
bonds (distance) P-C4' energy: -143.024
flat angles C4'-P-C4' energy: -146.297
flat angles P-C4'-P energy: -77.780
tors. eta vs tors. theta energy: -172.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1957.479077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.479077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.479077 (E_RNA)
where:
Base-Base interactions energy: -1312.774
where: short stacking energy: -580.972
Base-Backbone interact. energy: -0.740
local terms energy: -643.965382
where:
bonds (distance) C4'-P energy: -136.690
bonds (distance) P-C4' energy: -131.835
flat angles C4'-P-C4' energy: -137.238
flat angles P-C4'-P energy: -87.979
tors. eta vs tors. theta energy: -150.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1715.474046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.474046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.474046 (E_RNA)
where:
Base-Base interactions energy: -1128.030
where: short stacking energy: -518.952
Base-Backbone interact. energy: -3.815
local terms energy: -583.629601
where:
bonds (distance) C4'-P energy: -122.644
bonds (distance) P-C4' energy: -128.318
flat angles C4'-P-C4' energy: -121.539
flat angles P-C4'-P energy: -91.903
tors. eta vs tors. theta energy: -119.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1488.913601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.913601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.913601 (E_RNA)
where:
Base-Base interactions energy: -933.469
where: short stacking energy: -439.045
Base-Backbone interact. energy: 0.102
local terms energy: -555.546143
where:
bonds (distance) C4'-P energy: -117.227
bonds (distance) P-C4' energy: -134.656
flat angles C4'-P-C4' energy: -121.179
flat angles P-C4'-P energy: -93.476
tors. eta vs tors. theta energy: -89.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -872.205091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.205091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.205091 (E_RNA)
where:
Base-Base interactions energy: -418.777
where: short stacking energy: -233.976
Base-Backbone interact. energy: -1.674
local terms energy: -451.754158
where:
bonds (distance) C4'-P energy: -122.735
bonds (distance) P-C4' energy: -130.901
flat angles C4'-P-C4' energy: -122.009
flat angles P-C4'-P energy: -69.796
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -835.988321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.988321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.988321 (E_RNA)
where:
Base-Base interactions energy: -447.526
where: short stacking energy: -227.902
Base-Backbone interact. energy: -1.847
local terms energy: -386.614869
where:
bonds (distance) C4'-P energy: -85.819
bonds (distance) P-C4' energy: -129.225
flat angles C4'-P-C4' energy: -91.391
flat angles P-C4'-P energy: -71.069
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2620.335913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.335913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.335913 (E_RNA)
where:
Base-Base interactions energy: -1797.964
where: short stacking energy: -770.182
Base-Backbone interact. energy: -3.009
local terms energy: -819.363617
where:
bonds (distance) C4'-P energy: -144.310
bonds (distance) P-C4' energy: -147.218
flat angles C4'-P-C4' energy: -168.238
flat angles P-C4'-P energy: -122.992
tors. eta vs tors. theta energy: -236.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2518.486003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.486003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.486003 (E_RNA)
where:
Base-Base interactions energy: -1706.728
where: short stacking energy: -747.357
Base-Backbone interact. energy: -3.157
local terms energy: -808.600479
where:
bonds (distance) C4'-P energy: -148.651
bonds (distance) P-C4' energy: -161.736
flat angles C4'-P-C4' energy: -166.351
flat angles P-C4'-P energy: -110.288
tors. eta vs tors. theta energy: -221.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2407.469227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.469227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.469227 (E_RNA)
where:
Base-Base interactions energy: -1639.443
where: short stacking energy: -746.569
Base-Backbone interact. energy: -0.591
local terms energy: -767.435057
where:
bonds (distance) C4'-P energy: -139.791
bonds (distance) P-C4' energy: -134.280
flat angles C4'-P-C4' energy: -168.580
flat angles P-C4'-P energy: -115.333
tors. eta vs tors. theta energy: -209.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2324.310005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.310005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.310005 (E_RNA)
where:
Base-Base interactions energy: -1593.865
where: short stacking energy: -692.481
Base-Backbone interact. energy: -3.364
local terms energy: -727.080681
where:
bonds (distance) C4'-P energy: -134.146
bonds (distance) P-C4' energy: -145.231
flat angles C4'-P-C4' energy: -148.363
flat angles P-C4'-P energy: -100.467
tors. eta vs tors. theta energy: -198.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2147.326207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.326207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.326207 (E_RNA)
where:
Base-Base interactions energy: -1491.086
where: short stacking energy: -624.975
Base-Backbone interact. energy: 1.591
local terms energy: -657.831127
where:
bonds (distance) C4'-P energy: -116.161
bonds (distance) P-C4' energy: -142.871
flat angles C4'-P-C4' energy: -143.412
flat angles P-C4'-P energy: -83.078
tors. eta vs tors. theta energy: -172.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1980.430282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.430282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.430282 (E_RNA)
where:
Base-Base interactions energy: -1329.925
where: short stacking energy: -599.341
Base-Backbone interact. energy: 1.865
local terms energy: -652.370306
where:
bonds (distance) C4'-P energy: -124.912
bonds (distance) P-C4' energy: -126.873
flat angles C4'-P-C4' energy: -136.889
flat angles P-C4'-P energy: -105.207
tors. eta vs tors. theta energy: -158.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1733.702006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.702006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.702006 (E_RNA)
where:
Base-Base interactions energy: -1171.872
where: short stacking energy: -523.708
Base-Backbone interact. energy: 1.470
local terms energy: -563.299793
where:
bonds (distance) C4'-P energy: -99.562
bonds (distance) P-C4' energy: -124.053
flat angles C4'-P-C4' energy: -138.060
flat angles P-C4'-P energy: -85.394
tors. eta vs tors. theta energy: -116.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1464.413115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.413115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.413115 (E_RNA)
where:
Base-Base interactions energy: -942.135
where: short stacking energy: -426.548
Base-Backbone interact. energy: -4.115
local terms energy: -518.163665
where:
bonds (distance) C4'-P energy: -114.191
bonds (distance) P-C4' energy: -105.669
flat angles C4'-P-C4' energy: -129.009
flat angles P-C4'-P energy: -69.626
tors. eta vs tors. theta energy: -99.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -883.774694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.774694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.774694 (E_RNA)
where:
Base-Base interactions energy: -453.778
where: short stacking energy: -235.395
Base-Backbone interact. energy: 6.098
local terms energy: -436.094481
where:
bonds (distance) C4'-P energy: -126.340
bonds (distance) P-C4' energy: -115.230
flat angles C4'-P-C4' energy: -123.477
flat angles P-C4'-P energy: -67.959
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -794.288764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.288764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.288764 (E_RNA)
where:
Base-Base interactions energy: -385.980
where: short stacking energy: -221.751
Base-Backbone interact. energy: 3.119
local terms energy: -411.427728
where:
bonds (distance) C4'-P energy: -132.348
bonds (distance) P-C4' energy: -123.050
flat angles C4'-P-C4' energy: -102.399
flat angles P-C4'-P energy: -44.413
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2615.507703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.507703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.507703 (E_RNA)
where:
Base-Base interactions energy: -1805.787
where: short stacking energy: -770.950
Base-Backbone interact. energy: -3.062
local terms energy: -806.658375
where:
bonds (distance) C4'-P energy: -151.526
bonds (distance) P-C4' energy: -142.693
flat angles C4'-P-C4' energy: -165.646
flat angles P-C4'-P energy: -110.208
tors. eta vs tors. theta energy: -236.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2496.431184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.431184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.431184 (E_RNA)
where:
Base-Base interactions energy: -1708.060
where: short stacking energy: -761.299
Base-Backbone interact. energy: -2.918
local terms energy: -785.453714
where:
bonds (distance) C4'-P energy: -151.317
bonds (distance) P-C4' energy: -141.724
flat angles C4'-P-C4' energy: -165.397
flat angles P-C4'-P energy: -103.117
tors. eta vs tors. theta energy: -223.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2389.197008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.197008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.197008 (E_RNA)
where:
Base-Base interactions energy: -1647.032
where: short stacking energy: -716.409
Base-Backbone interact. energy: 0.888
local terms energy: -743.053592
where:
bonds (distance) C4'-P energy: -126.373
bonds (distance) P-C4' energy: -133.819
flat angles C4'-P-C4' energy: -164.945
flat angles P-C4'-P energy: -110.645
tors. eta vs tors. theta energy: -207.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2390.991084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.991084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.991084 (E_RNA)
where:
Base-Base interactions energy: -1646.761
where: short stacking energy: -717.959
Base-Backbone interact. energy: -4.755
local terms energy: -739.475459
where:
bonds (distance) C4'-P energy: -137.816
bonds (distance) P-C4' energy: -138.871
flat angles C4'-P-C4' energy: -158.685
flat angles P-C4'-P energy: -90.596
tors. eta vs tors. theta energy: -213.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2139.102944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.102944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.102944 (E_RNA)
where:
Base-Base interactions energy: -1488.903
where: short stacking energy: -638.493
Base-Backbone interact. energy: -0.667
local terms energy: -649.532719
where:
bonds (distance) C4'-P energy: -114.128
bonds (distance) P-C4' energy: -122.880
flat angles C4'-P-C4' energy: -152.163
flat angles P-C4'-P energy: -77.005
tors. eta vs tors. theta energy: -183.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1941.362095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.362095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.362095 (E_RNA)
where:
Base-Base interactions energy: -1318.716
where: short stacking energy: -571.828
Base-Backbone interact. energy: -4.639
local terms energy: -618.006939
where:
bonds (distance) C4'-P energy: -109.164
bonds (distance) P-C4' energy: -124.518
flat angles C4'-P-C4' energy: -148.721
flat angles P-C4'-P energy: -91.169
tors. eta vs tors. theta energy: -144.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1711.828454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.828454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.828454 (E_RNA)
where:
Base-Base interactions energy: -1105.697
where: short stacking energy: -526.195
Base-Backbone interact. energy: 0.192
local terms energy: -606.324053
where:
bonds (distance) C4'-P energy: -114.199
bonds (distance) P-C4' energy: -134.578
flat angles C4'-P-C4' energy: -138.058
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -137.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1487.853391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.853391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.853391 (E_RNA)
where:
Base-Base interactions energy: -933.761
where: short stacking energy: -442.863
Base-Backbone interact. energy: -2.948
local terms energy: -551.144363
where:
bonds (distance) C4'-P energy: -131.254
bonds (distance) P-C4' energy: -106.193
flat angles C4'-P-C4' energy: -130.374
flat angles P-C4'-P energy: -90.705
tors. eta vs tors. theta energy: -92.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -894.782978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.782978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.782978 (E_RNA)
where:
Base-Base interactions energy: -466.491
where: short stacking energy: -259.885
Base-Backbone interact. energy: -0.291
local terms energy: -428.000771
where:
bonds (distance) C4'-P energy: -124.054
bonds (distance) P-C4' energy: -118.389
flat angles C4'-P-C4' energy: -99.971
flat angles P-C4'-P energy: -69.358
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -811.435248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.435248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.435248 (E_RNA)
where:
Base-Base interactions energy: -414.498
where: short stacking energy: -235.469
Base-Backbone interact. energy: 0.055
local terms energy: -396.991596
where:
bonds (distance) C4'-P energy: -121.344
bonds (distance) P-C4' energy: -110.647
flat angles C4'-P-C4' energy: -96.598
flat angles P-C4'-P energy: -45.753
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2623.528812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.528812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.528812 (E_RNA)
where:
Base-Base interactions energy: -1828.793
where: short stacking energy: -769.994
Base-Backbone interact. energy: -5.812
local terms energy: -788.924048
where:
bonds (distance) C4'-P energy: -138.090
bonds (distance) P-C4' energy: -140.461
flat angles C4'-P-C4' energy: -158.757
flat angles P-C4'-P energy: -118.469
tors. eta vs tors. theta energy: -233.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2477.554329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.554329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.554329 (E_RNA)
where:
Base-Base interactions energy: -1690.857
where: short stacking energy: -753.622
Base-Backbone interact. energy: -4.330
local terms energy: -782.367174
where:
bonds (distance) C4'-P energy: -119.837
bonds (distance) P-C4' energy: -156.660
flat angles C4'-P-C4' energy: -177.709
flat angles P-C4'-P energy: -107.926
tors. eta vs tors. theta energy: -220.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2461.884742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.884742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.884742 (E_RNA)
where:
Base-Base interactions energy: -1657.390
where: short stacking energy: -731.852
Base-Backbone interact. energy: -2.513
local terms energy: -801.982024
where:
bonds (distance) C4'-P energy: -149.327
bonds (distance) P-C4' energy: -142.260
flat angles C4'-P-C4' energy: -160.968
flat angles P-C4'-P energy: -113.890
tors. eta vs tors. theta energy: -235.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2332.656823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.656823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.656823 (E_RNA)
where:
Base-Base interactions energy: -1627.095
where: short stacking energy: -692.544
Base-Backbone interact. energy: -2.619
local terms energy: -702.942498
where:
bonds (distance) C4'-P energy: -116.279
bonds (distance) P-C4' energy: -139.596
flat angles C4'-P-C4' energy: -151.239
flat angles P-C4'-P energy: -92.826
tors. eta vs tors. theta energy: -203.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2128.067143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.067143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.067143 (E_RNA)
where:
Base-Base interactions energy: -1454.995
where: short stacking energy: -641.692
Base-Backbone interact. energy: -1.507
local terms energy: -671.565819
where:
bonds (distance) C4'-P energy: -128.469
bonds (distance) P-C4' energy: -140.375
flat angles C4'-P-C4' energy: -146.208
flat angles P-C4'-P energy: -81.728
tors. eta vs tors. theta energy: -174.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1945.992077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.992077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.992077 (E_RNA)
where:
Base-Base interactions energy: -1331.251
where: short stacking energy: -569.369
Base-Backbone interact. energy: -3.221
local terms energy: -611.520660
where:
bonds (distance) C4'-P energy: -108.735
bonds (distance) P-C4' energy: -128.397
flat angles C4'-P-C4' energy: -141.245
flat angles P-C4'-P energy: -78.074
tors. eta vs tors. theta energy: -155.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1771.256086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.256086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.256086 (E_RNA)
where:
Base-Base interactions energy: -1154.948
where: short stacking energy: -556.272
Base-Backbone interact. energy: -4.437
local terms energy: -611.871115
where:
bonds (distance) C4'-P energy: -144.594
bonds (distance) P-C4' energy: -111.182
flat angles C4'-P-C4' energy: -133.898
flat angles P-C4'-P energy: -77.276
tors. eta vs tors. theta energy: -144.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1488.920343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.920343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.920343 (E_RNA)
where:
Base-Base interactions energy: -977.974
where: short stacking energy: -433.295
Base-Backbone interact. energy: 3.126
local terms energy: -514.071998
where:
bonds (distance) C4'-P energy: -114.135
bonds (distance) P-C4' energy: -110.972
flat angles C4'-P-C4' energy: -130.745
flat angles P-C4'-P energy: -71.041
tors. eta vs tors. theta energy: -87.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -867.365193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.365193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.365193 (E_RNA)
where:
Base-Base interactions energy: -438.713
where: short stacking energy: -266.730
Base-Backbone interact. energy: -0.798
local terms energy: -427.854585
where:
bonds (distance) C4'-P energy: -110.344
bonds (distance) P-C4' energy: -133.051
flat angles C4'-P-C4' energy: -108.761
flat angles P-C4'-P energy: -55.192
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -860.921426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.921426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.921426 (E_RNA)
where:
Base-Base interactions energy: -455.570
where: short stacking energy: -265.252
Base-Backbone interact. energy: 2.852
local terms energy: -408.203260
where:
bonds (distance) C4'-P energy: -103.128
bonds (distance) P-C4' energy: -125.927
flat angles C4'-P-C4' energy: -105.191
flat angles P-C4'-P energy: -74.490
tors. eta vs tors. theta energy: 0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2611.857309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.857309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.857309 (E_RNA)
where:
Base-Base interactions energy: -1799.954
where: short stacking energy: -763.521
Base-Backbone interact. energy: 0.995
local terms energy: -812.898227
where:
bonds (distance) C4'-P energy: -145.965
bonds (distance) P-C4' energy: -136.072
flat angles C4'-P-C4' energy: -171.937
flat angles P-C4'-P energy: -129.832
tors. eta vs tors. theta energy: -229.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2483.101506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.101506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.101506 (E_RNA)
where:
Base-Base interactions energy: -1713.194
where: short stacking energy: -773.141
Base-Backbone interact. energy: -1.808
local terms energy: -768.098731
where:
bonds (distance) C4'-P energy: -133.799
bonds (distance) P-C4' energy: -140.051
flat angles C4'-P-C4' energy: -157.171
flat angles P-C4'-P energy: -111.298
tors. eta vs tors. theta energy: -225.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2444.574429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.574429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.574429 (E_RNA)
where:
Base-Base interactions energy: -1685.229
where: short stacking energy: -715.724
Base-Backbone interact. energy: 0.057
local terms energy: -759.401899
where:
bonds (distance) C4'-P energy: -131.407
bonds (distance) P-C4' energy: -145.057
flat angles C4'-P-C4' energy: -165.245
flat angles P-C4'-P energy: -102.040
tors. eta vs tors. theta energy: -215.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2279.644829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.644829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.644829 (E_RNA)
where:
Base-Base interactions energy: -1592.309
where: short stacking energy: -672.284
Base-Backbone interact. energy: 0.644
local terms energy: -687.980426
where:
bonds (distance) C4'-P energy: -133.673
bonds (distance) P-C4' energy: -142.485
flat angles C4'-P-C4' energy: -143.873
flat angles P-C4'-P energy: -79.963
tors. eta vs tors. theta energy: -187.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2176.728521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.728521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.728521 (E_RNA)
where:
Base-Base interactions energy: -1472.903
where: short stacking energy: -630.965
Base-Backbone interact. energy: -2.663
local terms energy: -701.162273
where:
bonds (distance) C4'-P energy: -127.818
bonds (distance) P-C4' energy: -132.706
flat angles C4'-P-C4' energy: -139.688
flat angles P-C4'-P energy: -103.484
tors. eta vs tors. theta energy: -197.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -2008.949159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.949159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.949159 (E_RNA)
where:
Base-Base interactions energy: -1366.962
where: short stacking energy: -587.753
Base-Backbone interact. energy: -3.878
local terms energy: -638.108705
where:
bonds (distance) C4'-P energy: -134.654
bonds (distance) P-C4' energy: -110.809
flat angles C4'-P-C4' energy: -149.357
flat angles P-C4'-P energy: -86.822
tors. eta vs tors. theta energy: -156.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1714.687520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.687520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.687520 (E_RNA)
where:
Base-Base interactions energy: -1137.082
where: short stacking energy: -521.211
Base-Backbone interact. energy: -2.755
local terms energy: -574.849792
where:
bonds (distance) C4'-P energy: -123.898
bonds (distance) P-C4' energy: -130.984
flat angles C4'-P-C4' energy: -129.223
flat angles P-C4'-P energy: -65.215
tors. eta vs tors. theta energy: -125.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1460.523161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.523161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.523161 (E_RNA)
where:
Base-Base interactions energy: -952.621
where: short stacking energy: -422.451
Base-Backbone interact. energy: -2.923
local terms energy: -504.978520
where:
bonds (distance) C4'-P energy: -108.645
bonds (distance) P-C4' energy: -109.714
flat angles C4'-P-C4' energy: -127.075
flat angles P-C4'-P energy: -78.903
tors. eta vs tors. theta energy: -80.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -887.051705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.051705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.051705 (E_RNA)
where:
Base-Base interactions energy: -459.077
where: short stacking energy: -249.383
Base-Backbone interact. energy: 0.844
local terms energy: -428.818951
where:
bonds (distance) C4'-P energy: -119.598
bonds (distance) P-C4' energy: -118.981
flat angles C4'-P-C4' energy: -102.099
flat angles P-C4'-P energy: -66.975
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -895.272154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.272154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.272154 (E_RNA)
where:
Base-Base interactions energy: -468.338
where: short stacking energy: -259.518
Base-Backbone interact. energy: 4.829
local terms energy: -431.762984
where:
bonds (distance) C4'-P energy: -106.150
bonds (distance) P-C4' energy: -122.959
flat angles C4'-P-C4' energy: -109.630
flat angles P-C4'-P energy: -67.547
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2648.136647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.136647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.136647 (E_RNA)
where:
Base-Base interactions energy: -1832.145
where: short stacking energy: -770.644
Base-Backbone interact. energy: -2.233
local terms energy: -813.758898
where:
bonds (distance) C4'-P energy: -149.081
bonds (distance) P-C4' energy: -148.840
flat angles C4'-P-C4' energy: -170.150
flat angles P-C4'-P energy: -108.076
tors. eta vs tors. theta energy: -237.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2493.088231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.088231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.088231 (E_RNA)
where:
Base-Base interactions energy: -1683.386
where: short stacking energy: -774.002
Base-Backbone interact. energy: 0.237
local terms energy: -809.939717
where:
bonds (distance) C4'-P energy: -143.714
bonds (distance) P-C4' energy: -145.640
flat angles C4'-P-C4' energy: -168.030
flat angles P-C4'-P energy: -114.469
tors. eta vs tors. theta energy: -238.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2452.779489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.779489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.779489 (E_RNA)
where:
Base-Base interactions energy: -1683.299
where: short stacking energy: -751.333
Base-Backbone interact. energy: -1.806
local terms energy: -767.674457
where:
bonds (distance) C4'-P energy: -134.660
bonds (distance) P-C4' energy: -132.831
flat angles C4'-P-C4' energy: -165.598
flat angles P-C4'-P energy: -107.168
tors. eta vs tors. theta energy: -227.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2309.361115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.361115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.361115 (E_RNA)
where:
Base-Base interactions energy: -1619.215
where: short stacking energy: -674.105
Base-Backbone interact. energy: -2.437
local terms energy: -687.709224
where:
bonds (distance) C4'-P energy: -132.953
bonds (distance) P-C4' energy: -122.192
flat angles C4'-P-C4' energy: -151.822
flat angles P-C4'-P energy: -93.294
tors. eta vs tors. theta energy: -187.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2096.503153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.503153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.503153 (E_RNA)
where:
Base-Base interactions energy: -1417.955
where: short stacking energy: -624.364
Base-Backbone interact. energy: -3.402
local terms energy: -675.145784
where:
bonds (distance) C4'-P energy: -120.982
bonds (distance) P-C4' energy: -123.851
flat angles C4'-P-C4' energy: -164.407
flat angles P-C4'-P energy: -112.566
tors. eta vs tors. theta energy: -153.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2133.661742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.661742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.661742 (E_RNA)
where:
Base-Base interactions energy: -1473.882
where: short stacking energy: -621.984
Base-Backbone interact. energy: -3.513
local terms energy: -656.266646
where:
bonds (distance) C4'-P energy: -132.431
bonds (distance) P-C4' energy: -131.759
flat angles C4'-P-C4' energy: -137.386
flat angles P-C4'-P energy: -89.841
tors. eta vs tors. theta energy: -164.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1617.543364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.543364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.543364 (E_RNA)
where:
Base-Base interactions energy: -1038.967
where: short stacking energy: -469.861
Base-Backbone interact. energy: -1.995
local terms energy: -576.582048
where:
bonds (distance) C4'-P energy: -114.559
bonds (distance) P-C4' energy: -129.636
flat angles C4'-P-C4' energy: -132.446
flat angles P-C4'-P energy: -95.184
tors. eta vs tors. theta energy: -104.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1374.393060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.393060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.393060 (E_RNA)
where:
Base-Base interactions energy: -848.704
where: short stacking energy: -401.979
Base-Backbone interact. energy: -2.855
local terms energy: -522.833491
where:
bonds (distance) C4'-P energy: -120.503
bonds (distance) P-C4' energy: -109.308
flat angles C4'-P-C4' energy: -126.456
flat angles P-C4'-P energy: -85.545
tors. eta vs tors. theta energy: -81.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -892.610106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.610106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.610106 (E_RNA)
where:
Base-Base interactions energy: -507.661
where: short stacking energy: -270.103
Base-Backbone interact. energy: 1.423
local terms energy: -386.372395
where:
bonds (distance) C4'-P energy: -117.178
bonds (distance) P-C4' energy: -101.846
flat angles C4'-P-C4' energy: -115.092
flat angles P-C4'-P energy: -49.739
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -816.389273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.389273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.389273 (E_RNA)
where:
Base-Base interactions energy: -446.005
where: short stacking energy: -254.722
Base-Backbone interact. energy: 4.646
local terms energy: -375.029840
where:
bonds (distance) C4'-P energy: -104.117
bonds (distance) P-C4' energy: -102.634
flat angles C4'-P-C4' energy: -106.289
flat angles P-C4'-P energy: -55.902
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2632.554354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.554354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.554354 (E_RNA)
where:
Base-Base interactions energy: -1817.457
where: short stacking energy: -764.553
Base-Backbone interact. energy: -1.199
local terms energy: -813.898987
where:
bonds (distance) C4'-P energy: -134.452
bonds (distance) P-C4' energy: -149.092
flat angles C4'-P-C4' energy: -171.428
flat angles P-C4'-P energy: -121.877
tors. eta vs tors. theta energy: -237.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2472.851506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.851506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.851506 (E_RNA)
where:
Base-Base interactions energy: -1670.961
where: short stacking energy: -749.369
Base-Backbone interact. energy: -2.907
local terms energy: -798.983691
where:
bonds (distance) C4'-P energy: -147.044
bonds (distance) P-C4' energy: -155.519
flat angles C4'-P-C4' energy: -168.018
flat angles P-C4'-P energy: -111.382
tors. eta vs tors. theta energy: -217.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2418.461200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.461200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.461200 (E_RNA)
where:
Base-Base interactions energy: -1688.684
where: short stacking energy: -733.737
Base-Backbone interact. energy: -0.769
local terms energy: -729.008328
where:
bonds (distance) C4'-P energy: -113.471
bonds (distance) P-C4' energy: -125.060
flat angles C4'-P-C4' energy: -165.820
flat angles P-C4'-P energy: -108.670
tors. eta vs tors. theta energy: -215.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2321.929401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.929401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.929401 (E_RNA)
where:
Base-Base interactions energy: -1614.614
where: short stacking energy: -694.218
Base-Backbone interact. energy: 0.250
local terms energy: -707.565858
where:
bonds (distance) C4'-P energy: -137.468
bonds (distance) P-C4' energy: -129.492
flat angles C4'-P-C4' energy: -138.837
flat angles P-C4'-P energy: -103.920
tors. eta vs tors. theta energy: -197.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2091.224872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.224872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.224872 (E_RNA)
where:
Base-Base interactions energy: -1403.643
where: short stacking energy: -606.299
Base-Backbone interact. energy: -2.280
local terms energy: -685.301827
where:
bonds (distance) C4'-P energy: -118.966
bonds (distance) P-C4' energy: -145.244
flat angles C4'-P-C4' energy: -152.218
flat angles P-C4'-P energy: -93.554
tors. eta vs tors. theta energy: -175.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2079.741550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.741550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.741550 (E_RNA)
where:
Base-Base interactions energy: -1432.673
where: short stacking energy: -566.520
Base-Backbone interact. energy: 6.236
local terms energy: -653.304318
where:
bonds (distance) C4'-P energy: -126.709
bonds (distance) P-C4' energy: -138.704
flat angles C4'-P-C4' energy: -133.581
flat angles P-C4'-P energy: -83.272
tors. eta vs tors. theta energy: -171.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1690.974591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.974591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.974591 (E_RNA)
where:
Base-Base interactions energy: -1105.163
where: short stacking energy: -485.447
Base-Backbone interact. energy: 2.874
local terms energy: -588.685540
where:
bonds (distance) C4'-P energy: -130.623
bonds (distance) P-C4' energy: -139.188
flat angles C4'-P-C4' energy: -125.616
flat angles P-C4'-P energy: -88.691
tors. eta vs tors. theta energy: -104.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1449.001221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.001221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.001221 (E_RNA)
where:
Base-Base interactions energy: -891.602
where: short stacking energy: -412.362
Base-Backbone interact. energy: 0.058
local terms energy: -557.457788
where:
bonds (distance) C4'-P energy: -124.284
bonds (distance) P-C4' energy: -134.530
flat angles C4'-P-C4' energy: -119.134
flat angles P-C4'-P energy: -93.297
tors. eta vs tors. theta energy: -86.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -909.820575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.820575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.820575 (E_RNA)
where:
Base-Base interactions energy: -485.984
where: short stacking energy: -273.807
Base-Backbone interact. energy: 2.958
local terms energy: -426.794701
where:
bonds (distance) C4'-P energy: -118.838
bonds (distance) P-C4' energy: -123.855
flat angles C4'-P-C4' energy: -106.521
flat angles P-C4'-P energy: -74.020
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -806.129305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.129305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.129305 (E_RNA)
where:
Base-Base interactions energy: -433.880
where: short stacking energy: -216.006
Base-Backbone interact. energy: 1.726
local terms energy: -373.975247
where:
bonds (distance) C4'-P energy: -126.124
bonds (distance) P-C4' energy: -103.562
flat angles C4'-P-C4' energy: -83.296
flat angles P-C4'-P energy: -72.512
tors. eta vs tors. theta energy: 11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2655.200286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.200286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.200286 (E_RNA)
where:
Base-Base interactions energy: -1836.252
where: short stacking energy: -788.962
Base-Backbone interact. energy: -3.253
local terms energy: -815.695100
where:
bonds (distance) C4'-P energy: -141.033
bonds (distance) P-C4' energy: -154.374
flat angles C4'-P-C4' energy: -170.296
flat angles P-C4'-P energy: -110.476
tors. eta vs tors. theta energy: -239.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2502.318908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.318908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.318908 (E_RNA)
where:
Base-Base interactions energy: -1726.161
where: short stacking energy: -748.063
Base-Backbone interact. energy: -2.413
local terms energy: -773.745237
where:
bonds (distance) C4'-P energy: -121.634
bonds (distance) P-C4' energy: -141.386
flat angles C4'-P-C4' energy: -161.822
flat angles P-C4'-P energy: -112.773
tors. eta vs tors. theta energy: -236.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2426.845359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.845359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.845359 (E_RNA)
where:
Base-Base interactions energy: -1645.940
where: short stacking energy: -732.872
Base-Backbone interact. energy: 0.356
local terms energy: -781.261748
where:
bonds (distance) C4'-P energy: -134.121
bonds (distance) P-C4' energy: -151.765
flat angles C4'-P-C4' energy: -169.191
flat angles P-C4'-P energy: -100.694
tors. eta vs tors. theta energy: -225.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2305.885233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.885233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.885233 (E_RNA)
where:
Base-Base interactions energy: -1586.722
where: short stacking energy: -707.041
Base-Backbone interact. energy: -3.409
local terms energy: -715.753772
where:
bonds (distance) C4'-P energy: -126.251
bonds (distance) P-C4' energy: -120.819
flat angles C4'-P-C4' energy: -157.722
flat angles P-C4'-P energy: -112.496
tors. eta vs tors. theta energy: -198.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2088.608804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.608804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.608804 (E_RNA)
where:
Base-Base interactions energy: -1445.305
where: short stacking energy: -622.825
Base-Backbone interact. energy: -2.663
local terms energy: -640.640610
where:
bonds (distance) C4'-P energy: -116.970
bonds (distance) P-C4' energy: -123.184
flat angles C4'-P-C4' energy: -152.969
flat angles P-C4'-P energy: -80.236
tors. eta vs tors. theta energy: -167.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2020.595591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.595591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.595591 (E_RNA)
where:
Base-Base interactions energy: -1349.342
where: short stacking energy: -579.813
Base-Backbone interact. energy: -1.884
local terms energy: -669.369029
where:
bonds (distance) C4'-P energy: -128.303
bonds (distance) P-C4' energy: -148.853
flat angles C4'-P-C4' energy: -137.928
flat angles P-C4'-P energy: -97.278
tors. eta vs tors. theta energy: -157.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1672.603205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.603205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.603205 (E_RNA)
where:
Base-Base interactions energy: -1080.335
where: short stacking energy: -476.641
Base-Backbone interact. energy: 2.264
local terms energy: -594.532804
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -147.375
flat angles C4'-P-C4' energy: -119.531
flat angles P-C4'-P energy: -86.539
tors. eta vs tors. theta energy: -109.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1387.824466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.824466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.824466 (E_RNA)
where:
Base-Base interactions energy: -875.384
where: short stacking energy: -414.014
Base-Backbone interact. energy: 0.687
local terms energy: -513.126767
where:
bonds (distance) C4'-P energy: -117.885
bonds (distance) P-C4' energy: -125.764
flat angles C4'-P-C4' energy: -119.132
flat angles P-C4'-P energy: -71.844
tors. eta vs tors. theta energy: -78.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -871.730102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.730102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.730102 (E_RNA)
where:
Base-Base interactions energy: -463.080
where: short stacking energy: -233.940
Base-Backbone interact. energy: 0.447
local terms energy: -409.096729
where:
bonds (distance) C4'-P energy: -106.495
bonds (distance) P-C4' energy: -138.899
flat angles C4'-P-C4' energy: -99.024
flat angles P-C4'-P energy: -62.961
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -836.867883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.867883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.867883 (E_RNA)
where:
Base-Base interactions energy: -457.687
where: short stacking energy: -236.358
Base-Backbone interact. energy: 9.189
local terms energy: -388.370346
where:
bonds (distance) C4'-P energy: -94.539
bonds (distance) P-C4' energy: -126.921
flat angles C4'-P-C4' energy: -100.085
flat angles P-C4'-P energy: -58.949
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2591.933852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.933852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.933852 (E_RNA)
where:
Base-Base interactions energy: -1768.648
where: short stacking energy: -757.944
Base-Backbone interact. energy: -4.333
local terms energy: -818.953209
where:
bonds (distance) C4'-P energy: -158.962
bonds (distance) P-C4' energy: -144.794
flat angles C4'-P-C4' energy: -166.659
flat angles P-C4'-P energy: -119.280
tors. eta vs tors. theta energy: -229.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2460.256288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.256288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.256288 (E_RNA)
where:
Base-Base interactions energy: -1709.547
where: short stacking energy: -757.880
Base-Backbone interact. energy: -1.225
local terms energy: -749.484646
where:
bonds (distance) C4'-P energy: -135.590
bonds (distance) P-C4' energy: -127.953
flat angles C4'-P-C4' energy: -163.442
flat angles P-C4'-P energy: -95.145
tors. eta vs tors. theta energy: -227.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2440.673926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.673926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.673926 (E_RNA)
where:
Base-Base interactions energy: -1662.974
where: short stacking energy: -752.171
Base-Backbone interact. energy: -3.291
local terms energy: -774.408918
where:
bonds (distance) C4'-P energy: -135.806
bonds (distance) P-C4' energy: -125.276
flat angles C4'-P-C4' energy: -170.348
flat angles P-C4'-P energy: -112.557
tors. eta vs tors. theta energy: -230.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2335.537108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.537108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.537108 (E_RNA)
where:
Base-Base interactions energy: -1609.553
where: short stacking energy: -700.682
Base-Backbone interact. energy: -1.547
local terms energy: -724.437369
where:
bonds (distance) C4'-P energy: -139.684
bonds (distance) P-C4' energy: -127.613
flat angles C4'-P-C4' energy: -157.038
flat angles P-C4'-P energy: -102.153
tors. eta vs tors. theta energy: -197.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2171.756517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.756517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.756517 (E_RNA)
where:
Base-Base interactions energy: -1477.760
where: short stacking energy: -643.050
Base-Backbone interact. energy: -1.999
local terms energy: -691.997901
where:
bonds (distance) C4'-P energy: -128.927
bonds (distance) P-C4' energy: -142.302
flat angles C4'-P-C4' energy: -162.650
flat angles P-C4'-P energy: -79.277
tors. eta vs tors. theta energy: -178.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2028.421558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.421558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.421558 (E_RNA)
where:
Base-Base interactions energy: -1355.180
where: short stacking energy: -579.968
Base-Backbone interact. energy: 0.146
local terms energy: -673.387930
where:
bonds (distance) C4'-P energy: -129.799
bonds (distance) P-C4' energy: -138.010
flat angles C4'-P-C4' energy: -139.812
flat angles P-C4'-P energy: -99.483
tors. eta vs tors. theta energy: -166.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1647.533949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.533949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.533949 (E_RNA)
where:
Base-Base interactions energy: -1034.811
where: short stacking energy: -472.525
Base-Backbone interact. energy: -2.843
local terms energy: -609.879949
where:
bonds (distance) C4'-P energy: -137.576
bonds (distance) P-C4' energy: -132.053
flat angles C4'-P-C4' energy: -135.433
flat angles P-C4'-P energy: -110.923
tors. eta vs tors. theta energy: -93.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1506.311546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.311546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.311546 (E_RNA)
where:
Base-Base interactions energy: -1013.408
where: short stacking energy: -470.720
Base-Backbone interact. energy: -0.655
local terms energy: -492.248739
where:
bonds (distance) C4'-P energy: -93.254
bonds (distance) P-C4' energy: -103.527
flat angles C4'-P-C4' energy: -126.595
flat angles P-C4'-P energy: -65.618
tors. eta vs tors. theta energy: -103.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -857.938323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.938323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.938323 (E_RNA)
where:
Base-Base interactions energy: -470.039
where: short stacking energy: -271.822
Base-Backbone interact. energy: 2.672
local terms energy: -390.571218
where:
bonds (distance) C4'-P energy: -94.767
bonds (distance) P-C4' energy: -111.579
flat angles C4'-P-C4' energy: -102.052
flat angles P-C4'-P energy: -56.733
tors. eta vs tors. theta energy: -25.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -825.738965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.738965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.738965 (E_RNA)
where:
Base-Base interactions energy: -455.596
where: short stacking energy: -255.440
Base-Backbone interact. energy: 3.229
local terms energy: -373.371514
where:
bonds (distance) C4'-P energy: -102.414
bonds (distance) P-C4' energy: -120.586
flat angles C4'-P-C4' energy: -97.704
flat angles P-C4'-P energy: -58.587
tors. eta vs tors. theta energy: 5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2600.052107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.052107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.052107 (E_RNA)
where:
Base-Base interactions energy: -1783.292
where: short stacking energy: -699.955
Base-Backbone interact. energy: -0.342
local terms energy: -816.417328
where:
bonds (distance) C4'-P energy: -158.050
bonds (distance) P-C4' energy: -146.594
flat angles C4'-P-C4' energy: -167.716
flat angles P-C4'-P energy: -114.272
tors. eta vs tors. theta energy: -229.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2459.578937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.578937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.578937 (E_RNA)
where:
Base-Base interactions energy: -1682.967
where: short stacking energy: -738.316
Base-Backbone interact. energy: 0.882
local terms energy: -777.493591
where:
bonds (distance) C4'-P energy: -140.945
bonds (distance) P-C4' energy: -133.567
flat angles C4'-P-C4' energy: -157.003
flat angles P-C4'-P energy: -119.725
tors. eta vs tors. theta energy: -226.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2447.956217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.956217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.956217 (E_RNA)
where:
Base-Base interactions energy: -1676.568
where: short stacking energy: -748.642
Base-Backbone interact. energy: -0.740
local terms energy: -770.647645
where:
bonds (distance) C4'-P energy: -143.308
bonds (distance) P-C4' energy: -137.485
flat angles C4'-P-C4' energy: -159.497
flat angles P-C4'-P energy: -112.533
tors. eta vs tors. theta energy: -217.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2337.452830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.452830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.452830 (E_RNA)
where:
Base-Base interactions energy: -1624.652
where: short stacking energy: -685.336
Base-Backbone interact. energy: -0.597
local terms energy: -712.203669
where:
bonds (distance) C4'-P energy: -152.370
bonds (distance) P-C4' energy: -118.365
flat angles C4'-P-C4' energy: -148.616
flat angles P-C4'-P energy: -90.197
tors. eta vs tors. theta energy: -202.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2162.829971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.829971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.829971 (E_RNA)
where:
Base-Base interactions energy: -1495.247
where: short stacking energy: -632.323
Base-Backbone interact. energy: -3.012
local terms energy: -664.571164
where:
bonds (distance) C4'-P energy: -125.180
bonds (distance) P-C4' energy: -131.961
flat angles C4'-P-C4' energy: -141.169
flat angles P-C4'-P energy: -107.090
tors. eta vs tors. theta energy: -159.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2022.034518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.034518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.034518 (E_RNA)
where:
Base-Base interactions energy: -1387.400
where: short stacking energy: -581.598
Base-Backbone interact. energy: 0.257
local terms energy: -634.891558
where:
bonds (distance) C4'-P energy: -109.800
bonds (distance) P-C4' energy: -134.387
flat angles C4'-P-C4' energy: -132.814
flat angles P-C4'-P energy: -95.844
tors. eta vs tors. theta energy: -162.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1651.478899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.478899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.478899 (E_RNA)
where:
Base-Base interactions energy: -1058.353
where: short stacking energy: -483.856
Base-Backbone interact. energy: 2.215
local terms energy: -595.340552
where:
bonds (distance) C4'-P energy: -102.755
bonds (distance) P-C4' energy: -142.500
flat angles C4'-P-C4' energy: -130.596
flat angles P-C4'-P energy: -99.727
tors. eta vs tors. theta energy: -119.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1471.643700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.643700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.643700 (E_RNA)
where:
Base-Base interactions energy: -944.801
where: short stacking energy: -444.222
Base-Backbone interact. energy: 1.945
local terms energy: -528.787248
where:
bonds (distance) C4'-P energy: -110.244
bonds (distance) P-C4' energy: -122.483
flat angles C4'-P-C4' energy: -139.337
flat angles P-C4'-P energy: -67.874
tors. eta vs tors. theta energy: -88.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -904.918160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.918160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.918160 (E_RNA)
where:
Base-Base interactions energy: -481.989
where: short stacking energy: -253.370
Base-Backbone interact. energy: 1.202
local terms energy: -424.130885
where:
bonds (distance) C4'-P energy: -114.582
bonds (distance) P-C4' energy: -128.033
flat angles C4'-P-C4' energy: -109.798
flat angles P-C4'-P energy: -49.830
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -803.887113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.887113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.887113 (E_RNA)
where:
Base-Base interactions energy: -420.954
where: short stacking energy: -248.959
Base-Backbone interact. energy: 0.463
local terms energy: -383.396716
where:
bonds (distance) C4'-P energy: -127.620
bonds (distance) P-C4' energy: -116.610
flat angles C4'-P-C4' energy: -95.439
flat angles P-C4'-P energy: -33.970
tors. eta vs tors. theta energy: -9.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2635.465779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.465779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.465779 (E_RNA)
where:
Base-Base interactions energy: -1821.063
where: short stacking energy: -767.943
Base-Backbone interact. energy: -8.114
local terms energy: -806.288138
where:
bonds (distance) C4'-P energy: -145.845
bonds (distance) P-C4' energy: -148.538
flat angles C4'-P-C4' energy: -173.541
flat angles P-C4'-P energy: -104.981
tors. eta vs tors. theta energy: -233.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2478.049990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.049990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.049990 (E_RNA)
where:
Base-Base interactions energy: -1702.090
where: short stacking energy: -752.338
Base-Backbone interact. energy: -4.552
local terms energy: -771.408536
where:
bonds (distance) C4'-P energy: -116.632
bonds (distance) P-C4' energy: -148.479
flat angles C4'-P-C4' energy: -162.277
flat angles P-C4'-P energy: -115.003
tors. eta vs tors. theta energy: -229.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2404.078982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.078982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.078982 (E_RNA)
where:
Base-Base interactions energy: -1640.838
where: short stacking energy: -696.464
Base-Backbone interact. energy: -2.948
local terms energy: -760.292083
where:
bonds (distance) C4'-P energy: -132.713
bonds (distance) P-C4' energy: -151.401
flat angles C4'-P-C4' energy: -157.513
flat angles P-C4'-P energy: -98.515
tors. eta vs tors. theta energy: -220.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2344.333973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.333973 (E_RNA)
where:
Base-Base interactions energy: -1636.543
where: short stacking energy: -692.732
Base-Backbone interact. energy: -4.642
local terms energy: -703.149574
where:
bonds (distance) C4'-P energy: -116.160
bonds (distance) P-C4' energy: -130.725
flat angles C4'-P-C4' energy: -151.481
flat angles P-C4'-P energy: -98.617
tors. eta vs tors. theta energy: -206.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2163.659102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.659102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.659102 (E_RNA)
where:
Base-Base interactions energy: -1477.000
where: short stacking energy: -600.385
Base-Backbone interact. energy: 0.835
local terms energy: -687.494256
where:
bonds (distance) C4'-P energy: -137.561
bonds (distance) P-C4' energy: -133.595
flat angles C4'-P-C4' energy: -155.353
flat angles P-C4'-P energy: -98.089
tors. eta vs tors. theta energy: -162.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2052.220840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.220840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.220840 (E_RNA)
where:
Base-Base interactions energy: -1433.995
where: short stacking energy: -591.932
Base-Backbone interact. energy: 0.844
local terms energy: -619.069218
where:
bonds (distance) C4'-P energy: -123.482
bonds (distance) P-C4' energy: -122.060
flat angles C4'-P-C4' energy: -140.545
flat angles P-C4'-P energy: -85.402
tors. eta vs tors. theta energy: -147.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1709.513808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.513808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.513808 (E_RNA)
where:
Base-Base interactions energy: -1110.384
where: short stacking energy: -492.103
Base-Backbone interact. energy: -1.315
local terms energy: -597.815631
where:
bonds (distance) C4'-P energy: -131.951
bonds (distance) P-C4' energy: -116.344
flat angles C4'-P-C4' energy: -127.533
flat angles P-C4'-P energy: -104.808
tors. eta vs tors. theta energy: -117.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1494.493992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.493992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.493992 (E_RNA)
where:
Base-Base interactions energy: -953.723
where: short stacking energy: -463.009
Base-Backbone interact. energy: 7.746
local terms energy: -548.517533
where:
bonds (distance) C4'-P energy: -123.229
bonds (distance) P-C4' energy: -117.829
flat angles C4'-P-C4' energy: -128.322
flat angles P-C4'-P energy: -77.016
tors. eta vs tors. theta energy: -102.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -955.026639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.026639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.026639 (E_RNA)
where:
Base-Base interactions energy: -507.871
where: short stacking energy: -261.393
Base-Backbone interact. energy: 1.056
local terms energy: -448.212340
where:
bonds (distance) C4'-P energy: -101.541
bonds (distance) P-C4' energy: -143.709
flat angles C4'-P-C4' energy: -102.933
flat angles P-C4'-P energy: -58.398
tors. eta vs tors. theta energy: -41.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -733.328331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.328331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.328331 (E_RNA)
where:
Base-Base interactions energy: -391.524
where: short stacking energy: -257.083
Base-Backbone interact. energy: 1.205
local terms energy: -343.009263
where:
bonds (distance) C4'-P energy: -95.864
bonds (distance) P-C4' energy: -116.919
flat angles C4'-P-C4' energy: -77.769
flat angles P-C4'-P energy: -49.647
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2632.645030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.645030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.645030 (E_RNA)
where:
Base-Base interactions energy: -1803.365
where: short stacking energy: -777.121
Base-Backbone interact. energy: -3.527
local terms energy: -825.753601
where:
bonds (distance) C4'-P energy: -152.645
bonds (distance) P-C4' energy: -161.467
flat angles C4'-P-C4' energy: -172.421
flat angles P-C4'-P energy: -113.439
tors. eta vs tors. theta energy: -225.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2463.808328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.808328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.808328 (E_RNA)
where:
Base-Base interactions energy: -1668.374
where: short stacking energy: -737.782
Base-Backbone interact. energy: -1.499
local terms energy: -793.934743
where:
bonds (distance) C4'-P energy: -146.339
bonds (distance) P-C4' energy: -137.877
flat angles C4'-P-C4' energy: -175.849
flat angles P-C4'-P energy: -110.144
tors. eta vs tors. theta energy: -223.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2420.396377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.396377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.396377 (E_RNA)
where:
Base-Base interactions energy: -1660.004
where: short stacking energy: -735.547
Base-Backbone interact. energy: -0.450
local terms energy: -759.942834
where:
bonds (distance) C4'-P energy: -133.849
bonds (distance) P-C4' energy: -127.026
flat angles C4'-P-C4' energy: -169.671
flat angles P-C4'-P energy: -114.718
tors. eta vs tors. theta energy: -214.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2359.847986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.847986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.847986 (E_RNA)
where:
Base-Base interactions energy: -1632.244
where: short stacking energy: -709.555
Base-Backbone interact. energy: 1.737
local terms energy: -729.340877
where:
bonds (distance) C4'-P energy: -147.533
bonds (distance) P-C4' energy: -133.497
flat angles C4'-P-C4' energy: -153.472
flat angles P-C4'-P energy: -84.116
tors. eta vs tors. theta energy: -210.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2170.385932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.385932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.385932 (E_RNA)
where:
Base-Base interactions energy: -1484.748
where: short stacking energy: -627.792
Base-Backbone interact. energy: -1.675
local terms energy: -683.962479
where:
bonds (distance) C4'-P energy: -116.609
bonds (distance) P-C4' energy: -133.173
flat angles C4'-P-C4' energy: -145.160
flat angles P-C4'-P energy: -98.483
tors. eta vs tors. theta energy: -190.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1995.757801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.757801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.757801 (E_RNA)
where:
Base-Base interactions energy: -1332.528
where: short stacking energy: -548.150
Base-Backbone interact. energy: 3.155
local terms energy: -666.384952
where:
bonds (distance) C4'-P energy: -130.893
bonds (distance) P-C4' energy: -133.686
flat angles C4'-P-C4' energy: -152.723
flat angles P-C4'-P energy: -97.001
tors. eta vs tors. theta energy: -152.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1760.297883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.297883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.297883 (E_RNA)
where:
Base-Base interactions energy: -1163.449
where: short stacking energy: -516.653
Base-Backbone interact. energy: -1.029
local terms energy: -595.819965
where:
bonds (distance) C4'-P energy: -110.848
bonds (distance) P-C4' energy: -125.656
flat angles C4'-P-C4' energy: -139.207
flat angles P-C4'-P energy: -88.516
tors. eta vs tors. theta energy: -131.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1581.474134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.474134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.474134 (E_RNA)
where:
Base-Base interactions energy: -1039.521
where: short stacking energy: -482.410
Base-Backbone interact. energy: 4.830
local terms energy: -546.783006
where:
bonds (distance) C4'-P energy: -115.465
bonds (distance) P-C4' energy: -122.994
flat angles C4'-P-C4' energy: -134.967
flat angles P-C4'-P energy: -64.630
tors. eta vs tors. theta energy: -108.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -979.091967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.091967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.091967 (E_RNA)
where:
Base-Base interactions energy: -523.902
where: short stacking energy: -273.566
Base-Backbone interact. energy: 1.739
local terms energy: -456.928580
where:
bonds (distance) C4'-P energy: -132.527
bonds (distance) P-C4' energy: -133.264
flat angles C4'-P-C4' energy: -106.344
flat angles P-C4'-P energy: -64.215
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -726.962306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.962306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.962306 (E_RNA)
where:
Base-Base interactions energy: -363.733
where: short stacking energy: -215.561
Base-Backbone interact. energy: 10.511
local terms energy: -373.740119
where:
bonds (distance) C4'-P energy: -113.498
bonds (distance) P-C4' energy: -120.554
flat angles C4'-P-C4' energy: -97.751
flat angles P-C4'-P energy: -50.943
tors. eta vs tors. theta energy: 9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2600.454506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.454506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.454506 (E_RNA)
where:
Base-Base interactions energy: -1783.190
where: short stacking energy: -738.075
Base-Backbone interact. energy: -5.341
local terms energy: -811.923921
where:
bonds (distance) C4'-P energy: -150.622
bonds (distance) P-C4' energy: -152.437
flat angles C4'-P-C4' energy: -162.066
flat angles P-C4'-P energy: -116.153
tors. eta vs tors. theta energy: -230.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2489.792622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.792622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.792622 (E_RNA)
where:
Base-Base interactions energy: -1695.420
where: short stacking energy: -754.710
Base-Backbone interact. energy: -0.759
local terms energy: -793.613335
where:
bonds (distance) C4'-P energy: -124.712
bonds (distance) P-C4' energy: -145.591
flat angles C4'-P-C4' energy: -172.571
flat angles P-C4'-P energy: -119.954
tors. eta vs tors. theta energy: -230.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2390.347038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.347038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.347038 (E_RNA)
where:
Base-Base interactions energy: -1600.842
where: short stacking energy: -687.485
Base-Backbone interact. energy: -2.681
local terms energy: -786.824479
where:
bonds (distance) C4'-P energy: -134.125
bonds (distance) P-C4' energy: -152.385
flat angles C4'-P-C4' energy: -161.987
flat angles P-C4'-P energy: -119.086
tors. eta vs tors. theta energy: -219.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2334.724748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.724748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.724748 (E_RNA)
where:
Base-Base interactions energy: -1634.179
where: short stacking energy: -738.730
Base-Backbone interact. energy: 0.480
local terms energy: -701.025859
where:
bonds (distance) C4'-P energy: -120.119
bonds (distance) P-C4' energy: -123.841
flat angles C4'-P-C4' energy: -150.444
flat angles P-C4'-P energy: -96.657
tors. eta vs tors. theta energy: -209.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2163.771074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.771074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.771074 (E_RNA)
where:
Base-Base interactions energy: -1496.154
where: short stacking energy: -629.614
Base-Backbone interact. energy: 1.399
local terms energy: -669.016813
where:
bonds (distance) C4'-P energy: -120.665
bonds (distance) P-C4' energy: -134.570
flat angles C4'-P-C4' energy: -152.210
flat angles P-C4'-P energy: -92.260
tors. eta vs tors. theta energy: -169.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1999.110196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.110196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.110196 (E_RNA)
where:
Base-Base interactions energy: -1352.267
where: short stacking energy: -583.945
Base-Backbone interact. energy: -4.971
local terms energy: -641.872662
where:
bonds (distance) C4'-P energy: -121.118
bonds (distance) P-C4' energy: -130.209
flat angles C4'-P-C4' energy: -140.109
flat angles P-C4'-P energy: -80.502
tors. eta vs tors. theta energy: -169.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1808.091841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.091841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.091841 (E_RNA)
where:
Base-Base interactions energy: -1188.552
where: short stacking energy: -542.135
Base-Backbone interact. energy: 0.264
local terms energy: -619.803961
where:
bonds (distance) C4'-P energy: -131.536
bonds (distance) P-C4' energy: -118.155
flat angles C4'-P-C4' energy: -140.275
flat angles P-C4'-P energy: -90.269
tors. eta vs tors. theta energy: -139.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1563.385918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.385918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.385918 (E_RNA)
where:
Base-Base interactions energy: -1026.122
where: short stacking energy: -459.322
Base-Backbone interact. energy: -1.629
local terms energy: -535.634638
where:
bonds (distance) C4'-P energy: -131.331
bonds (distance) P-C4' energy: -115.396
flat angles C4'-P-C4' energy: -128.060
flat angles P-C4'-P energy: -64.368
tors. eta vs tors. theta energy: -96.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -944.899397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.899397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.899397 (E_RNA)
where:
Base-Base interactions energy: -512.913
where: short stacking energy: -268.832
Base-Backbone interact. energy: 2.729
local terms energy: -434.715233
where:
bonds (distance) C4'-P energy: -110.308
bonds (distance) P-C4' energy: -115.465
flat angles C4'-P-C4' energy: -113.283
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -787.167523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.167523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.167523 (E_RNA)
where:
Base-Base interactions energy: -411.949
where: short stacking energy: -221.146
Base-Backbone interact. energy: 0.310
local terms energy: -375.528336
where:
bonds (distance) C4'-P energy: -93.596
bonds (distance) P-C4' energy: -121.842
flat angles C4'-P-C4' energy: -89.604
flat angles P-C4'-P energy: -55.628
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2618.498530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.498530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.498530 (E_RNA)
where:
Base-Base interactions energy: -1820.884
where: short stacking energy: -755.585
Base-Backbone interact. energy: -1.812
local terms energy: -795.801920
where:
bonds (distance) C4'-P energy: -134.589
bonds (distance) P-C4' energy: -150.462
flat angles C4'-P-C4' energy: -160.170
flat angles P-C4'-P energy: -113.175
tors. eta vs tors. theta energy: -237.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2506.295466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.295466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.295466 (E_RNA)
where:
Base-Base interactions energy: -1708.989
where: short stacking energy: -761.760
Base-Backbone interact. energy: -3.561
local terms energy: -793.746143
where:
bonds (distance) C4'-P energy: -151.250
bonds (distance) P-C4' energy: -148.821
flat angles C4'-P-C4' energy: -154.535
flat angles P-C4'-P energy: -102.906
tors. eta vs tors. theta energy: -236.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2408.453247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.453247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.453247 (E_RNA)
where:
Base-Base interactions energy: -1671.762
where: short stacking energy: -699.221
Base-Backbone interact. energy: -2.099
local terms energy: -734.592359
where:
bonds (distance) C4'-P energy: -123.388
bonds (distance) P-C4' energy: -139.158
flat angles C4'-P-C4' energy: -147.735
flat angles P-C4'-P energy: -112.263
tors. eta vs tors. theta energy: -212.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2356.330420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.330420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.330420 (E_RNA)
where:
Base-Base interactions energy: -1609.503
where: short stacking energy: -711.929
Base-Backbone interact. energy: 0.784
local terms energy: -747.611492
where:
bonds (distance) C4'-P energy: -146.340
bonds (distance) P-C4' energy: -129.613
flat angles C4'-P-C4' energy: -147.583
flat angles P-C4'-P energy: -118.771
tors. eta vs tors. theta energy: -205.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2102.646386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.646386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.646386 (E_RNA)
where:
Base-Base interactions energy: -1430.329
where: short stacking energy: -618.858
Base-Backbone interact. energy: 2.722
local terms energy: -675.039446
where:
bonds (distance) C4'-P energy: -117.337
bonds (distance) P-C4' energy: -138.555
flat angles C4'-P-C4' energy: -142.855
flat angles P-C4'-P energy: -100.506
tors. eta vs tors. theta energy: -175.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -2034.700089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.700089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.700089 (E_RNA)
where:
Base-Base interactions energy: -1399.878
where: short stacking energy: -593.097
Base-Backbone interact. energy: -0.786
local terms energy: -634.036068
where:
bonds (distance) C4'-P energy: -109.867
bonds (distance) P-C4' energy: -127.720
flat angles C4'-P-C4' energy: -141.905
flat angles P-C4'-P energy: -96.040
tors. eta vs tors. theta energy: -158.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1771.754640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.754640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.754640 (E_RNA)
where:
Base-Base interactions energy: -1183.197
where: short stacking energy: -520.503
Base-Backbone interact. energy: 2.069
local terms energy: -590.627167
where:
bonds (distance) C4'-P energy: -122.639
bonds (distance) P-C4' energy: -126.778
flat angles C4'-P-C4' energy: -124.930
flat angles P-C4'-P energy: -89.398
tors. eta vs tors. theta energy: -126.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1540.030462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.030462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.030462 (E_RNA)
where:
Base-Base interactions energy: -1023.093
where: short stacking energy: -438.480
Base-Backbone interact. energy: -1.421
local terms energy: -515.516929
where:
bonds (distance) C4'-P energy: -112.224
bonds (distance) P-C4' energy: -101.023
flat angles C4'-P-C4' energy: -130.707
flat angles P-C4'-P energy: -76.339
tors. eta vs tors. theta energy: -95.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -936.567650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.567650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.567650 (E_RNA)
where:
Base-Base interactions energy: -467.354
where: short stacking energy: -257.783
Base-Backbone interact. energy: 0.391
local terms energy: -469.605385
where:
bonds (distance) C4'-P energy: -130.490
bonds (distance) P-C4' energy: -117.659
flat angles C4'-P-C4' energy: -113.923
flat angles P-C4'-P energy: -70.253
tors. eta vs tors. theta energy: -37.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -822.516178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.516178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.516178 (E_RNA)
where:
Base-Base interactions energy: -392.346
where: short stacking energy: -245.312
Base-Backbone interact. energy: 0.179
local terms energy: -430.349645
where:
bonds (distance) C4'-P energy: -133.006
bonds (distance) P-C4' energy: -130.299
flat angles C4'-P-C4' energy: -96.839
flat angles P-C4'-P energy: -53.440
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2664.484448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.484448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.484448 (E_RNA)
where:
Base-Base interactions energy: -1839.700
where: short stacking energy: -784.217
Base-Backbone interact. energy: 1.172
local terms energy: -825.956850
where:
bonds (distance) C4'-P energy: -133.523
bonds (distance) P-C4' energy: -149.451
flat angles C4'-P-C4' energy: -187.032
flat angles P-C4'-P energy: -116.695
tors. eta vs tors. theta energy: -239.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2497.583436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.583436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.583436 (E_RNA)
where:
Base-Base interactions energy: -1711.600
where: short stacking energy: -767.231
Base-Backbone interact. energy: 0.151
local terms energy: -786.135206
where:
bonds (distance) C4'-P energy: -141.952
bonds (distance) P-C4' energy: -154.732
flat angles C4'-P-C4' energy: -154.530
flat angles P-C4'-P energy: -103.362
tors. eta vs tors. theta energy: -231.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2438.734933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.734933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.734933 (E_RNA)
where:
Base-Base interactions energy: -1676.520
where: short stacking energy: -763.110
Base-Backbone interact. energy: 1.923
local terms energy: -764.137301
where:
bonds (distance) C4'-P energy: -141.065
bonds (distance) P-C4' energy: -139.127
flat angles C4'-P-C4' energy: -157.245
flat angles P-C4'-P energy: -103.379
tors. eta vs tors. theta energy: -223.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2331.938953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.938953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.938953 (E_RNA)
where:
Base-Base interactions energy: -1595.014
where: short stacking energy: -693.603
Base-Backbone interact. energy: -0.765
local terms energy: -736.160266
where:
bonds (distance) C4'-P energy: -136.889
bonds (distance) P-C4' energy: -140.749
flat angles C4'-P-C4' energy: -154.403
flat angles P-C4'-P energy: -97.794
tors. eta vs tors. theta energy: -206.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2156.117915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.117915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.117915 (E_RNA)
where:
Base-Base interactions energy: -1482.472
where: short stacking energy: -626.255
Base-Backbone interact. energy: -3.701
local terms energy: -669.944800
where:
bonds (distance) C4'-P energy: -116.800
bonds (distance) P-C4' energy: -138.465
flat angles C4'-P-C4' energy: -143.837
flat angles P-C4'-P energy: -96.015
tors. eta vs tors. theta energy: -174.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2022.990090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.990090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.990090 (E_RNA)
where:
Base-Base interactions energy: -1382.852
where: short stacking energy: -616.549
Base-Backbone interact. energy: -0.181
local terms energy: -639.956535
where:
bonds (distance) C4'-P energy: -124.381
bonds (distance) P-C4' energy: -117.135
flat angles C4'-P-C4' energy: -139.909
flat angles P-C4'-P energy: -98.389
tors. eta vs tors. theta energy: -160.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1727.928564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.928564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.928564 (E_RNA)
where:
Base-Base interactions energy: -1145.068
where: short stacking energy: -532.486
Base-Backbone interact. energy: 2.590
local terms energy: -585.450321
where:
bonds (distance) C4'-P energy: -136.832
bonds (distance) P-C4' energy: -118.809
flat angles C4'-P-C4' energy: -135.139
flat angles P-C4'-P energy: -80.277
tors. eta vs tors. theta energy: -114.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1594.412548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.412548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.412548 (E_RNA)
where:
Base-Base interactions energy: -1030.094
where: short stacking energy: -449.863
Base-Backbone interact. energy: 0.793
local terms energy: -565.111157
where:
bonds (distance) C4'-P energy: -114.326
bonds (distance) P-C4' energy: -138.940
flat angles C4'-P-C4' energy: -136.428
flat angles P-C4'-P energy: -85.625
tors. eta vs tors. theta energy: -89.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -878.734342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.734342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.734342 (E_RNA)
where:
Base-Base interactions energy: -448.029
where: short stacking energy: -248.604
Base-Backbone interact. energy: -0.557
local terms energy: -430.148251
where:
bonds (distance) C4'-P energy: -112.640
bonds (distance) P-C4' energy: -122.816
flat angles C4'-P-C4' energy: -117.606
flat angles P-C4'-P energy: -65.031
tors. eta vs tors. theta energy: -12.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -835.712285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.712285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.712285 (E_RNA)
where:
Base-Base interactions energy: -426.408
where: short stacking energy: -264.973
Base-Backbone interact. energy: 0.621
local terms energy: -409.925919
where:
bonds (distance) C4'-P energy: -112.432
bonds (distance) P-C4' energy: -100.032
flat angles C4'-P-C4' energy: -137.874
flat angles P-C4'-P energy: -48.623
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2653.812607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.812607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.812607 (E_RNA)
where:
Base-Base interactions energy: -1818.842
where: short stacking energy: -784.936
Base-Backbone interact. energy: -2.328
local terms energy: -832.642609
where:
bonds (distance) C4'-P energy: -158.207
bonds (distance) P-C4' energy: -149.415
flat angles C4'-P-C4' energy: -166.744
flat angles P-C4'-P energy: -120.345
tors. eta vs tors. theta energy: -237.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2517.802098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.802098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.802098 (E_RNA)
where:
Base-Base interactions energy: -1747.020
where: short stacking energy: -775.245
Base-Backbone interact. energy: -2.665
local terms energy: -768.116628
where:
bonds (distance) C4'-P energy: -125.809
bonds (distance) P-C4' energy: -121.768
flat angles C4'-P-C4' energy: -168.781
flat angles P-C4'-P energy: -116.291
tors. eta vs tors. theta energy: -235.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2410.813221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.813221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.813221 (E_RNA)
where:
Base-Base interactions energy: -1661.176
where: short stacking energy: -710.256
Base-Backbone interact. energy: -0.065
local terms energy: -749.572428
where:
bonds (distance) C4'-P energy: -146.019
bonds (distance) P-C4' energy: -144.649
flat angles C4'-P-C4' energy: -156.474
flat angles P-C4'-P energy: -98.775
tors. eta vs tors. theta energy: -203.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2379.159564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.159564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.159564 (E_RNA)
where:
Base-Base interactions energy: -1632.519
where: short stacking energy: -689.913
Base-Backbone interact. energy: -6.027
local terms energy: -740.613712
where:
bonds (distance) C4'-P energy: -125.451
bonds (distance) P-C4' energy: -138.297
flat angles C4'-P-C4' energy: -161.066
flat angles P-C4'-P energy: -97.229
tors. eta vs tors. theta energy: -218.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2073.266896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.266896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.266896 (E_RNA)
where:
Base-Base interactions energy: -1446.554
where: short stacking energy: -609.747
Base-Backbone interact. energy: 2.037
local terms energy: -628.750562
where:
bonds (distance) C4'-P energy: -124.108
bonds (distance) P-C4' energy: -126.600
flat angles C4'-P-C4' energy: -141.055
flat angles P-C4'-P energy: -82.644
tors. eta vs tors. theta energy: -154.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1991.437788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.437788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.437788 (E_RNA)
where:
Base-Base interactions energy: -1327.511
where: short stacking energy: -565.108
Base-Backbone interact. energy: -5.769
local terms energy: -658.157372
where:
bonds (distance) C4'-P energy: -135.297
bonds (distance) P-C4' energy: -136.532
flat angles C4'-P-C4' energy: -143.085
flat angles P-C4'-P energy: -91.774
tors. eta vs tors. theta energy: -151.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1742.634133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.634133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.634133 (E_RNA)
where:
Base-Base interactions energy: -1159.393
where: short stacking energy: -519.898
Base-Backbone interact. energy: -3.131
local terms energy: -580.110226
where:
bonds (distance) C4'-P energy: -136.915
bonds (distance) P-C4' energy: -128.425
flat angles C4'-P-C4' energy: -116.404
flat angles P-C4'-P energy: -77.765
tors. eta vs tors. theta energy: -120.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1568.083667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.083667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.083667 (E_RNA)
where:
Base-Base interactions energy: -1008.553
where: short stacking energy: -448.315
Base-Backbone interact. energy: -2.162
local terms energy: -557.368233
where:
bonds (distance) C4'-P energy: -107.771
bonds (distance) P-C4' energy: -122.825
flat angles C4'-P-C4' energy: -142.507
flat angles P-C4'-P energy: -84.356
tors. eta vs tors. theta energy: -99.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -887.106656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.106656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.106656 (E_RNA)
where:
Base-Base interactions energy: -455.790
where: short stacking energy: -262.592
Base-Backbone interact. energy: 3.514
local terms energy: -434.831345
where:
bonds (distance) C4'-P energy: -123.674
bonds (distance) P-C4' energy: -137.349
flat angles C4'-P-C4' energy: -105.545
flat angles P-C4'-P energy: -65.520
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -848.651260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.651260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.651260 (E_RNA)
where:
Base-Base interactions energy: -452.976
where: short stacking energy: -234.207
Base-Backbone interact. energy: -2.055
local terms energy: -393.619892
where:
bonds (distance) C4'-P energy: -108.399
bonds (distance) P-C4' energy: -120.078
flat angles C4'-P-C4' energy: -88.476
flat angles P-C4'-P energy: -61.034
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2627.324575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.324575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.324575 (E_RNA)
where:
Base-Base interactions energy: -1817.458
where: short stacking energy: -782.005
Base-Backbone interact. energy: -1.848
local terms energy: -808.018450
where:
bonds (distance) C4'-P energy: -137.399
bonds (distance) P-C4' energy: -137.030
flat angles C4'-P-C4' energy: -175.239
flat angles P-C4'-P energy: -117.742
tors. eta vs tors. theta energy: -240.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2519.167592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.167592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.167592 (E_RNA)
where:
Base-Base interactions energy: -1730.294
where: short stacking energy: -739.533
Base-Backbone interact. energy: -0.852
local terms energy: -788.020715
where:
bonds (distance) C4'-P energy: -139.390
bonds (distance) P-C4' energy: -143.116
flat angles C4'-P-C4' energy: -163.572
flat angles P-C4'-P energy: -124.095
tors. eta vs tors. theta energy: -217.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2433.514551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.514551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.514551 (E_RNA)
where:
Base-Base interactions energy: -1697.312
where: short stacking energy: -732.000
Base-Backbone interact. energy: 1.137
local terms energy: -737.339333
where:
bonds (distance) C4'-P energy: -148.463
bonds (distance) P-C4' energy: -135.744
flat angles C4'-P-C4' energy: -145.461
flat angles P-C4'-P energy: -90.581
tors. eta vs tors. theta energy: -217.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2369.794573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.794573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.794573 (E_RNA)
where:
Base-Base interactions energy: -1624.825
where: short stacking energy: -694.332
Base-Backbone interact. energy: 0.977
local terms energy: -745.946683
where:
bonds (distance) C4'-P energy: -134.017
bonds (distance) P-C4' energy: -131.149
flat angles C4'-P-C4' energy: -157.113
flat angles P-C4'-P energy: -109.383
tors. eta vs tors. theta energy: -214.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2175.389885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.389885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.389885 (E_RNA)
where:
Base-Base interactions energy: -1481.414
where: short stacking energy: -645.944
Base-Backbone interact. energy: 1.346
local terms energy: -695.322478
where:
bonds (distance) C4'-P energy: -132.722
bonds (distance) P-C4' energy: -127.442
flat angles C4'-P-C4' energy: -152.833
flat angles P-C4'-P energy: -95.238
tors. eta vs tors. theta energy: -187.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2004.481560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.481560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.481560 (E_RNA)
where:
Base-Base interactions energy: -1364.810
where: short stacking energy: -598.835
Base-Backbone interact. energy: -3.915
local terms energy: -635.756465
where:
bonds (distance) C4'-P energy: -136.468
bonds (distance) P-C4' energy: -111.449
flat angles C4'-P-C4' energy: -140.005
flat angles P-C4'-P energy: -80.979
tors. eta vs tors. theta energy: -166.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1830.873802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.873802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.873802 (E_RNA)
where:
Base-Base interactions energy: -1191.121
where: short stacking energy: -529.322
Base-Backbone interact. energy: 2.138
local terms energy: -641.890789
where:
bonds (distance) C4'-P energy: -127.775
bonds (distance) P-C4' energy: -143.028
flat angles C4'-P-C4' energy: -141.490
flat angles P-C4'-P energy: -92.040
tors. eta vs tors. theta energy: -137.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1443.567063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.567063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.567063 (E_RNA)
where:
Base-Base interactions energy: -908.639
where: short stacking energy: -422.487
Base-Backbone interact. energy: -2.930
local terms energy: -531.998760
where:
bonds (distance) C4'-P energy: -132.818
bonds (distance) P-C4' energy: -116.211
flat angles C4'-P-C4' energy: -122.336
flat angles P-C4'-P energy: -64.822
tors. eta vs tors. theta energy: -95.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -857.882546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.882546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.882546 (E_RNA)
where:
Base-Base interactions energy: -432.555
where: short stacking energy: -243.418
Base-Backbone interact. energy: -1.221
local terms energy: -424.107040
where:
bonds (distance) C4'-P energy: -124.681
bonds (distance) P-C4' energy: -126.344
flat angles C4'-P-C4' energy: -107.940
flat angles P-C4'-P energy: -53.640
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -809.022012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.022012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.022012 (E_RNA)
where:
Base-Base interactions energy: -407.368
where: short stacking energy: -232.176
Base-Backbone interact. energy: -3.826
local terms energy: -397.828619
where:
bonds (distance) C4'-P energy: -113.789
bonds (distance) P-C4' energy: -113.339
flat angles C4'-P-C4' energy: -116.916
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2594.619586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.619586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.619586 (E_RNA)
where:
Base-Base interactions energy: -1793.993
where: short stacking energy: -771.495
Base-Backbone interact. energy: -2.432
local terms energy: -798.193905
where:
bonds (distance) C4'-P energy: -141.115
bonds (distance) P-C4' energy: -151.762
flat angles C4'-P-C4' energy: -159.746
flat angles P-C4'-P energy: -116.237
tors. eta vs tors. theta energy: -229.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2505.800141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.800141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.800141 (E_RNA)
where:
Base-Base interactions energy: -1729.037
where: short stacking energy: -758.241
Base-Backbone interact. energy: -2.007
local terms energy: -774.756241
where:
bonds (distance) C4'-P energy: -137.891
bonds (distance) P-C4' energy: -138.939
flat angles C4'-P-C4' energy: -168.742
flat angles P-C4'-P energy: -100.800
tors. eta vs tors. theta energy: -228.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2436.179708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.179708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.179708 (E_RNA)
where:
Base-Base interactions energy: -1670.433
where: short stacking energy: -707.335
Base-Backbone interact. energy: -3.864
local terms energy: -761.883116
where:
bonds (distance) C4'-P energy: -143.893
bonds (distance) P-C4' energy: -136.668
flat angles C4'-P-C4' energy: -155.082
flat angles P-C4'-P energy: -110.851
tors. eta vs tors. theta energy: -215.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2343.791702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.791702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.791702 (E_RNA)
where:
Base-Base interactions energy: -1618.000
where: short stacking energy: -689.673
Base-Backbone interact. energy: -1.883
local terms energy: -723.908791
where:
bonds (distance) C4'-P energy: -129.179
bonds (distance) P-C4' energy: -129.698
flat angles C4'-P-C4' energy: -141.087
flat angles P-C4'-P energy: -110.832
tors. eta vs tors. theta energy: -213.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2128.453533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.453533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.453533 (E_RNA)
where:
Base-Base interactions energy: -1483.808
where: short stacking energy: -610.943
Base-Backbone interact. energy: -4.259
local terms energy: -640.386040
where:
bonds (distance) C4'-P energy: -106.393
bonds (distance) P-C4' energy: -132.252
flat angles C4'-P-C4' energy: -148.816
flat angles P-C4'-P energy: -97.291
tors. eta vs tors. theta energy: -155.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2047.674907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.674907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.674907 (E_RNA)
where:
Base-Base interactions energy: -1376.261
where: short stacking energy: -579.308
Base-Backbone interact. energy: -1.799
local terms energy: -669.614845
where:
bonds (distance) C4'-P energy: -149.903
bonds (distance) P-C4' energy: -118.467
flat angles C4'-P-C4' energy: -143.736
flat angles P-C4'-P energy: -84.742
tors. eta vs tors. theta energy: -172.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1857.248698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.248698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.248698 (E_RNA)
where:
Base-Base interactions energy: -1259.539
where: short stacking energy: -578.191
Base-Backbone interact. energy: -2.016
local terms energy: -595.693884
where:
bonds (distance) C4'-P energy: -109.722
bonds (distance) P-C4' energy: -135.275
flat angles C4'-P-C4' energy: -136.082
flat angles P-C4'-P energy: -60.235
tors. eta vs tors. theta energy: -154.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1476.420985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.420985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.420985 (E_RNA)
where:
Base-Base interactions energy: -977.596
where: short stacking energy: -432.148
Base-Backbone interact. energy: -0.755
local terms energy: -498.069908
where:
bonds (distance) C4'-P energy: -100.230
bonds (distance) P-C4' energy: -109.688
flat angles C4'-P-C4' energy: -122.442
flat angles P-C4'-P energy: -77.919
tors. eta vs tors. theta energy: -87.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -905.172751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.172751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.172751 (E_RNA)
where:
Base-Base interactions energy: -532.499
where: short stacking energy: -294.419
Base-Backbone interact. energy: 4.122
local terms energy: -376.795515
where:
bonds (distance) C4'-P energy: -114.518
bonds (distance) P-C4' energy: -103.677
flat angles C4'-P-C4' energy: -91.073
flat angles P-C4'-P energy: -66.548
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -895.463806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.463806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.463806 (E_RNA)
where:
Base-Base interactions energy: -465.973
where: short stacking energy: -243.379
Base-Backbone interact. energy: -2.479
local terms energy: -427.012483
where:
bonds (distance) C4'-P energy: -130.712
bonds (distance) P-C4' energy: -130.623
flat angles C4'-P-C4' energy: -96.468
flat angles P-C4'-P energy: -64.182
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2602.308710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.308710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.308710 (E_RNA)
where:
Base-Base interactions energy: -1780.174
where: short stacking energy: -762.182
Base-Backbone interact. energy: -3.833
local terms energy: -818.301335
where:
bonds (distance) C4'-P energy: -144.234
bonds (distance) P-C4' energy: -149.177
flat angles C4'-P-C4' energy: -165.199
flat angles P-C4'-P energy: -120.771
tors. eta vs tors. theta energy: -238.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2526.901840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.901840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.901840 (E_RNA)
where:
Base-Base interactions energy: -1711.806
where: short stacking energy: -759.258
Base-Backbone interact. energy: -2.116
local terms energy: -812.980008
where:
bonds (distance) C4'-P energy: -146.317
bonds (distance) P-C4' energy: -143.777
flat angles C4'-P-C4' energy: -168.374
flat angles P-C4'-P energy: -120.943
tors. eta vs tors. theta energy: -233.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2402.596719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.596719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.596719 (E_RNA)
where:
Base-Base interactions energy: -1682.027
where: short stacking energy: -708.617
Base-Backbone interact. energy: 1.440
local terms energy: -722.009918
where:
bonds (distance) C4'-P energy: -141.068
bonds (distance) P-C4' energy: -136.940
flat angles C4'-P-C4' energy: -146.162
flat angles P-C4'-P energy: -85.427
tors. eta vs tors. theta energy: -212.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2381.832410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.832410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.832410 (E_RNA)
where:
Base-Base interactions energy: -1645.308
where: short stacking energy: -725.074
Base-Backbone interact. energy: -3.815
local terms energy: -732.710170
where:
bonds (distance) C4'-P energy: -134.494
bonds (distance) P-C4' energy: -126.245
flat angles C4'-P-C4' energy: -157.012
flat angles P-C4'-P energy: -101.637
tors. eta vs tors. theta energy: -213.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2147.134765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.134765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.134765 (E_RNA)
where:
Base-Base interactions energy: -1492.348
where: short stacking energy: -656.912
Base-Backbone interact. energy: -0.070
local terms energy: -654.717131
where:
bonds (distance) C4'-P energy: -116.884
bonds (distance) P-C4' energy: -141.656
flat angles C4'-P-C4' energy: -145.492
flat angles P-C4'-P energy: -79.831
tors. eta vs tors. theta energy: -170.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2065.731669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.731669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.731669 (E_RNA)
where:
Base-Base interactions energy: -1380.726
where: short stacking energy: -618.715
Base-Backbone interact. energy: -1.610
local terms energy: -683.395386
where:
bonds (distance) C4'-P energy: -139.454
bonds (distance) P-C4' energy: -112.379
flat angles C4'-P-C4' energy: -152.568
flat angles P-C4'-P energy: -94.346
tors. eta vs tors. theta energy: -184.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1916.185288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.185288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.185288 (E_RNA)
where:
Base-Base interactions energy: -1286.056
where: short stacking energy: -584.053
Base-Backbone interact. energy: 0.360
local terms energy: -630.489481
where:
bonds (distance) C4'-P energy: -125.257
bonds (distance) P-C4' energy: -126.697
flat angles C4'-P-C4' energy: -136.080
flat angles P-C4'-P energy: -87.508
tors. eta vs tors. theta energy: -154.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1441.333151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.333151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.333151 (E_RNA)
where:
Base-Base interactions energy: -916.914
where: short stacking energy: -400.926
Base-Backbone interact. energy: 2.935
local terms energy: -527.354775
where:
bonds (distance) C4'-P energy: -106.391
bonds (distance) P-C4' energy: -131.751
flat angles C4'-P-C4' energy: -141.312
flat angles P-C4'-P energy: -70.496
tors. eta vs tors. theta energy: -77.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -863.151256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.151256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.151256 (E_RNA)
where:
Base-Base interactions energy: -423.532
where: short stacking energy: -236.033
Base-Backbone interact. energy: 3.365
local terms energy: -442.984079
where:
bonds (distance) C4'-P energy: -128.177
bonds (distance) P-C4' energy: -120.858
flat angles C4'-P-C4' energy: -113.237
flat angles P-C4'-P energy: -78.307
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -868.898353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.898353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.898353 (E_RNA)
where:
Base-Base interactions energy: -469.172
where: short stacking energy: -215.417
Base-Backbone interact. energy: -1.013
local terms energy: -398.713485
where:
bonds (distance) C4'-P energy: -113.403
bonds (distance) P-C4' energy: -125.091
flat angles C4'-P-C4' energy: -104.342
flat angles P-C4'-P energy: -62.583
tors. eta vs tors. theta energy: 6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2611.573980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.573980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.573980 (E_RNA)
where:
Base-Base interactions energy: -1811.827
where: short stacking energy: -785.166
Base-Backbone interact. energy: 0.162
local terms energy: -799.908434
where:
bonds (distance) C4'-P energy: -133.341
bonds (distance) P-C4' energy: -156.950
flat angles C4'-P-C4' energy: -162.498
flat angles P-C4'-P energy: -104.352
tors. eta vs tors. theta energy: -242.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2520.976349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.976349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.976349 (E_RNA)
where:
Base-Base interactions energy: -1737.470
where: short stacking energy: -760.368
Base-Backbone interact. energy: 1.858
local terms energy: -785.364010
where:
bonds (distance) C4'-P energy: -123.577
bonds (distance) P-C4' energy: -159.277
flat angles C4'-P-C4' energy: -162.076
flat angles P-C4'-P energy: -113.227
tors. eta vs tors. theta energy: -227.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2431.929359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.929359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.929359 (E_RNA)
where:
Base-Base interactions energy: -1674.932
where: short stacking energy: -709.141
Base-Backbone interact. energy: -3.414
local terms energy: -753.583235
where:
bonds (distance) C4'-P energy: -116.614
bonds (distance) P-C4' energy: -152.852
flat angles C4'-P-C4' energy: -165.708
flat angles P-C4'-P energy: -98.158
tors. eta vs tors. theta energy: -220.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2339.713273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.713273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.713273 (E_RNA)
where:
Base-Base interactions energy: -1606.957
where: short stacking energy: -707.764
Base-Backbone interact. energy: -1.435
local terms energy: -731.321401
where:
bonds (distance) C4'-P energy: -133.353
bonds (distance) P-C4' energy: -128.495
flat angles C4'-P-C4' energy: -156.901
flat angles P-C4'-P energy: -103.740
tors. eta vs tors. theta energy: -208.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2120.276701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.276701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.276701 (E_RNA)
where:
Base-Base interactions energy: -1446.687
where: short stacking energy: -611.919
Base-Backbone interact. energy: -3.895
local terms energy: -669.695446
where:
bonds (distance) C4'-P energy: -143.435
bonds (distance) P-C4' energy: -130.627
flat angles C4'-P-C4' energy: -140.365
flat angles P-C4'-P energy: -97.849
tors. eta vs tors. theta energy: -157.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1965.359026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.359026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.359026 (E_RNA)
where:
Base-Base interactions energy: -1302.783
where: short stacking energy: -564.366
Base-Backbone interact. energy: 5.666
local terms energy: -668.241942
where:
bonds (distance) C4'-P energy: -121.061
bonds (distance) P-C4' energy: -136.274
flat angles C4'-P-C4' energy: -157.840
flat angles P-C4'-P energy: -104.207
tors. eta vs tors. theta energy: -148.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1855.230456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.230456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.230456 (E_RNA)
where:
Base-Base interactions energy: -1233.788
where: short stacking energy: -539.789
Base-Backbone interact. energy: -2.611
local terms energy: -618.831410
where:
bonds (distance) C4'-P energy: -126.113
bonds (distance) P-C4' energy: -136.485
flat angles C4'-P-C4' energy: -132.649
flat angles P-C4'-P energy: -90.700
tors. eta vs tors. theta energy: -132.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1500.553313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.553313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.553313 (E_RNA)
where:
Base-Base interactions energy: -951.968
where: short stacking energy: -452.103
Base-Backbone interact. energy: -1.636
local terms energy: -546.950110
where:
bonds (distance) C4'-P energy: -128.381
bonds (distance) P-C4' energy: -121.415
flat angles C4'-P-C4' energy: -109.150
flat angles P-C4'-P energy: -86.010
tors. eta vs tors. theta energy: -101.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -942.695763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.695763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.695763 (E_RNA)
where:
Base-Base interactions energy: -485.905
where: short stacking energy: -266.902
Base-Backbone interact. energy: 4.295
local terms energy: -461.085743
where:
bonds (distance) C4'-P energy: -116.799
bonds (distance) P-C4' energy: -135.187
flat angles C4'-P-C4' energy: -115.189
flat angles P-C4'-P energy: -69.802
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -856.007261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.007261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.007261 (E_RNA)
where:
Base-Base interactions energy: -458.627
where: short stacking energy: -253.608
Base-Backbone interact. energy: 1.501
local terms energy: -398.881113
where:
bonds (distance) C4'-P energy: -117.750
bonds (distance) P-C4' energy: -106.355
flat angles C4'-P-C4' energy: -109.443
flat angles P-C4'-P energy: -42.824
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2634.452817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.452817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.452817 (E_RNA)
where:
Base-Base interactions energy: -1822.645
where: short stacking energy: -786.616
Base-Backbone interact. energy: -3.385
local terms energy: -808.422899
where:
bonds (distance) C4'-P energy: -140.388
bonds (distance) P-C4' energy: -138.547
flat angles C4'-P-C4' energy: -170.605
flat angles P-C4'-P energy: -120.627
tors. eta vs tors. theta energy: -238.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2551.960956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.960956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.960956 (E_RNA)
where:
Base-Base interactions energy: -1724.359
where: short stacking energy: -771.818
Base-Backbone interact. energy: -2.727
local terms energy: -824.875080
where:
bonds (distance) C4'-P energy: -142.291
bonds (distance) P-C4' energy: -147.226
flat angles C4'-P-C4' energy: -170.209
flat angles P-C4'-P energy: -124.142
tors. eta vs tors. theta energy: -241.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2394.100782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.100782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.100782 (E_RNA)
where:
Base-Base interactions energy: -1668.031
where: short stacking energy: -693.777
Base-Backbone interact. energy: 0.030
local terms energy: -726.100277
where:
bonds (distance) C4'-P energy: -139.110
bonds (distance) P-C4' energy: -145.765
flat angles C4'-P-C4' energy: -157.838
flat angles P-C4'-P energy: -99.279
tors. eta vs tors. theta energy: -184.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2323.650814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.650814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.650814 (E_RNA)
where:
Base-Base interactions energy: -1601.540
where: short stacking energy: -702.998
Base-Backbone interact. energy: -1.580
local terms energy: -720.531001
where:
bonds (distance) C4'-P energy: -116.032
bonds (distance) P-C4' energy: -134.102
flat angles C4'-P-C4' energy: -162.940
flat angles P-C4'-P energy: -97.030
tors. eta vs tors. theta energy: -210.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2150.147353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.147353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.147353 (E_RNA)
where:
Base-Base interactions energy: -1463.343
where: short stacking energy: -617.575
Base-Backbone interact. energy: -4.315
local terms energy: -682.489869
where:
bonds (distance) C4'-P energy: -135.771
bonds (distance) P-C4' energy: -117.944
flat angles C4'-P-C4' energy: -150.144
flat angles P-C4'-P energy: -102.974
tors. eta vs tors. theta energy: -175.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2030.555104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.555104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.555104 (E_RNA)
where:
Base-Base interactions energy: -1360.419
where: short stacking energy: -593.498
Base-Backbone interact. energy: -1.755
local terms energy: -668.381655
where:
bonds (distance) C4'-P energy: -146.624
bonds (distance) P-C4' energy: -121.162
flat angles C4'-P-C4' energy: -136.455
flat angles P-C4'-P energy: -90.595
tors. eta vs tors. theta energy: -173.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1851.112130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.112130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.112130 (E_RNA)
where:
Base-Base interactions energy: -1242.451
where: short stacking energy: -569.087
Base-Backbone interact. energy: 4.102
local terms energy: -612.763102
where:
bonds (distance) C4'-P energy: -128.756
bonds (distance) P-C4' energy: -107.397
flat angles C4'-P-C4' energy: -125.682
flat angles P-C4'-P energy: -93.153
tors. eta vs tors. theta energy: -157.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1457.886246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.886246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.886246 (E_RNA)
where:
Base-Base interactions energy: -898.839
where: short stacking energy: -425.451
Base-Backbone interact. energy: 3.504
local terms energy: -562.550799
where:
bonds (distance) C4'-P energy: -129.144
bonds (distance) P-C4' energy: -134.829
flat angles C4'-P-C4' energy: -138.511
flat angles P-C4'-P energy: -88.330
tors. eta vs tors. theta energy: -71.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -950.560972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.560972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.560972 (E_RNA)
where:
Base-Base interactions energy: -521.449
where: short stacking energy: -269.100
Base-Backbone interact. energy: 1.884
local terms energy: -430.995346
where:
bonds (distance) C4'-P energy: -122.008
bonds (distance) P-C4' energy: -94.878
flat angles C4'-P-C4' energy: -109.462
flat angles P-C4'-P energy: -82.345
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -799.124648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.124648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.124648 (E_RNA)
where:
Base-Base interactions energy: -403.984
where: short stacking energy: -224.378
Base-Backbone interact. energy: -3.992
local terms energy: -391.148599
where:
bonds (distance) C4'-P energy: -111.852
bonds (distance) P-C4' energy: -119.512
flat angles C4'-P-C4' energy: -96.342
flat angles P-C4'-P energy: -61.831
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2632.736394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.736394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.736394 (E_RNA)
where:
Base-Base interactions energy: -1808.321
where: short stacking energy: -770.356
Base-Backbone interact. energy: -2.236
local terms energy: -822.179642
where:
bonds (distance) C4'-P energy: -150.402
bonds (distance) P-C4' energy: -148.392
flat angles C4'-P-C4' energy: -169.081
flat angles P-C4'-P energy: -114.198
tors. eta vs tors. theta energy: -240.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2555.922362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.922362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.922362 (E_RNA)
where:
Base-Base interactions energy: -1729.309
where: short stacking energy: -771.971
Base-Backbone interact. energy: -6.278
local terms energy: -820.335551
where:
bonds (distance) C4'-P energy: -136.171
bonds (distance) P-C4' energy: -167.814
flat angles C4'-P-C4' energy: -169.643
flat angles P-C4'-P energy: -121.237
tors. eta vs tors. theta energy: -225.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2389.533277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.533277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.533277 (E_RNA)
where:
Base-Base interactions energy: -1675.956
where: short stacking energy: -697.442
Base-Backbone interact. energy: 2.430
local terms energy: -716.007428
where:
bonds (distance) C4'-P energy: -121.853
bonds (distance) P-C4' energy: -143.315
flat angles C4'-P-C4' energy: -152.998
flat angles P-C4'-P energy: -94.677
tors. eta vs tors. theta energy: -203.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2305.433699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.433699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.433699 (E_RNA)
where:
Base-Base interactions energy: -1569.633
where: short stacking energy: -669.524
Base-Backbone interact. energy: -1.555
local terms energy: -734.246236
where:
bonds (distance) C4'-P energy: -124.470
bonds (distance) P-C4' energy: -133.396
flat angles C4'-P-C4' energy: -162.485
flat angles P-C4'-P energy: -111.466
tors. eta vs tors. theta energy: -202.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2218.678671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.678671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.678671 (E_RNA)
where:
Base-Base interactions energy: -1523.480
where: short stacking energy: -629.481
Base-Backbone interact. energy: -2.134
local terms energy: -693.064805
where:
bonds (distance) C4'-P energy: -132.037
bonds (distance) P-C4' energy: -126.200
flat angles C4'-P-C4' energy: -148.816
flat angles P-C4'-P energy: -103.036
tors. eta vs tors. theta energy: -182.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2065.765460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.765460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.765460 (E_RNA)
where:
Base-Base interactions energy: -1409.347
where: short stacking energy: -620.637
Base-Backbone interact. energy: -0.602
local terms energy: -655.816445
where:
bonds (distance) C4'-P energy: -115.361
bonds (distance) P-C4' energy: -132.454
flat angles C4'-P-C4' energy: -148.895
flat angles P-C4'-P energy: -91.078
tors. eta vs tors. theta energy: -168.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1894.682197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.682197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.682197 (E_RNA)
where:
Base-Base interactions energy: -1248.162
where: short stacking energy: -563.590
Base-Backbone interact. energy: -1.369
local terms energy: -645.151070
where:
bonds (distance) C4'-P energy: -117.711
bonds (distance) P-C4' energy: -134.297
flat angles C4'-P-C4' energy: -144.391
flat angles P-C4'-P energy: -100.389
tors. eta vs tors. theta energy: -148.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1437.995344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.995344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.995344 (E_RNA)
where:
Base-Base interactions energy: -888.325
where: short stacking energy: -421.312
Base-Backbone interact. energy: 0.074
local terms energy: -549.744641
where:
bonds (distance) C4'-P energy: -116.426
bonds (distance) P-C4' energy: -131.137
flat angles C4'-P-C4' energy: -132.293
flat angles P-C4'-P energy: -71.801
tors. eta vs tors. theta energy: -98.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -944.713343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.713343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.713343 (E_RNA)
where:
Base-Base interactions energy: -519.252
where: short stacking energy: -275.391
Base-Backbone interact. energy: -4.471
local terms energy: -420.990212
where:
bonds (distance) C4'-P energy: -106.232
bonds (distance) P-C4' energy: -117.168
flat angles C4'-P-C4' energy: -104.244
flat angles P-C4'-P energy: -68.439
tors. eta vs tors. theta energy: -24.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -831.925454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.925454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.925454 (E_RNA)
where:
Base-Base interactions energy: -424.064
where: short stacking energy: -256.883
Base-Backbone interact. energy: 1.714
local terms energy: -409.575654
where:
bonds (distance) C4'-P energy: -117.048
bonds (distance) P-C4' energy: -124.338
flat angles C4'-P-C4' energy: -94.778
flat angles P-C4'-P energy: -67.500
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2600.000789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.000789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.000789 (E_RNA)
where:
Base-Base interactions energy: -1771.747
where: short stacking energy: -779.384
Base-Backbone interact. energy: -3.780
local terms energy: -824.473364
where:
bonds (distance) C4'-P energy: -148.254
bonds (distance) P-C4' energy: -132.561
flat angles C4'-P-C4' energy: -172.578
flat angles P-C4'-P energy: -121.782
tors. eta vs tors. theta energy: -249.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2532.455152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.455152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.455152 (E_RNA)
where:
Base-Base interactions energy: -1724.649
where: short stacking energy: -755.877
Base-Backbone interact. energy: -1.169
local terms energy: -806.637475
where:
bonds (distance) C4'-P energy: -145.364
bonds (distance) P-C4' energy: -143.564
flat angles C4'-P-C4' energy: -174.842
flat angles P-C4'-P energy: -103.072
tors. eta vs tors. theta energy: -239.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2385.351195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.351195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.351195 (E_RNA)
where:
Base-Base interactions energy: -1650.810
where: short stacking energy: -708.024
Base-Backbone interact. energy: -4.132
local terms energy: -730.409186
where:
bonds (distance) C4'-P energy: -135.602
bonds (distance) P-C4' energy: -141.335
flat angles C4'-P-C4' energy: -162.748
flat angles P-C4'-P energy: -91.987
tors. eta vs tors. theta energy: -198.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2339.040917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.040917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.040917 (E_RNA)
where:
Base-Base interactions energy: -1600.848
where: short stacking energy: -703.045
Base-Backbone interact. energy: -3.003
local terms energy: -735.190084
where:
bonds (distance) C4'-P energy: -123.357
bonds (distance) P-C4' energy: -130.316
flat angles C4'-P-C4' energy: -164.460
flat angles P-C4'-P energy: -101.436
tors. eta vs tors. theta energy: -215.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2195.308903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.308903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.308903 (E_RNA)
where:
Base-Base interactions energy: -1501.725
where: short stacking energy: -623.188
Base-Backbone interact. energy: 0.069
local terms energy: -693.652549
where:
bonds (distance) C4'-P energy: -138.066
bonds (distance) P-C4' energy: -125.550
flat angles C4'-P-C4' energy: -158.497
flat angles P-C4'-P energy: -103.795
tors. eta vs tors. theta energy: -167.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2034.053736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.053736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.053736 (E_RNA)
where:
Base-Base interactions energy: -1378.303
where: short stacking energy: -604.675
Base-Backbone interact. energy: 3.845
local terms energy: -659.595768
where:
bonds (distance) C4'-P energy: -125.013
bonds (distance) P-C4' energy: -115.724
flat angles C4'-P-C4' energy: -152.349
flat angles P-C4'-P energy: -104.486
tors. eta vs tors. theta energy: -162.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1858.561826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.561826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.561826 (E_RNA)
where:
Base-Base interactions energy: -1254.372
where: short stacking energy: -557.919
Base-Backbone interact. energy: -6.418
local terms energy: -597.771337
where:
bonds (distance) C4'-P energy: -106.720
bonds (distance) P-C4' energy: -113.822
flat angles C4'-P-C4' energy: -130.868
flat angles P-C4'-P energy: -100.324
tors. eta vs tors. theta energy: -146.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1484.398666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.398666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.398666 (E_RNA)
where:
Base-Base interactions energy: -963.223
where: short stacking energy: -449.845
Base-Backbone interact. energy: 1.151
local terms energy: -522.327019
where:
bonds (distance) C4'-P energy: -109.699
bonds (distance) P-C4' energy: -113.619
flat angles C4'-P-C4' energy: -127.862
flat angles P-C4'-P energy: -79.076
tors. eta vs tors. theta energy: -92.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1009.913575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.913575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.913575 (E_RNA)
where:
Base-Base interactions energy: -559.855
where: short stacking energy: -298.177
Base-Backbone interact. energy: -4.254
local terms energy: -445.804215
where:
bonds (distance) C4'-P energy: -86.367
bonds (distance) P-C4' energy: -128.395
flat angles C4'-P-C4' energy: -139.429
flat angles P-C4'-P energy: -70.076
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -849.986666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.986666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.986666 (E_RNA)
where:
Base-Base interactions energy: -448.890
where: short stacking energy: -256.934
Base-Backbone interact. energy: -1.466
local terms energy: -399.631117
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -94.351
flat angles C4'-P-C4' energy: -106.462
flat angles P-C4'-P energy: -62.109
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2578.487243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.487243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.487243 (E_RNA)
where:
Base-Base interactions energy: -1749.449
where: short stacking energy: -781.458
Base-Backbone interact. energy: -2.591
local terms energy: -826.447323
where:
bonds (distance) C4'-P energy: -147.545
bonds (distance) P-C4' energy: -162.234
flat angles C4'-P-C4' energy: -165.143
flat angles P-C4'-P energy: -114.705
tors. eta vs tors. theta energy: -236.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2545.904216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.904216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.904216 (E_RNA)
where:
Base-Base interactions energy: -1738.494
where: short stacking energy: -751.011
Base-Backbone interact. energy: -1.535
local terms energy: -805.875491
where:
bonds (distance) C4'-P energy: -145.016
bonds (distance) P-C4' energy: -153.167
flat angles C4'-P-C4' energy: -164.211
flat angles P-C4'-P energy: -115.570
tors. eta vs tors. theta energy: -227.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2406.414148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.414148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.414148 (E_RNA)
where:
Base-Base interactions energy: -1656.366
where: short stacking energy: -729.989
Base-Backbone interact. energy: 3.422
local terms energy: -753.470017
where:
bonds (distance) C4'-P energy: -147.996
bonds (distance) P-C4' energy: -137.425
flat angles C4'-P-C4' energy: -159.523
flat angles P-C4'-P energy: -95.005
tors. eta vs tors. theta energy: -213.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2331.525620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.525620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.525620 (E_RNA)
where:
Base-Base interactions energy: -1583.820
where: short stacking energy: -716.078
Base-Backbone interact. energy: -2.410
local terms energy: -745.295328
where:
bonds (distance) C4'-P energy: -135.795
bonds (distance) P-C4' energy: -129.926
flat angles C4'-P-C4' energy: -158.933
flat angles P-C4'-P energy: -102.972
tors. eta vs tors. theta energy: -217.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2198.336268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.336268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.336268 (E_RNA)
where:
Base-Base interactions energy: -1494.985
where: short stacking energy: -619.976
Base-Backbone interact. energy: 1.348
local terms energy: -704.699340
where:
bonds (distance) C4'-P energy: -131.846
bonds (distance) P-C4' energy: -131.987
flat angles C4'-P-C4' energy: -152.999
flat angles P-C4'-P energy: -112.652
tors. eta vs tors. theta energy: -175.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2066.585450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.585450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.585450 (E_RNA)
where:
Base-Base interactions energy: -1405.740
where: short stacking energy: -615.251
Base-Backbone interact. energy: -2.772
local terms energy: -658.073102
where:
bonds (distance) C4'-P energy: -130.930
bonds (distance) P-C4' energy: -132.228
flat angles C4'-P-C4' energy: -145.767
flat angles P-C4'-P energy: -97.461
tors. eta vs tors. theta energy: -151.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1872.593434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.593434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.593434 (E_RNA)
where:
Base-Base interactions energy: -1247.532
where: short stacking energy: -548.655
Base-Backbone interact. energy: -1.128
local terms energy: -623.933226
where:
bonds (distance) C4'-P energy: -131.432
bonds (distance) P-C4' energy: -121.223
flat angles C4'-P-C4' energy: -139.826
flat angles P-C4'-P energy: -84.674
tors. eta vs tors. theta energy: -146.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1459.868246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.868246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.868246 (E_RNA)
where:
Base-Base interactions energy: -922.074
where: short stacking energy: -425.189
Base-Backbone interact. energy: 0.246
local terms energy: -538.040360
where:
bonds (distance) C4'-P energy: -117.008
bonds (distance) P-C4' energy: -145.398
flat angles C4'-P-C4' energy: -114.651
flat angles P-C4'-P energy: -74.154
tors. eta vs tors. theta energy: -86.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -991.753475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.753475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.753475 (E_RNA)
where:
Base-Base interactions energy: -536.313
where: short stacking energy: -296.169
Base-Backbone interact. energy: -1.538
local terms energy: -453.902729
where:
bonds (distance) C4'-P energy: -99.930
bonds (distance) P-C4' energy: -128.715
flat angles C4'-P-C4' energy: -115.456
flat angles P-C4'-P energy: -73.205
tors. eta vs tors. theta energy: -36.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -831.903180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.903180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.903180 (E_RNA)
where:
Base-Base interactions energy: -403.086
where: short stacking energy: -232.825
Base-Backbone interact. energy: 4.088
local terms energy: -432.904846
where:
bonds (distance) C4'-P energy: -121.893
bonds (distance) P-C4' energy: -115.052
flat angles C4'-P-C4' energy: -117.545
flat angles P-C4'-P energy: -66.815
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2629.940037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.940037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.940037 (E_RNA)
where:
Base-Base interactions energy: -1781.726
where: short stacking energy: -779.524
Base-Backbone interact. energy: -1.742
local terms energy: -846.471353
where:
bonds (distance) C4'-P energy: -140.146
bonds (distance) P-C4' energy: -151.344
flat angles C4'-P-C4' energy: -178.030
flat angles P-C4'-P energy: -131.776
tors. eta vs tors. theta energy: -245.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2548.308950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.308950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.308950 (E_RNA)
where:
Base-Base interactions energy: -1741.601
where: short stacking energy: -743.585
Base-Backbone interact. energy: -1.874
local terms energy: -804.833813
where:
bonds (distance) C4'-P energy: -134.165
bonds (distance) P-C4' energy: -139.698
flat angles C4'-P-C4' energy: -175.448
flat angles P-C4'-P energy: -118.195
tors. eta vs tors. theta energy: -237.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2416.998515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.998515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.998515 (E_RNA)
where:
Base-Base interactions energy: -1668.659
where: short stacking energy: -728.057
Base-Backbone interact. energy: -3.032
local terms energy: -745.307858
where:
bonds (distance) C4'-P energy: -139.753
bonds (distance) P-C4' energy: -131.326
flat angles C4'-P-C4' energy: -166.282
flat angles P-C4'-P energy: -102.206
tors. eta vs tors. theta energy: -205.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2319.769608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.769608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.769608 (E_RNA)
where:
Base-Base interactions energy: -1581.208
where: short stacking energy: -689.057
Base-Backbone interact. energy: 0.742
local terms energy: -739.303535
where:
bonds (distance) C4'-P energy: -150.510
bonds (distance) P-C4' energy: -119.837
flat angles C4'-P-C4' energy: -164.538
flat angles P-C4'-P energy: -92.599
tors. eta vs tors. theta energy: -211.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2282.823348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.823348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.823348 (E_RNA)
where:
Base-Base interactions energy: -1557.204
where: short stacking energy: -658.724
Base-Backbone interact. energy: -1.440
local terms energy: -724.179205
where:
bonds (distance) C4'-P energy: -126.026
bonds (distance) P-C4' energy: -133.425
flat angles C4'-P-C4' energy: -143.172
flat angles P-C4'-P energy: -109.548
tors. eta vs tors. theta energy: -212.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2079.068318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.068318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.068318 (E_RNA)
where:
Base-Base interactions energy: -1413.518
where: short stacking energy: -607.320
Base-Backbone interact. energy: -1.839
local terms energy: -663.711446
where:
bonds (distance) C4'-P energy: -120.919
bonds (distance) P-C4' energy: -122.367
flat angles C4'-P-C4' energy: -153.414
flat angles P-C4'-P energy: -97.047
tors. eta vs tors. theta energy: -169.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1800.231967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.231967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.231967 (E_RNA)
where:
Base-Base interactions energy: -1176.676
where: short stacking energy: -538.202
Base-Backbone interact. energy: -2.802
local terms energy: -620.754162
where:
bonds (distance) C4'-P energy: -139.151
bonds (distance) P-C4' energy: -133.790
flat angles C4'-P-C4' energy: -137.360
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -124.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1458.205473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.205473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.205473 (E_RNA)
where:
Base-Base interactions energy: -937.131
where: short stacking energy: -417.245
Base-Backbone interact. energy: 0.050
local terms energy: -521.124342
where:
bonds (distance) C4'-P energy: -120.571
bonds (distance) P-C4' energy: -124.611
flat angles C4'-P-C4' energy: -136.009
flat angles P-C4'-P energy: -68.561
tors. eta vs tors. theta energy: -71.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -988.022726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.022726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.022726 (E_RNA)
where:
Base-Base interactions energy: -562.832
where: short stacking energy: -252.456
Base-Backbone interact. energy: 2.551
local terms energy: -427.742329
where:
bonds (distance) C4'-P energy: -133.321
bonds (distance) P-C4' energy: -122.021
flat angles C4'-P-C4' energy: -117.298
flat angles P-C4'-P energy: -54.045
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -776.697471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.697471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.697471 (E_RNA)
where:
Base-Base interactions energy: -388.519
where: short stacking energy: -218.114
Base-Backbone interact. energy: 3.305
local terms energy: -391.483340
where:
bonds (distance) C4'-P energy: -108.732
bonds (distance) P-C4' energy: -122.195
flat angles C4'-P-C4' energy: -101.015
flat angles P-C4'-P energy: -58.099
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2611.479223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.479223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.479223 (E_RNA)
where:
Base-Base interactions energy: -1805.765
where: short stacking energy: -787.633
Base-Backbone interact. energy: -1.708
local terms energy: -804.005955
where:
bonds (distance) C4'-P energy: -154.890
bonds (distance) P-C4' energy: -144.246
flat angles C4'-P-C4' energy: -166.900
flat angles P-C4'-P energy: -108.926
tors. eta vs tors. theta energy: -229.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2576.904765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.904765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.904765 (E_RNA)
where:
Base-Base interactions energy: -1760.896
where: short stacking energy: -759.292
Base-Backbone interact. energy: -1.846
local terms energy: -814.162845
where:
bonds (distance) C4'-P energy: -143.821
bonds (distance) P-C4' energy: -148.253
flat angles C4'-P-C4' energy: -163.188
flat angles P-C4'-P energy: -118.550
tors. eta vs tors. theta energy: -240.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2417.201787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.201787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.201787 (E_RNA)
where:
Base-Base interactions energy: -1641.437
where: short stacking energy: -697.474
Base-Backbone interact. energy: -3.230
local terms energy: -772.534692
where:
bonds (distance) C4'-P energy: -148.409
bonds (distance) P-C4' energy: -147.495
flat angles C4'-P-C4' energy: -168.626
flat angles P-C4'-P energy: -101.923
tors. eta vs tors. theta energy: -206.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2319.304676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.304676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.304676 (E_RNA)
where:
Base-Base interactions energy: -1595.637
where: short stacking energy: -707.371
Base-Backbone interact. energy: -3.528
local terms energy: -720.139773
where:
bonds (distance) C4'-P energy: -136.386
bonds (distance) P-C4' energy: -146.059
flat angles C4'-P-C4' energy: -141.693
flat angles P-C4'-P energy: -88.764
tors. eta vs tors. theta energy: -207.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2204.696659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.696659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.696659 (E_RNA)
where:
Base-Base interactions energy: -1485.891
where: short stacking energy: -613.588
Base-Backbone interact. energy: -3.452
local terms energy: -715.353548
where:
bonds (distance) C4'-P energy: -133.079
bonds (distance) P-C4' energy: -143.067
flat angles C4'-P-C4' energy: -151.012
flat angles P-C4'-P energy: -100.392
tors. eta vs tors. theta energy: -187.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2111.844753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.844753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.844753 (E_RNA)
where:
Base-Base interactions energy: -1453.993
where: short stacking energy: -646.229
Base-Backbone interact. energy: -3.235
local terms energy: -654.616822
where:
bonds (distance) C4'-P energy: -120.144
bonds (distance) P-C4' energy: -117.518
flat angles C4'-P-C4' energy: -147.806
flat angles P-C4'-P energy: -88.708
tors. eta vs tors. theta energy: -180.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1759.120169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.120169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.120169 (E_RNA)
where:
Base-Base interactions energy: -1160.553
where: short stacking energy: -528.672
Base-Backbone interact. energy: -3.856
local terms energy: -594.711293
where:
bonds (distance) C4'-P energy: -116.150
bonds (distance) P-C4' energy: -125.929
flat angles C4'-P-C4' energy: -125.756
flat angles P-C4'-P energy: -87.775
tors. eta vs tors. theta energy: -139.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1407.985938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.985938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.985938 (E_RNA)
where:
Base-Base interactions energy: -917.518
where: short stacking energy: -407.239
Base-Backbone interact. energy: 5.910
local terms energy: -496.378750
where:
bonds (distance) C4'-P energy: -112.387
bonds (distance) P-C4' energy: -106.663
flat angles C4'-P-C4' energy: -119.614
flat angles P-C4'-P energy: -82.324
tors. eta vs tors. theta energy: -75.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -974.974951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.974951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.974951 (E_RNA)
where:
Base-Base interactions energy: -557.283
where: short stacking energy: -285.475
Base-Backbone interact. energy: -2.587
local terms energy: -415.105152
where:
bonds (distance) C4'-P energy: -119.434
bonds (distance) P-C4' energy: -127.742
flat angles C4'-P-C4' energy: -88.349
flat angles P-C4'-P energy: -50.028
tors. eta vs tors. theta energy: -29.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -821.364324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.364324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.364324 (E_RNA)
where:
Base-Base interactions energy: -432.951
where: short stacking energy: -250.203
Base-Backbone interact. energy: 3.080
local terms energy: -391.493041
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -110.669
flat angles C4'-P-C4' energy: -112.676
flat angles P-C4'-P energy: -68.760
tors. eta vs tors. theta energy: 7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2620.969494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.969494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.969494 (E_RNA)
where:
Base-Base interactions energy: -1784.217
where: short stacking energy: -777.171
Base-Backbone interact. energy: -5.295
local terms energy: -831.457782
where:
bonds (distance) C4'-P energy: -155.905
bonds (distance) P-C4' energy: -138.031
flat angles C4'-P-C4' energy: -170.392
flat angles P-C4'-P energy: -122.332
tors. eta vs tors. theta energy: -244.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -2547.495751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.495751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.495751 (E_RNA)
where:
Base-Base interactions energy: -1763.165
where: short stacking energy: -746.830
Base-Backbone interact. energy: -0.709
local terms energy: -783.621004
where:
bonds (distance) C4'-P energy: -142.661
bonds (distance) P-C4' energy: -139.269
flat angles C4'-P-C4' energy: -168.362
flat angles P-C4'-P energy: -97.755
tors. eta vs tors. theta energy: -235.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2471.532603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.532603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.532603 (E_RNA)
where:
Base-Base interactions energy: -1722.191
where: short stacking energy: -733.282
Base-Backbone interact. energy: -1.422
local terms energy: -747.919625
where:
bonds (distance) C4'-P energy: -134.131
bonds (distance) P-C4' energy: -147.677
flat angles C4'-P-C4' energy: -160.684
flat angles P-C4'-P energy: -87.259
tors. eta vs tors. theta energy: -218.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2273.550656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.550656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.550656 (E_RNA)
where:
Base-Base interactions energy: -1562.291
where: short stacking energy: -667.589
Base-Backbone interact. energy: -3.168
local terms energy: -708.091964
where:
bonds (distance) C4'-P energy: -114.031
bonds (distance) P-C4' energy: -147.141
flat angles C4'-P-C4' energy: -155.451
flat angles P-C4'-P energy: -94.008
tors. eta vs tors. theta energy: -197.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2191.723952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.723952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.723952 (E_RNA)
where:
Base-Base interactions energy: -1498.089
where: short stacking energy: -637.488
Base-Backbone interact. energy: 2.148
local terms energy: -695.783266
where:
bonds (distance) C4'-P energy: -124.486
bonds (distance) P-C4' energy: -124.627
flat angles C4'-P-C4' energy: -149.703
flat angles P-C4'-P energy: -110.568
tors. eta vs tors. theta energy: -186.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2099.957499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.957499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.957499 (E_RNA)
where:
Base-Base interactions energy: -1416.696
where: short stacking energy: -633.839
Base-Backbone interact. energy: -1.353
local terms energy: -681.909028
where:
bonds (distance) C4'-P energy: -129.836
bonds (distance) P-C4' energy: -119.979
flat angles C4'-P-C4' energy: -147.516
flat angles P-C4'-P energy: -106.927
tors. eta vs tors. theta energy: -177.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1843.732124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.732124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.732124 (E_RNA)
where:
Base-Base interactions energy: -1239.714
where: short stacking energy: -531.278
Base-Backbone interact. energy: -0.028
local terms energy: -603.989980
where:
bonds (distance) C4'-P energy: -104.551
bonds (distance) P-C4' energy: -138.578
flat angles C4'-P-C4' energy: -129.077
flat angles P-C4'-P energy: -89.630
tors. eta vs tors. theta energy: -142.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1513.749945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.749945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.749945 (E_RNA)
where:
Base-Base interactions energy: -940.992
where: short stacking energy: -445.769
Base-Backbone interact. energy: -2.103
local terms energy: -570.655181
where:
bonds (distance) C4'-P energy: -115.475
bonds (distance) P-C4' energy: -120.517
flat angles C4'-P-C4' energy: -140.759
flat angles P-C4'-P energy: -86.573
tors. eta vs tors. theta energy: -107.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -974.386477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.386477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.386477 (E_RNA)
where:
Base-Base interactions energy: -512.708
where: short stacking energy: -275.208
Base-Backbone interact. energy: 0.408
local terms energy: -462.086106
where:
bonds (distance) C4'-P energy: -133.665
bonds (distance) P-C4' energy: -116.625
flat angles C4'-P-C4' energy: -98.694
flat angles P-C4'-P energy: -81.947
tors. eta vs tors. theta energy: -31.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -861.313423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.313423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.313423 (E_RNA)
where:
Base-Base interactions energy: -427.515
where: short stacking energy: -245.854
Base-Backbone interact. energy: -0.899
local terms energy: -432.899701
where:
bonds (distance) C4'-P energy: -124.673
bonds (distance) P-C4' energy: -115.288
flat angles C4'-P-C4' energy: -113.857
flat angles P-C4'-P energy: -58.277
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2614.148534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.148534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.148534 (E_RNA)
where:
Base-Base interactions energy: -1803.938
where: short stacking energy: -808.116
Base-Backbone interact. energy: -1.724
local terms energy: -808.485908
where:
bonds (distance) C4'-P energy: -134.959
bonds (distance) P-C4' energy: -147.086
flat angles C4'-P-C4' energy: -167.904
flat angles P-C4'-P energy: -121.475
tors. eta vs tors. theta energy: -237.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2524.886699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.886699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.886699 (E_RNA)
where:
Base-Base interactions energy: -1733.915
where: short stacking energy: -747.776
Base-Backbone interact. energy: -1.305
local terms energy: -789.665968
where:
bonds (distance) C4'-P energy: -146.505
bonds (distance) P-C4' energy: -139.260
flat angles C4'-P-C4' energy: -169.685
flat angles P-C4'-P energy: -116.720
tors. eta vs tors. theta energy: -217.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2402.471152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.471152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.471152 (E_RNA)
where:
Base-Base interactions energy: -1656.308
where: short stacking energy: -706.223
Base-Backbone interact. energy: -3.813
local terms energy: -742.349762
where:
bonds (distance) C4'-P energy: -118.478
bonds (distance) P-C4' energy: -152.585
flat angles C4'-P-C4' energy: -164.239
flat angles P-C4'-P energy: -95.456
tors. eta vs tors. theta energy: -211.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2256.222269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.222269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.222269 (E_RNA)
where:
Base-Base interactions energy: -1556.199
where: short stacking energy: -684.002
Base-Backbone interact. energy: -2.807
local terms energy: -697.216408
where:
bonds (distance) C4'-P energy: -131.973
bonds (distance) P-C4' energy: -118.300
flat angles C4'-P-C4' energy: -145.168
flat angles P-C4'-P energy: -96.547
tors. eta vs tors. theta energy: -205.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2178.312031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.312031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.312031 (E_RNA)
where:
Base-Base interactions energy: -1531.069
where: short stacking energy: -626.904
Base-Backbone interact. energy: -2.407
local terms energy: -644.836005
where:
bonds (distance) C4'-P energy: -113.074
bonds (distance) P-C4' energy: -126.051
flat angles C4'-P-C4' energy: -157.605
flat angles P-C4'-P energy: -85.496
tors. eta vs tors. theta energy: -162.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2092.289052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.289052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.289052 (E_RNA)
where:
Base-Base interactions energy: -1419.109
where: short stacking energy: -648.575
Base-Backbone interact. energy: -0.617
local terms energy: -672.562595
where:
bonds (distance) C4'-P energy: -114.564
bonds (distance) P-C4' energy: -133.408
flat angles C4'-P-C4' energy: -145.571
flat angles P-C4'-P energy: -90.473
tors. eta vs tors. theta energy: -188.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1804.759225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.759225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.759225 (E_RNA)
where:
Base-Base interactions energy: -1208.467
where: short stacking energy: -535.020
Base-Backbone interact. energy: 0.670
local terms energy: -596.962266
where:
bonds (distance) C4'-P energy: -113.317
bonds (distance) P-C4' energy: -136.382
flat angles C4'-P-C4' energy: -141.444
flat angles P-C4'-P energy: -75.895
tors. eta vs tors. theta energy: -129.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1413.341389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.341389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.341389 (E_RNA)
where:
Base-Base interactions energy: -912.489
where: short stacking energy: -405.025
Base-Backbone interact. energy: 0.433
local terms energy: -501.284685
where:
bonds (distance) C4'-P energy: -103.588
bonds (distance) P-C4' energy: -128.439
flat angles C4'-P-C4' energy: -119.092
flat angles P-C4'-P energy: -84.272
tors. eta vs tors. theta energy: -65.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -985.581568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.581568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.581568 (E_RNA)
where:
Base-Base interactions energy: -539.775
where: short stacking energy: -282.520
Base-Backbone interact. energy: 0.006
local terms energy: -445.812449
where:
bonds (distance) C4'-P energy: -110.643
bonds (distance) P-C4' energy: -118.372
flat angles C4'-P-C4' energy: -109.413
flat angles P-C4'-P energy: -78.930
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -813.648392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.648392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.648392 (E_RNA)
where:
Base-Base interactions energy: -424.354
where: short stacking energy: -243.807
Base-Backbone interact. energy: 1.388
local terms energy: -390.682993
where:
bonds (distance) C4'-P energy: -120.223
bonds (distance) P-C4' energy: -107.314
flat angles C4'-P-C4' energy: -95.963
flat angles P-C4'-P energy: -65.741
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2603.725271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.725271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.725271 (E_RNA)
where:
Base-Base interactions energy: -1801.419
where: short stacking energy: -800.043
Base-Backbone interact. energy: -0.285
local terms energy: -802.020306
where:
bonds (distance) C4'-P energy: -145.667
bonds (distance) P-C4' energy: -139.329
flat angles C4'-P-C4' energy: -166.987
flat angles P-C4'-P energy: -115.889
tors. eta vs tors. theta energy: -234.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2558.750419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.750419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.750419 (E_RNA)
where:
Base-Base interactions energy: -1767.514
where: short stacking energy: -738.644
Base-Backbone interact. energy: -3.306
local terms energy: -787.930411
where:
bonds (distance) C4'-P energy: -145.448
bonds (distance) P-C4' energy: -146.999
flat angles C4'-P-C4' energy: -162.829
flat angles P-C4'-P energy: -106.004
tors. eta vs tors. theta energy: -226.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2467.232879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.232879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.232879 (E_RNA)
where:
Base-Base interactions energy: -1691.975
where: short stacking energy: -742.207
Base-Backbone interact. energy: -1.474
local terms energy: -773.783870
where:
bonds (distance) C4'-P energy: -146.199
bonds (distance) P-C4' energy: -150.443
flat angles C4'-P-C4' energy: -173.868
flat angles P-C4'-P energy: -97.069
tors. eta vs tors. theta energy: -206.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2291.464586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.464586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.464586 (E_RNA)
where:
Base-Base interactions energy: -1557.630
where: short stacking energy: -698.762
Base-Backbone interact. energy: -2.995
local terms energy: -730.839321
where:
bonds (distance) C4'-P energy: -140.807
bonds (distance) P-C4' energy: -116.982
flat angles C4'-P-C4' energy: -162.671
flat angles P-C4'-P energy: -105.082
tors. eta vs tors. theta energy: -205.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2214.196725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.196725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.196725 (E_RNA)
where:
Base-Base interactions energy: -1515.811
where: short stacking energy: -649.485
Base-Backbone interact. energy: -4.022
local terms energy: -694.364130
where:
bonds (distance) C4'-P energy: -134.891
bonds (distance) P-C4' energy: -134.869
flat angles C4'-P-C4' energy: -143.372
flat angles P-C4'-P energy: -99.206
tors. eta vs tors. theta energy: -182.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -2030.318391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.318391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.318391 (E_RNA)
where:
Base-Base interactions energy: -1349.410
where: short stacking energy: -604.952
Base-Backbone interact. energy: -2.229
local terms energy: -678.678952
where:
bonds (distance) C4'-P energy: -121.678
bonds (distance) P-C4' energy: -129.993
flat angles C4'-P-C4' energy: -159.841
flat angles P-C4'-P energy: -97.759
tors. eta vs tors. theta energy: -169.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1817.334143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.334143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.334143 (E_RNA)
where:
Base-Base interactions energy: -1184.236
where: short stacking energy: -539.947
Base-Backbone interact. energy: -1.448
local terms energy: -631.649585
where:
bonds (distance) C4'-P energy: -119.480
bonds (distance) P-C4' energy: -130.046
flat angles C4'-P-C4' energy: -145.508
flat angles P-C4'-P energy: -86.147
tors. eta vs tors. theta energy: -150.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1467.604284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.604284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.604284 (E_RNA)
where:
Base-Base interactions energy: -972.144
where: short stacking energy: -463.418
Base-Backbone interact. energy: 0.397
local terms energy: -495.856791
where:
bonds (distance) C4'-P energy: -101.987
bonds (distance) P-C4' energy: -117.026
flat angles C4'-P-C4' energy: -106.977
flat angles P-C4'-P energy: -77.685
tors. eta vs tors. theta energy: -92.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -949.197492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.197492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.197492 (E_RNA)
where:
Base-Base interactions energy: -545.565
where: short stacking energy: -257.024
Base-Backbone interact. energy: -2.015
local terms energy: -401.617750
where:
bonds (distance) C4'-P energy: -105.542
bonds (distance) P-C4' energy: -134.907
flat angles C4'-P-C4' energy: -95.041
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -859.619492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.619492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.619492 (E_RNA)
where:
Base-Base interactions energy: -470.370
where: short stacking energy: -251.686
Base-Backbone interact. energy: 3.797
local terms energy: -393.046316
where:
bonds (distance) C4'-P energy: -98.057
bonds (distance) P-C4' energy: -122.445
flat angles C4'-P-C4' energy: -106.753
flat angles P-C4'-P energy: -68.122
tors. eta vs tors. theta energy: 2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2624.096702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.096702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.096702 (E_RNA)
where:
Base-Base interactions energy: -1798.966
where: short stacking energy: -779.134
Base-Backbone interact. energy: 2.931
local terms energy: -828.061283
where:
bonds (distance) C4'-P energy: -140.613
bonds (distance) P-C4' energy: -155.732
flat angles C4'-P-C4' energy: -166.868
flat angles P-C4'-P energy: -115.222
tors. eta vs tors. theta energy: -249.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2522.962885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.962885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.962885 (E_RNA)
where:
Base-Base interactions energy: -1740.650
where: short stacking energy: -760.036
Base-Backbone interact. energy: -3.421
local terms energy: -778.891561
where:
bonds (distance) C4'-P energy: -146.771
bonds (distance) P-C4' energy: -122.455
flat angles C4'-P-C4' energy: -165.308
flat angles P-C4'-P energy: -106.931
tors. eta vs tors. theta energy: -237.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2398.437735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.437735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.437735 (E_RNA)
where:
Base-Base interactions energy: -1663.187
where: short stacking energy: -687.950
Base-Backbone interact. energy: -3.525
local terms energy: -731.725673
where:
bonds (distance) C4'-P energy: -146.961
bonds (distance) P-C4' energy: -122.398
flat angles C4'-P-C4' energy: -166.088
flat angles P-C4'-P energy: -113.738
tors. eta vs tors. theta energy: -182.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2263.408234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.408234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.408234 (E_RNA)
where:
Base-Base interactions energy: -1547.724
where: short stacking energy: -688.748
Base-Backbone interact. energy: -1.620
local terms energy: -714.063620
where:
bonds (distance) C4'-P energy: -124.376
bonds (distance) P-C4' energy: -133.287
flat angles C4'-P-C4' energy: -161.981
flat angles P-C4'-P energy: -94.301
tors. eta vs tors. theta energy: -200.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2213.931200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.931200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.931200 (E_RNA)
where:
Base-Base interactions energy: -1546.785
where: short stacking energy: -651.712
Base-Backbone interact. energy: -1.524
local terms energy: -665.622315
where:
bonds (distance) C4'-P energy: -130.617
bonds (distance) P-C4' energy: -125.299
flat angles C4'-P-C4' energy: -146.849
flat angles P-C4'-P energy: -89.811
tors. eta vs tors. theta energy: -173.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2026.050405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.050405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.050405 (E_RNA)
where:
Base-Base interactions energy: -1363.147
where: short stacking energy: -605.991
Base-Backbone interact. energy: -1.618
local terms energy: -661.285676
where:
bonds (distance) C4'-P energy: -121.217
bonds (distance) P-C4' energy: -127.050
flat angles C4'-P-C4' energy: -138.715
flat angles P-C4'-P energy: -101.040
tors. eta vs tors. theta energy: -173.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1835.842940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.842940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.842940 (E_RNA)
where:
Base-Base interactions energy: -1225.674
where: short stacking energy: -555.798
Base-Backbone interact. energy: -1.790
local terms energy: -608.379379
where:
bonds (distance) C4'-P energy: -115.625
bonds (distance) P-C4' energy: -137.712
flat angles C4'-P-C4' energy: -134.193
flat angles P-C4'-P energy: -83.508
tors. eta vs tors. theta energy: -137.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1454.118728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.118728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.118728 (E_RNA)
where:
Base-Base interactions energy: -898.755
where: short stacking energy: -395.686
Base-Backbone interact. energy: -2.384
local terms energy: -552.980387
where:
bonds (distance) C4'-P energy: -115.083
bonds (distance) P-C4' energy: -154.767
flat angles C4'-P-C4' energy: -143.927
flat angles P-C4'-P energy: -68.339
tors. eta vs tors. theta energy: -70.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -972.954750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.954750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.954750 (E_RNA)
where:
Base-Base interactions energy: -520.865
where: short stacking energy: -294.865
Base-Backbone interact. energy: -0.274
local terms energy: -451.815330
where:
bonds (distance) C4'-P energy: -127.237
bonds (distance) P-C4' energy: -112.912
flat angles C4'-P-C4' energy: -106.683
flat angles P-C4'-P energy: -81.670
tors. eta vs tors. theta energy: -23.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -842.540766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.540766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.540766 (E_RNA)
where:
Base-Base interactions energy: -459.901
where: short stacking energy: -239.765
Base-Backbone interact. energy: -0.529
local terms energy: -382.110718
where:
bonds (distance) C4'-P energy: -105.284
bonds (distance) P-C4' energy: -109.700
flat angles C4'-P-C4' energy: -108.754
flat angles P-C4'-P energy: -58.856
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2624.905660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.905660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.905660 (E_RNA)
where:
Base-Base interactions energy: -1812.364
where: short stacking energy: -793.980
Base-Backbone interact. energy: -4.361
local terms energy: -808.180798
where:
bonds (distance) C4'-P energy: -135.678
bonds (distance) P-C4' energy: -144.429
flat angles C4'-P-C4' energy: -169.954
flat angles P-C4'-P energy: -114.920
tors. eta vs tors. theta energy: -243.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2550.522548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.522548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.522548 (E_RNA)
where:
Base-Base interactions energy: -1769.467
where: short stacking energy: -781.081
Base-Backbone interact. energy: -2.425
local terms energy: -778.630521
where:
bonds (distance) C4'-P energy: -125.160
bonds (distance) P-C4' energy: -137.436
flat angles C4'-P-C4' energy: -171.269
flat angles P-C4'-P energy: -101.735
tors. eta vs tors. theta energy: -243.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2399.523453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.523453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.523453 (E_RNA)
where:
Base-Base interactions energy: -1674.985
where: short stacking energy: -690.375
Base-Backbone interact. energy: -2.351
local terms energy: -722.187351
where:
bonds (distance) C4'-P energy: -148.397
bonds (distance) P-C4' energy: -142.583
flat angles C4'-P-C4' energy: -145.866
flat angles P-C4'-P energy: -104.472
tors. eta vs tors. theta energy: -180.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2278.918181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.918181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.918181 (E_RNA)
where:
Base-Base interactions energy: -1571.196
where: short stacking energy: -671.183
Base-Backbone interact. energy: -0.198
local terms energy: -707.524148
where:
bonds (distance) C4'-P energy: -129.765
bonds (distance) P-C4' energy: -123.536
flat angles C4'-P-C4' energy: -155.518
flat angles P-C4'-P energy: -90.153
tors. eta vs tors. theta energy: -208.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2228.087549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.087549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.087549 (E_RNA)
where:
Base-Base interactions energy: -1548.081
where: short stacking energy: -651.195
Base-Backbone interact. energy: -0.968
local terms energy: -679.038537
where:
bonds (distance) C4'-P energy: -119.429
bonds (distance) P-C4' energy: -127.997
flat angles C4'-P-C4' energy: -157.617
flat angles P-C4'-P energy: -98.147
tors. eta vs tors. theta energy: -175.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2025.171595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.171595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.171595 (E_RNA)
where:
Base-Base interactions energy: -1385.957
where: short stacking energy: -615.586
Base-Backbone interact. energy: 1.651
local terms energy: -640.865489
where:
bonds (distance) C4'-P energy: -129.782
bonds (distance) P-C4' energy: -138.122
flat angles C4'-P-C4' energy: -131.958
flat angles P-C4'-P energy: -77.606
tors. eta vs tors. theta energy: -163.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1835.806723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.806723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.806723 (E_RNA)
where:
Base-Base interactions energy: -1219.164
where: short stacking energy: -544.357
Base-Backbone interact. energy: 0.803
local terms energy: -617.446259
where:
bonds (distance) C4'-P energy: -113.130
bonds (distance) P-C4' energy: -131.729
flat angles C4'-P-C4' energy: -125.704
flat angles P-C4'-P energy: -98.460
tors. eta vs tors. theta energy: -148.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1398.871902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.871902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.871902 (E_RNA)
where:
Base-Base interactions energy: -870.458
where: short stacking energy: -420.990
Base-Backbone interact. energy: -1.433
local terms energy: -526.981469
where:
bonds (distance) C4'-P energy: -117.229
bonds (distance) P-C4' energy: -118.508
flat angles C4'-P-C4' energy: -123.642
flat angles P-C4'-P energy: -83.109
tors. eta vs tors. theta energy: -84.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -963.085814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.085814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.085814 (E_RNA)
where:
Base-Base interactions energy: -513.805
where: short stacking energy: -272.325
Base-Backbone interact. energy: 1.772
local terms energy: -451.052571
where:
bonds (distance) C4'-P energy: -100.044
bonds (distance) P-C4' energy: -144.510
flat angles C4'-P-C4' energy: -122.528
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -32.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -857.054907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.054907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.054907 (E_RNA)
where:
Base-Base interactions energy: -424.446
where: short stacking energy: -216.365
Base-Backbone interact. energy: -0.622
local terms energy: -431.986876
where:
bonds (distance) C4'-P energy: -116.564
bonds (distance) P-C4' energy: -134.383
flat angles C4'-P-C4' energy: -105.513
flat angles P-C4'-P energy: -68.171
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2630.519688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.519688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.519688 (E_RNA)
where:
Base-Base interactions energy: -1788.600
where: short stacking energy: -787.344
Base-Backbone interact. energy: -2.338
local terms energy: -839.581313
where:
bonds (distance) C4'-P energy: -145.655
bonds (distance) P-C4' energy: -147.125
flat angles C4'-P-C4' energy: -170.794
flat angles P-C4'-P energy: -123.852
tors. eta vs tors. theta energy: -252.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2552.540004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.540004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.540004 (E_RNA)
where:
Base-Base interactions energy: -1767.820
where: short stacking energy: -742.021
Base-Backbone interact. energy: -3.022
local terms energy: -781.698478
where:
bonds (distance) C4'-P energy: -141.875
bonds (distance) P-C4' energy: -115.193
flat angles C4'-P-C4' energy: -171.804
flat angles P-C4'-P energy: -121.070
tors. eta vs tors. theta energy: -231.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2404.050419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.050419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.050419 (E_RNA)
where:
Base-Base interactions energy: -1655.923
where: short stacking energy: -686.820
Base-Backbone interact. energy: -0.353
local terms energy: -747.773824
where:
bonds (distance) C4'-P energy: -146.246
bonds (distance) P-C4' energy: -145.503
flat angles C4'-P-C4' energy: -153.317
flat angles P-C4'-P energy: -104.646
tors. eta vs tors. theta energy: -198.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2254.382461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.382461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.382461 (E_RNA)
where:
Base-Base interactions energy: -1552.850
where: short stacking energy: -680.736
Base-Backbone interact. energy: 0.016
local terms energy: -701.548599
where:
bonds (distance) C4'-P energy: -126.629
bonds (distance) P-C4' energy: -121.615
flat angles C4'-P-C4' energy: -151.077
flat angles P-C4'-P energy: -97.743
tors. eta vs tors. theta energy: -204.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2182.277191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.277191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.277191 (E_RNA)
where:
Base-Base interactions energy: -1524.045
where: short stacking energy: -640.010
Base-Backbone interact. energy: -0.512
local terms energy: -657.720398
where:
bonds (distance) C4'-P energy: -134.453
bonds (distance) P-C4' energy: -121.420
flat angles C4'-P-C4' energy: -149.191
flat angles P-C4'-P energy: -87.021
tors. eta vs tors. theta energy: -165.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -2033.094013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.094013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.094013 (E_RNA)
where:
Base-Base interactions energy: -1348.698
where: short stacking energy: -581.428
Base-Backbone interact. energy: -1.300
local terms energy: -683.096524
where:
bonds (distance) C4'-P energy: -133.068
bonds (distance) P-C4' energy: -140.118
flat angles C4'-P-C4' energy: -152.752
flat angles P-C4'-P energy: -93.314
tors. eta vs tors. theta energy: -163.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1813.518232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.518232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.518232 (E_RNA)
where:
Base-Base interactions energy: -1203.445
where: short stacking energy: -529.712
Base-Backbone interact. energy: -0.959
local terms energy: -609.114220
where:
bonds (distance) C4'-P energy: -113.875
bonds (distance) P-C4' energy: -119.985
flat angles C4'-P-C4' energy: -142.396
flat angles P-C4'-P energy: -96.866
tors. eta vs tors. theta energy: -135.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1337.450034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.450034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.450034 (E_RNA)
where:
Base-Base interactions energy: -830.058
where: short stacking energy: -410.817
Base-Backbone interact. energy: -0.256
local terms energy: -507.135916
where:
bonds (distance) C4'-P energy: -124.484
bonds (distance) P-C4' energy: -120.148
flat angles C4'-P-C4' energy: -101.493
flat angles P-C4'-P energy: -88.904
tors. eta vs tors. theta energy: -72.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -965.213862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.213862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.213862 (E_RNA)
where:
Base-Base interactions energy: -535.731
where: short stacking energy: -274.960
Base-Backbone interact. energy: 1.911
local terms energy: -431.394241
where:
bonds (distance) C4'-P energy: -114.528
bonds (distance) P-C4' energy: -122.453
flat angles C4'-P-C4' energy: -112.263
flat angles P-C4'-P energy: -68.170
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -855.242533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.242533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.242533 (E_RNA)
where:
Base-Base interactions energy: -450.596
where: short stacking energy: -231.213
Base-Backbone interact. energy: 1.934
local terms energy: -406.580348
where:
bonds (distance) C4'-P energy: -114.482
bonds (distance) P-C4' energy: -117.691
flat angles C4'-P-C4' energy: -122.329
flat angles P-C4'-P energy: -49.470
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2626.279458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.279458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.279458 (E_RNA)
where:
Base-Base interactions energy: -1790.440
where: short stacking energy: -786.551
Base-Backbone interact. energy: -1.422
local terms energy: -834.417362
where:
bonds (distance) C4'-P energy: -157.289
bonds (distance) P-C4' energy: -155.442
flat angles C4'-P-C4' energy: -168.587
flat angles P-C4'-P energy: -115.560
tors. eta vs tors. theta energy: -237.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2527.325833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.325833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.325833 (E_RNA)
where:
Base-Base interactions energy: -1767.061
where: short stacking energy: -765.906
Base-Backbone interact. energy: -0.758
local terms energy: -759.506540
where:
bonds (distance) C4'-P energy: -127.989
bonds (distance) P-C4' energy: -133.967
flat angles C4'-P-C4' energy: -163.269
flat angles P-C4'-P energy: -111.915
tors. eta vs tors. theta energy: -222.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2364.327956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.327956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.327956 (E_RNA)
where:
Base-Base interactions energy: -1631.320
where: short stacking energy: -695.731
Base-Backbone interact. energy: 1.061
local terms energy: -734.068997
where:
bonds (distance) C4'-P energy: -141.306
bonds (distance) P-C4' energy: -146.617
flat angles C4'-P-C4' energy: -158.097
flat angles P-C4'-P energy: -95.746
tors. eta vs tors. theta energy: -192.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2335.822814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.822814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.822814 (E_RNA)
where:
Base-Base interactions energy: -1589.592
where: short stacking energy: -723.006
Base-Backbone interact. energy: -2.310
local terms energy: -743.920795
where:
bonds (distance) C4'-P energy: -125.737
bonds (distance) P-C4' energy: -135.327
flat angles C4'-P-C4' energy: -163.469
flat angles P-C4'-P energy: -108.168
tors. eta vs tors. theta energy: -211.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2148.473860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.473860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.473860 (E_RNA)
where:
Base-Base interactions energy: -1496.929
where: short stacking energy: -634.202
Base-Backbone interact. energy: 1.087
local terms energy: -652.631750
where:
bonds (distance) C4'-P energy: -123.914
bonds (distance) P-C4' energy: -116.066
flat angles C4'-P-C4' energy: -147.708
flat angles P-C4'-P energy: -94.104
tors. eta vs tors. theta energy: -170.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1992.517151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.517151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.517151 (E_RNA)
where:
Base-Base interactions energy: -1335.153
where: short stacking energy: -586.211
Base-Backbone interact. energy: 1.603
local terms energy: -658.966902
where:
bonds (distance) C4'-P energy: -131.018
bonds (distance) P-C4' energy: -136.648
flat angles C4'-P-C4' energy: -147.569
flat angles P-C4'-P energy: -94.201
tors. eta vs tors. theta energy: -149.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1841.203602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.203602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.203602 (E_RNA)
where:
Base-Base interactions energy: -1216.018
where: short stacking energy: -571.533
Base-Backbone interact. energy: -1.368
local terms energy: -623.817508
where:
bonds (distance) C4'-P energy: -126.171
bonds (distance) P-C4' energy: -134.469
flat angles C4'-P-C4' energy: -137.136
flat angles P-C4'-P energy: -80.077
tors. eta vs tors. theta energy: -145.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1274.075710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.075710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.075710 (E_RNA)
where:
Base-Base interactions energy: -777.176
where: short stacking energy: -364.189
Base-Backbone interact. energy: 3.125
local terms energy: -500.024613
where:
bonds (distance) C4'-P energy: -120.300
bonds (distance) P-C4' energy: -112.001
flat angles C4'-P-C4' energy: -115.644
flat angles P-C4'-P energy: -87.817
tors. eta vs tors. theta energy: -64.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1036.484017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.484017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.484017 (E_RNA)
where:
Base-Base interactions energy: -558.118
where: short stacking energy: -303.820
Base-Backbone interact. energy: -0.185
local terms energy: -478.180829
where:
bonds (distance) C4'-P energy: -109.204
bonds (distance) P-C4' energy: -124.204
flat angles C4'-P-C4' energy: -124.535
flat angles P-C4'-P energy: -76.848
tors. eta vs tors. theta energy: -43.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -803.802025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.802025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.802025 (E_RNA)
where:
Base-Base interactions energy: -402.923
where: short stacking energy: -238.945
Base-Backbone interact. energy: 1.488
local terms energy: -402.367491
where:
bonds (distance) C4'-P energy: -104.573
bonds (distance) P-C4' energy: -114.616
flat angles C4'-P-C4' energy: -107.652
flat angles P-C4'-P energy: -57.340
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2615.075234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.075234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.075234 (E_RNA)
where:
Base-Base interactions energy: -1785.431
where: short stacking energy: -807.999
Base-Backbone interact. energy: -1.021
local terms energy: -828.623209
where:
bonds (distance) C4'-P energy: -155.308
bonds (distance) P-C4' energy: -143.411
flat angles C4'-P-C4' energy: -168.256
flat angles P-C4'-P energy: -113.494
tors. eta vs tors. theta energy: -248.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2565.144126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.144126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.144126 (E_RNA)
where:
Base-Base interactions energy: -1740.609
where: short stacking energy: -758.175
Base-Backbone interact. energy: -1.192
local terms energy: -823.343338
where:
bonds (distance) C4'-P energy: -140.365
bonds (distance) P-C4' energy: -155.414
flat angles C4'-P-C4' energy: -169.426
flat angles P-C4'-P energy: -123.197
tors. eta vs tors. theta energy: -234.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2346.674393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.674393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.674393 (E_RNA)
where:
Base-Base interactions energy: -1598.479
where: short stacking energy: -660.086
Base-Backbone interact. energy: -0.804
local terms energy: -747.391271
where:
bonds (distance) C4'-P energy: -143.297
bonds (distance) P-C4' energy: -146.242
flat angles C4'-P-C4' energy: -156.926
flat angles P-C4'-P energy: -111.244
tors. eta vs tors. theta energy: -189.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2327.370993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.370993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.370993 (E_RNA)
where:
Base-Base interactions energy: -1591.465
where: short stacking energy: -690.129
Base-Backbone interact. energy: -4.415
local terms energy: -731.490906
where:
bonds (distance) C4'-P energy: -135.315
bonds (distance) P-C4' energy: -136.080
flat angles C4'-P-C4' energy: -158.148
flat angles P-C4'-P energy: -93.750
tors. eta vs tors. theta energy: -208.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2092.756733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.756733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.756733 (E_RNA)
where:
Base-Base interactions energy: -1452.215
where: short stacking energy: -611.834
Base-Backbone interact. energy: -1.539
local terms energy: -639.002296
where:
bonds (distance) C4'-P energy: -118.007
bonds (distance) P-C4' energy: -121.866
flat angles C4'-P-C4' energy: -148.476
flat angles P-C4'-P energy: -80.510
tors. eta vs tors. theta energy: -170.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2027.061303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.061303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.061303 (E_RNA)
where:
Base-Base interactions energy: -1347.313
where: short stacking energy: -603.036
Base-Backbone interact. energy: -2.731
local terms energy: -677.016417
where:
bonds (distance) C4'-P energy: -137.098
bonds (distance) P-C4' energy: -137.284
flat angles C4'-P-C4' energy: -149.825
flat angles P-C4'-P energy: -96.792
tors. eta vs tors. theta energy: -156.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1779.634675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.634675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.634675 (E_RNA)
where:
Base-Base interactions energy: -1140.544
where: short stacking energy: -534.624
Base-Backbone interact. energy: -3.042
local terms energy: -636.049515
where:
bonds (distance) C4'-P energy: -130.953
bonds (distance) P-C4' energy: -125.530
flat angles C4'-P-C4' energy: -141.692
flat angles P-C4'-P energy: -92.656
tors. eta vs tors. theta energy: -145.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1206.440058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.440058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.440058 (E_RNA)
where:
Base-Base interactions energy: -759.288
where: short stacking energy: -373.147
Base-Backbone interact. energy: -2.597
local terms energy: -444.555405
where:
bonds (distance) C4'-P energy: -104.546
bonds (distance) P-C4' energy: -95.561
flat angles C4'-P-C4' energy: -105.985
flat angles P-C4'-P energy: -59.410
tors. eta vs tors. theta energy: -79.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1009.575338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.575338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.575338 (E_RNA)
where:
Base-Base interactions energy: -536.934
where: short stacking energy: -280.579
Base-Backbone interact. energy: -4.232
local terms energy: -468.409172
where:
bonds (distance) C4'-P energy: -124.650
bonds (distance) P-C4' energy: -119.970
flat angles C4'-P-C4' energy: -125.779
flat angles P-C4'-P energy: -80.335
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -830.106767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.106767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.106767 (E_RNA)
where:
Base-Base interactions energy: -431.297
where: short stacking energy: -255.902
Base-Backbone interact. energy: 1.650
local terms energy: -400.459804
where:
bonds (distance) C4'-P energy: -103.569
bonds (distance) P-C4' energy: -126.034
flat angles C4'-P-C4' energy: -110.717
flat angles P-C4'-P energy: -58.457
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2631.551472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.551472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.551472 (E_RNA)
where:
Base-Base interactions energy: -1794.707
where: short stacking energy: -783.899
Base-Backbone interact. energy: -2.554
local terms energy: -834.290221
where:
bonds (distance) C4'-P energy: -152.185
bonds (distance) P-C4' energy: -146.643
flat angles C4'-P-C4' energy: -167.557
flat angles P-C4'-P energy: -118.047
tors. eta vs tors. theta energy: -249.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2530.745595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.745595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.745595 (E_RNA)
where:
Base-Base interactions energy: -1753.976
where: short stacking energy: -747.377
Base-Backbone interact. energy: -1.946
local terms energy: -774.824048
where:
bonds (distance) C4'-P energy: -137.935
bonds (distance) P-C4' energy: -138.212
flat angles C4'-P-C4' energy: -147.725
flat angles P-C4'-P energy: -116.249
tors. eta vs tors. theta energy: -234.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2326.158731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.158731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.158731 (E_RNA)
where:
Base-Base interactions energy: -1614.573
where: short stacking energy: -691.526
Base-Backbone interact. energy: -2.710
local terms energy: -708.875057
where:
bonds (distance) C4'-P energy: -135.769
bonds (distance) P-C4' energy: -135.583
flat angles C4'-P-C4' energy: -151.947
flat angles P-C4'-P energy: -106.480
tors. eta vs tors. theta energy: -179.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2349.751175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.751175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.751175 (E_RNA)
where:
Base-Base interactions energy: -1611.274
where: short stacking energy: -701.976
Base-Backbone interact. energy: 1.715
local terms energy: -740.191717
where:
bonds (distance) C4'-P energy: -137.325
bonds (distance) P-C4' energy: -138.493
flat angles C4'-P-C4' energy: -153.535
flat angles P-C4'-P energy: -99.456
tors. eta vs tors. theta energy: -211.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2115.538420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.538420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.538420 (E_RNA)
where:
Base-Base interactions energy: -1470.819
where: short stacking energy: -600.239
Base-Backbone interact. energy: -0.575
local terms energy: -644.144367
where:
bonds (distance) C4'-P energy: -134.310
bonds (distance) P-C4' energy: -123.416
flat angles C4'-P-C4' energy: -139.600
flat angles P-C4'-P energy: -88.612
tors. eta vs tors. theta energy: -158.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2001.343016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.343016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.343016 (E_RNA)
where:
Base-Base interactions energy: -1363.929
where: short stacking energy: -585.802
Base-Backbone interact. energy: -1.401
local terms energy: -636.013262
where:
bonds (distance) C4'-P energy: -119.512
bonds (distance) P-C4' energy: -130.636
flat angles C4'-P-C4' energy: -132.989
flat angles P-C4'-P energy: -91.682
tors. eta vs tors. theta energy: -161.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1830.275298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.275298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.275298 (E_RNA)
where:
Base-Base interactions energy: -1247.765
where: short stacking energy: -552.360
Base-Backbone interact. energy: -2.701
local terms energy: -579.808932
where:
bonds (distance) C4'-P energy: -98.782
bonds (distance) P-C4' energy: -135.623
flat angles C4'-P-C4' energy: -129.090
flat angles P-C4'-P energy: -74.207
tors. eta vs tors. theta energy: -142.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1232.081758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.081758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.081758 (E_RNA)
where:
Base-Base interactions energy: -742.606
where: short stacking energy: -371.205
Base-Backbone interact. energy: 2.669
local terms energy: -492.145150
where:
bonds (distance) C4'-P energy: -119.461
bonds (distance) P-C4' energy: -112.473
flat angles C4'-P-C4' energy: -117.891
flat angles P-C4'-P energy: -82.369
tors. eta vs tors. theta energy: -59.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1044.680355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.680355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.680355 (E_RNA)
where:
Base-Base interactions energy: -591.436
where: short stacking energy: -302.293
Base-Backbone interact. energy: -1.588
local terms energy: -451.656425
where:
bonds (distance) C4'-P energy: -127.380
bonds (distance) P-C4' energy: -118.132
flat angles C4'-P-C4' energy: -116.534
flat angles P-C4'-P energy: -60.901
tors. eta vs tors. theta energy: -28.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -862.393638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.393638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.393638 (E_RNA)
where:
Base-Base interactions energy: -450.917
where: short stacking energy: -243.698
Base-Backbone interact. energy: -0.246
local terms energy: -411.231314
where:
bonds (distance) C4'-P energy: -109.381
bonds (distance) P-C4' energy: -122.184
flat angles C4'-P-C4' energy: -100.830
flat angles P-C4'-P energy: -61.599
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2652.428719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.428719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.428719 (E_RNA)
where:
Base-Base interactions energy: -1831.584
where: short stacking energy: -802.996
Base-Backbone interact. energy: -2.525
local terms energy: -818.319782
where:
bonds (distance) C4'-P energy: -144.569
bonds (distance) P-C4' energy: -160.523
flat angles C4'-P-C4' energy: -173.101
flat angles P-C4'-P energy: -107.149
tors. eta vs tors. theta energy: -232.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2539.611231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.611231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.611231 (E_RNA)
where:
Base-Base interactions energy: -1734.427
where: short stacking energy: -757.669
Base-Backbone interact. energy: -3.110
local terms energy: -802.074612
where:
bonds (distance) C4'-P energy: -126.170
bonds (distance) P-C4' energy: -144.601
flat angles C4'-P-C4' energy: -165.534
flat angles P-C4'-P energy: -127.764
tors. eta vs tors. theta energy: -238.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2384.727973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.727973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.727973 (E_RNA)
where:
Base-Base interactions energy: -1618.569
where: short stacking energy: -738.863
Base-Backbone interact. energy: 1.592
local terms energy: -767.751081
where:
bonds (distance) C4'-P energy: -144.611
bonds (distance) P-C4' energy: -126.707
flat angles C4'-P-C4' energy: -158.420
flat angles P-C4'-P energy: -115.057
tors. eta vs tors. theta energy: -222.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2362.696515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.696515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.696515 (E_RNA)
where:
Base-Base interactions energy: -1639.381
where: short stacking energy: -701.042
Base-Backbone interact. energy: -0.988
local terms energy: -722.327462
where:
bonds (distance) C4'-P energy: -128.194
bonds (distance) P-C4' energy: -137.775
flat angles C4'-P-C4' energy: -154.494
flat angles P-C4'-P energy: -91.699
tors. eta vs tors. theta energy: -210.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2121.640802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.640802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.640802 (E_RNA)
where:
Base-Base interactions energy: -1482.285
where: short stacking energy: -638.570
Base-Backbone interact. energy: -2.266
local terms energy: -637.090206
where:
bonds (distance) C4'-P energy: -104.602
bonds (distance) P-C4' energy: -132.129
flat angles C4'-P-C4' energy: -134.276
flat angles P-C4'-P energy: -86.942
tors. eta vs tors. theta energy: -179.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2052.499304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.499304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.499304 (E_RNA)
where:
Base-Base interactions energy: -1394.274
where: short stacking energy: -610.786
Base-Backbone interact. energy: -2.526
local terms energy: -655.699480
where:
bonds (distance) C4'-P energy: -124.469
bonds (distance) P-C4' energy: -131.899
flat angles C4'-P-C4' energy: -132.470
flat angles P-C4'-P energy: -101.386
tors. eta vs tors. theta energy: -165.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1818.165637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.165637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.165637 (E_RNA)
where:
Base-Base interactions energy: -1206.721
where: short stacking energy: -514.957
Base-Backbone interact. energy: -0.975
local terms energy: -610.469673
where:
bonds (distance) C4'-P energy: -124.779
bonds (distance) P-C4' energy: -138.892
flat angles C4'-P-C4' energy: -131.435
flat angles P-C4'-P energy: -84.919
tors. eta vs tors. theta energy: -130.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1239.727916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.727916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.727916 (E_RNA)
where:
Base-Base interactions energy: -734.363
where: short stacking energy: -346.983
Base-Backbone interact. energy: 2.978
local terms energy: -508.343250
where:
bonds (distance) C4'-P energy: -108.567
bonds (distance) P-C4' energy: -128.902
flat angles C4'-P-C4' energy: -118.739
flat angles P-C4'-P energy: -95.284
tors. eta vs tors. theta energy: -56.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1048.962916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.962916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.962916 (E_RNA)
where:
Base-Base interactions energy: -608.298
where: short stacking energy: -308.408
Base-Backbone interact. energy: -1.204
local terms energy: -439.460172
where:
bonds (distance) C4'-P energy: -110.610
bonds (distance) P-C4' energy: -130.935
flat angles C4'-P-C4' energy: -107.825
flat angles P-C4'-P energy: -69.191
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -849.175518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.175518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.175518 (E_RNA)
where:
Base-Base interactions energy: -435.590
where: short stacking energy: -215.149
Base-Backbone interact. energy: -2.799
local terms energy: -410.786743
where:
bonds (distance) C4'-P energy: -136.405
bonds (distance) P-C4' energy: -119.973
flat angles C4'-P-C4' energy: -110.884
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: 7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2671.132323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.132323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.132323 (E_RNA)
where:
Base-Base interactions energy: -1836.317
where: short stacking energy: -798.175
Base-Backbone interact. energy: -0.945
local terms energy: -833.870873
where:
bonds (distance) C4'-P energy: -144.570
bonds (distance) P-C4' energy: -154.687
flat angles C4'-P-C4' energy: -167.850
flat angles P-C4'-P energy: -112.503
tors. eta vs tors. theta energy: -254.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2523.446137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.446137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.446137 (E_RNA)
where:
Base-Base interactions energy: -1728.706
where: short stacking energy: -727.889
Base-Backbone interact. energy: 1.774
local terms energy: -796.513605
where:
bonds (distance) C4'-P energy: -146.319
bonds (distance) P-C4' energy: -149.973
flat angles C4'-P-C4' energy: -162.872
flat angles P-C4'-P energy: -111.347
tors. eta vs tors. theta energy: -226.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2373.769563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.769563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.769563 (E_RNA)
where:
Base-Base interactions energy: -1620.372
where: short stacking energy: -705.096
Base-Backbone interact. energy: -2.815
local terms energy: -750.582782
where:
bonds (distance) C4'-P energy: -140.151
bonds (distance) P-C4' energy: -137.876
flat angles C4'-P-C4' energy: -152.780
flat angles P-C4'-P energy: -115.091
tors. eta vs tors. theta energy: -204.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2274.753892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.753892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.753892 (E_RNA)
where:
Base-Base interactions energy: -1579.889
where: short stacking energy: -673.111
Base-Backbone interact. energy: -4.544
local terms energy: -690.320146
where:
bonds (distance) C4'-P energy: -126.299
bonds (distance) P-C4' energy: -131.527
flat angles C4'-P-C4' energy: -151.057
flat angles P-C4'-P energy: -101.187
tors. eta vs tors. theta energy: -180.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2128.717235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.717235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.717235 (E_RNA)
where:
Base-Base interactions energy: -1463.759
where: short stacking energy: -617.384
Base-Backbone interact. energy: -3.216
local terms energy: -661.742243
where:
bonds (distance) C4'-P energy: -123.840
bonds (distance) P-C4' energy: -124.187
flat angles C4'-P-C4' energy: -150.401
flat angles P-C4'-P energy: -105.423
tors. eta vs tors. theta energy: -157.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -2041.164242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.164242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.164242 (E_RNA)
where:
Base-Base interactions energy: -1412.313
where: short stacking energy: -609.020
Base-Backbone interact. energy: -1.589
local terms energy: -627.262245
where:
bonds (distance) C4'-P energy: -113.184
bonds (distance) P-C4' energy: -130.043
flat angles C4'-P-C4' energy: -139.415
flat angles P-C4'-P energy: -88.099
tors. eta vs tors. theta energy: -156.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1760.065092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.065092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.065092 (E_RNA)
where:
Base-Base interactions energy: -1159.227
where: short stacking energy: -525.484
Base-Backbone interact. energy: -1.445
local terms energy: -599.393051
where:
bonds (distance) C4'-P energy: -120.287
bonds (distance) P-C4' energy: -117.901
flat angles C4'-P-C4' energy: -128.978
flat angles P-C4'-P energy: -97.465
tors. eta vs tors. theta energy: -134.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1262.816906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.816906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.816906 (E_RNA)
where:
Base-Base interactions energy: -793.894
where: short stacking energy: -386.663
Base-Backbone interact. energy: -3.623
local terms energy: -465.299840
where:
bonds (distance) C4'-P energy: -120.437
bonds (distance) P-C4' energy: -125.622
flat angles C4'-P-C4' energy: -106.042
flat angles P-C4'-P energy: -62.338
tors. eta vs tors. theta energy: -50.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1059.545904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.545904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.545904 (E_RNA)
where:
Base-Base interactions energy: -626.328
where: short stacking energy: -308.446
Base-Backbone interact. energy: 3.136
local terms energy: -436.353804
where:
bonds (distance) C4'-P energy: -86.085
bonds (distance) P-C4' energy: -121.853
flat angles C4'-P-C4' energy: -124.118
flat angles P-C4'-P energy: -67.882
tors. eta vs tors. theta energy: -36.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -855.682542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.682542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.682542 (E_RNA)
where:
Base-Base interactions energy: -442.807
where: short stacking energy: -237.377
Base-Backbone interact. energy: 1.638
local terms energy: -414.514187
where:
bonds (distance) C4'-P energy: -119.732
bonds (distance) P-C4' energy: -126.162
flat angles C4'-P-C4' energy: -81.566
flat angles P-C4'-P energy: -71.384
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2677.260498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.260498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.260498 (E_RNA)
where:
Base-Base interactions energy: -1822.403
where: short stacking energy: -817.250
Base-Backbone interact. energy: -4.501
local terms energy: -850.356977
where:
bonds (distance) C4'-P energy: -166.667
bonds (distance) P-C4' energy: -141.559
flat angles C4'-P-C4' energy: -177.138
flat angles P-C4'-P energy: -113.043
tors. eta vs tors. theta energy: -251.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2524.420488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.420488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.420488 (E_RNA)
where:
Base-Base interactions energy: -1751.275
where: short stacking energy: -733.071
Base-Backbone interact. energy: -2.490
local terms energy: -770.656091
where:
bonds (distance) C4'-P energy: -142.415
bonds (distance) P-C4' energy: -133.920
flat angles C4'-P-C4' energy: -166.384
flat angles P-C4'-P energy: -105.194
tors. eta vs tors. theta energy: -222.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2374.399806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.399806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.399806 (E_RNA)
where:
Base-Base interactions energy: -1650.432
where: short stacking energy: -716.468
Base-Backbone interact. energy: -1.964
local terms energy: -722.004055
where:
bonds (distance) C4'-P energy: -129.450
bonds (distance) P-C4' energy: -144.992
flat angles C4'-P-C4' energy: -149.038
flat angles P-C4'-P energy: -103.571
tors. eta vs tors. theta energy: -194.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2270.892106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.892106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.892106 (E_RNA)
where:
Base-Base interactions energy: -1581.714
where: short stacking energy: -684.344
Base-Backbone interact. energy: -2.407
local terms energy: -686.771458
where:
bonds (distance) C4'-P energy: -111.761
bonds (distance) P-C4' energy: -121.258
flat angles C4'-P-C4' energy: -158.006
flat angles P-C4'-P energy: -95.347
tors. eta vs tors. theta energy: -200.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2125.358106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.358106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.358106 (E_RNA)
where:
Base-Base interactions energy: -1477.438
where: short stacking energy: -600.394
Base-Backbone interact. energy: -1.456
local terms energy: -646.463867
where:
bonds (distance) C4'-P energy: -131.913
bonds (distance) P-C4' energy: -123.220
flat angles C4'-P-C4' energy: -137.384
flat angles P-C4'-P energy: -91.993
tors. eta vs tors. theta energy: -161.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2004.026891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.026891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.026891 (E_RNA)
where:
Base-Base interactions energy: -1368.353
where: short stacking energy: -587.323
Base-Backbone interact. energy: -1.428
local terms energy: -634.246283
where:
bonds (distance) C4'-P energy: -118.657
bonds (distance) P-C4' energy: -114.493
flat angles C4'-P-C4' energy: -143.027
flat angles P-C4'-P energy: -97.806
tors. eta vs tors. theta energy: -160.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1796.009248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.009248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.009248 (E_RNA)
where:
Base-Base interactions energy: -1198.727
where: short stacking energy: -550.081
Base-Backbone interact. energy: -0.608
local terms energy: -596.674133
where:
bonds (distance) C4'-P energy: -105.842
bonds (distance) P-C4' energy: -123.408
flat angles C4'-P-C4' energy: -132.504
flat angles P-C4'-P energy: -96.222
tors. eta vs tors. theta energy: -138.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1268.751717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.751717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.751717 (E_RNA)
where:
Base-Base interactions energy: -725.314
where: short stacking energy: -347.493
Base-Backbone interact. energy: -3.753
local terms energy: -539.684686
where:
bonds (distance) C4'-P energy: -116.650
bonds (distance) P-C4' energy: -149.107
flat angles C4'-P-C4' energy: -134.476
flat angles P-C4'-P energy: -77.032
tors. eta vs tors. theta energy: -62.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1013.139828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.139828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.139828 (E_RNA)
where:
Base-Base interactions energy: -539.130
where: short stacking energy: -289.844
Base-Backbone interact. energy: -1.605
local terms energy: -472.404658
where:
bonds (distance) C4'-P energy: -116.691
bonds (distance) P-C4' energy: -130.194
flat angles C4'-P-C4' energy: -101.628
flat angles P-C4'-P energy: -79.749
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -914.836991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.836991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.836991 (E_RNA)
where:
Base-Base interactions energy: -500.897
where: short stacking energy: -250.074
Base-Backbone interact. energy: -2.253
local terms energy: -411.687418
where:
bonds (distance) C4'-P energy: -109.163
bonds (distance) P-C4' energy: -122.621
flat angles C4'-P-C4' energy: -118.810
flat angles P-C4'-P energy: -64.421
tors. eta vs tors. theta energy: 3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2650.700394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.700394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.700394 (E_RNA)
where:
Base-Base interactions energy: -1828.090
where: short stacking energy: -781.011
Base-Backbone interact. energy: -4.332
local terms energy: -818.278706
where:
bonds (distance) C4'-P energy: -146.929
bonds (distance) P-C4' energy: -136.327
flat angles C4'-P-C4' energy: -163.266
flat angles P-C4'-P energy: -121.513
tors. eta vs tors. theta energy: -250.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2557.099653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.099653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.099653 (E_RNA)
where:
Base-Base interactions energy: -1746.016
where: short stacking energy: -744.734
Base-Backbone interact. energy: 0.181
local terms energy: -811.264385
where:
bonds (distance) C4'-P energy: -140.991
bonds (distance) P-C4' energy: -154.022
flat angles C4'-P-C4' energy: -160.833
flat angles P-C4'-P energy: -123.277
tors. eta vs tors. theta energy: -232.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2339.646201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.646201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.646201 (E_RNA)
where:
Base-Base interactions energy: -1626.413
where: short stacking energy: -681.639
Base-Backbone interact. energy: -4.782
local terms energy: -708.451819
where:
bonds (distance) C4'-P energy: -131.233
bonds (distance) P-C4' energy: -136.482
flat angles C4'-P-C4' energy: -156.828
flat angles P-C4'-P energy: -96.727
tors. eta vs tors. theta energy: -187.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2269.806854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.806854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.806854 (E_RNA)
where:
Base-Base interactions energy: -1543.507
where: short stacking energy: -683.109
Base-Backbone interact. energy: -2.627
local terms energy: -723.673262
where:
bonds (distance) C4'-P energy: -128.425
bonds (distance) P-C4' energy: -134.083
flat angles C4'-P-C4' energy: -158.239
flat angles P-C4'-P energy: -98.644
tors. eta vs tors. theta energy: -204.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2075.134521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.134521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.134521 (E_RNA)
where:
Base-Base interactions energy: -1424.608
where: short stacking energy: -589.267
Base-Backbone interact. energy: -1.789
local terms energy: -648.737651
where:
bonds (distance) C4'-P energy: -112.952
bonds (distance) P-C4' energy: -139.414
flat angles C4'-P-C4' energy: -139.289
flat angles P-C4'-P energy: -95.918
tors. eta vs tors. theta energy: -161.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2081.759192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.759192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.759192 (E_RNA)
where:
Base-Base interactions energy: -1430.766
where: short stacking energy: -633.490
Base-Backbone interact. energy: -2.781
local terms energy: -648.212821
where:
bonds (distance) C4'-P energy: -126.811
bonds (distance) P-C4' energy: -137.575
flat angles C4'-P-C4' energy: -140.166
flat angles P-C4'-P energy: -76.719
tors. eta vs tors. theta energy: -166.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1862.848711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.848711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.848711 (E_RNA)
where:
Base-Base interactions energy: -1253.711
where: short stacking energy: -538.065
Base-Backbone interact. energy: -2.201
local terms energy: -606.936472
where:
bonds (distance) C4'-P energy: -120.682
bonds (distance) P-C4' energy: -120.061
flat angles C4'-P-C4' energy: -133.259
flat angles P-C4'-P energy: -78.087
tors. eta vs tors. theta energy: -154.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1260.444302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.444302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.444302 (E_RNA)
where:
Base-Base interactions energy: -766.493
where: short stacking energy: -361.753
Base-Backbone interact. energy: -4.002
local terms energy: -489.948678
where:
bonds (distance) C4'-P energy: -119.865
bonds (distance) P-C4' energy: -128.331
flat angles C4'-P-C4' energy: -121.177
flat angles P-C4'-P energy: -71.310
tors. eta vs tors. theta energy: -49.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -989.004846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.004846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.004846 (E_RNA)
where:
Base-Base interactions energy: -534.521
where: short stacking energy: -253.540
Base-Backbone interact. energy: -2.044
local terms energy: -452.440209
where:
bonds (distance) C4'-P energy: -120.740
bonds (distance) P-C4' energy: -140.880
flat angles C4'-P-C4' energy: -109.553
flat angles P-C4'-P energy: -73.202
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -906.263047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.263047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.263047 (E_RNA)
where:
Base-Base interactions energy: -483.657
where: short stacking energy: -258.811
Base-Backbone interact. energy: 2.302
local terms energy: -424.908579
where:
bonds (distance) C4'-P energy: -104.247
bonds (distance) P-C4' energy: -133.990
flat angles C4'-P-C4' energy: -103.937
flat angles P-C4'-P energy: -63.445
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2639.716450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.716450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.716450 (E_RNA)
where:
Base-Base interactions energy: -1792.646
where: short stacking energy: -790.057
Base-Backbone interact. energy: -1.802
local terms energy: -845.268693
where:
bonds (distance) C4'-P energy: -151.441
bonds (distance) P-C4' energy: -146.314
flat angles C4'-P-C4' energy: -177.733
flat angles P-C4'-P energy: -119.406
tors. eta vs tors. theta energy: -250.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2551.364471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.364471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.364471 (E_RNA)
where:
Base-Base interactions energy: -1753.468
where: short stacking energy: -723.548
Base-Backbone interact. energy: -3.920
local terms energy: -793.976770
where:
bonds (distance) C4'-P energy: -129.532
bonds (distance) P-C4' energy: -154.821
flat angles C4'-P-C4' energy: -164.578
flat angles P-C4'-P energy: -121.593
tors. eta vs tors. theta energy: -223.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2353.033108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.033108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.033108 (E_RNA)
where:
Base-Base interactions energy: -1625.706
where: short stacking energy: -704.861
Base-Backbone interact. energy: 3.278
local terms energy: -730.605177
where:
bonds (distance) C4'-P energy: -137.128
bonds (distance) P-C4' energy: -140.640
flat angles C4'-P-C4' energy: -158.050
flat angles P-C4'-P energy: -92.029
tors. eta vs tors. theta energy: -202.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2238.875004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.875004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.875004 (E_RNA)
where:
Base-Base interactions energy: -1531.117
where: short stacking energy: -648.140
Base-Backbone interact. energy: -4.979
local terms energy: -702.778907
where:
bonds (distance) C4'-P energy: -113.584
bonds (distance) P-C4' energy: -133.214
flat angles C4'-P-C4' energy: -148.519
flat angles P-C4'-P energy: -102.945
tors. eta vs tors. theta energy: -204.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2123.279344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.279344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.279344 (E_RNA)
where:
Base-Base interactions energy: -1471.823
where: short stacking energy: -646.834
Base-Backbone interact. energy: 1.403
local terms energy: -652.859655
where:
bonds (distance) C4'-P energy: -121.606
bonds (distance) P-C4' energy: -136.251
flat angles C4'-P-C4' energy: -148.276
flat angles P-C4'-P energy: -76.614
tors. eta vs tors. theta energy: -170.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2073.783500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.783500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.783500 (E_RNA)
where:
Base-Base interactions energy: -1430.731
where: short stacking energy: -610.543
Base-Backbone interact. energy: -0.606
local terms energy: -642.445997
where:
bonds (distance) C4'-P energy: -105.938
bonds (distance) P-C4' energy: -108.087
flat angles C4'-P-C4' energy: -164.913
flat angles P-C4'-P energy: -103.556
tors. eta vs tors. theta energy: -159.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1903.628028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.628028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.628028 (E_RNA)
where:
Base-Base interactions energy: -1285.460
where: short stacking energy: -598.056
Base-Backbone interact. energy: 1.737
local terms energy: -619.904662
where:
bonds (distance) C4'-P energy: -110.817
bonds (distance) P-C4' energy: -109.973
flat angles C4'-P-C4' energy: -137.085
flat angles P-C4'-P energy: -92.038
tors. eta vs tors. theta energy: -169.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1252.141925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.141925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.141925 (E_RNA)
where:
Base-Base interactions energy: -763.643
where: short stacking energy: -365.848
Base-Backbone interact. energy: -1.671
local terms energy: -486.827190
where:
bonds (distance) C4'-P energy: -111.841
bonds (distance) P-C4' energy: -135.700
flat angles C4'-P-C4' energy: -120.311
flat angles P-C4'-P energy: -58.477
tors. eta vs tors. theta energy: -60.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -990.075215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.075215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.075215 (E_RNA)
where:
Base-Base interactions energy: -564.187
where: short stacking energy: -297.122
Base-Backbone interact. energy: -0.595
local terms energy: -425.293064
where:
bonds (distance) C4'-P energy: -100.811
bonds (distance) P-C4' energy: -129.842
flat angles C4'-P-C4' energy: -106.861
flat angles P-C4'-P energy: -63.448
tors. eta vs tors. theta energy: -24.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -861.492558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.492558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.492558 (E_RNA)
where:
Base-Base interactions energy: -419.296
where: short stacking energy: -224.492
Base-Backbone interact. energy: -2.134
local terms energy: -440.063463
where:
bonds (distance) C4'-P energy: -118.249
bonds (distance) P-C4' energy: -144.544
flat angles C4'-P-C4' energy: -114.065
flat angles P-C4'-P energy: -68.769
tors. eta vs tors. theta energy: 5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2676.208175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.208175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.208175 (E_RNA)
where:
Base-Base interactions energy: -1831.691
where: short stacking energy: -814.014
Base-Backbone interact. energy: -2.681
local terms energy: -841.836400
where:
bonds (distance) C4'-P energy: -149.778
bonds (distance) P-C4' energy: -156.518
flat angles C4'-P-C4' energy: -174.800
flat angles P-C4'-P energy: -112.981
tors. eta vs tors. theta energy: -247.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2556.002701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.002701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.002701 (E_RNA)
where:
Base-Base interactions energy: -1745.589
where: short stacking energy: -737.302
Base-Backbone interact. energy: -1.401
local terms energy: -809.012119
where:
bonds (distance) C4'-P energy: -147.275
bonds (distance) P-C4' energy: -150.603
flat angles C4'-P-C4' energy: -166.355
flat angles P-C4'-P energy: -115.731
tors. eta vs tors. theta energy: -229.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2369.238449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.238449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.238449 (E_RNA)
where:
Base-Base interactions energy: -1628.807
where: short stacking energy: -687.279
Base-Backbone interact. energy: 1.659
local terms energy: -742.090914
where:
bonds (distance) C4'-P energy: -138.030
bonds (distance) P-C4' energy: -138.089
flat angles C4'-P-C4' energy: -157.339
flat angles P-C4'-P energy: -103.428
tors. eta vs tors. theta energy: -205.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2251.442805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.442805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.442805 (E_RNA)
where:
Base-Base interactions energy: -1538.674
where: short stacking energy: -656.777
Base-Backbone interact. energy: 2.159
local terms energy: -714.928002
where:
bonds (distance) C4'-P energy: -128.908
bonds (distance) P-C4' energy: -133.754
flat angles C4'-P-C4' energy: -163.159
flat angles P-C4'-P energy: -98.992
tors. eta vs tors. theta energy: -190.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2167.601948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.601948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.601948 (E_RNA)
where:
Base-Base interactions energy: -1477.725
where: short stacking energy: -607.775
Base-Backbone interact. energy: -4.046
local terms energy: -685.830961
where:
bonds (distance) C4'-P energy: -127.371
bonds (distance) P-C4' energy: -138.299
flat angles C4'-P-C4' energy: -159.323
flat angles P-C4'-P energy: -96.693
tors. eta vs tors. theta energy: -164.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2056.202596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.202596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.202596 (E_RNA)
where:
Base-Base interactions energy: -1399.017
where: short stacking energy: -603.181
Base-Backbone interact. energy: -0.668
local terms energy: -656.518401
where:
bonds (distance) C4'-P energy: -130.832
bonds (distance) P-C4' energy: -126.174
flat angles C4'-P-C4' energy: -139.818
flat angles P-C4'-P energy: -98.459
tors. eta vs tors. theta energy: -161.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1861.350336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.350336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.350336 (E_RNA)
where:
Base-Base interactions energy: -1227.892
where: short stacking energy: -588.258
Base-Backbone interact. energy: -2.138
local terms energy: -631.320800
where:
bonds (distance) C4'-P energy: -119.870
bonds (distance) P-C4' energy: -121.929
flat angles C4'-P-C4' energy: -146.798
flat angles P-C4'-P energy: -88.488
tors. eta vs tors. theta energy: -154.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1215.021609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.021609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.021609 (E_RNA)
where:
Base-Base interactions energy: -728.250
where: short stacking energy: -364.858
Base-Backbone interact. energy: 0.725
local terms energy: -487.497253
where:
bonds (distance) C4'-P energy: -123.380
bonds (distance) P-C4' energy: -114.589
flat angles C4'-P-C4' energy: -120.121
flat angles P-C4'-P energy: -84.631
tors. eta vs tors. theta energy: -44.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -996.445892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.445892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.445892 (E_RNA)
where:
Base-Base interactions energy: -534.638
where: short stacking energy: -280.187
Base-Backbone interact. energy: -1.869
local terms energy: -459.938634
where:
bonds (distance) C4'-P energy: -119.871
bonds (distance) P-C4' energy: -121.772
flat angles C4'-P-C4' energy: -120.502
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -37.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -824.320172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.320172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.320172 (E_RNA)
where:
Base-Base interactions energy: -437.622
where: short stacking energy: -224.664
Base-Backbone interact. energy: 0.114
local terms energy: -386.811393
where:
bonds (distance) C4'-P energy: -114.593
bonds (distance) P-C4' energy: -89.799
flat angles C4'-P-C4' energy: -116.121
flat angles P-C4'-P energy: -75.409
tors. eta vs tors. theta energy: 9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2664.863413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.863413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.863413 (E_RNA)
where:
Base-Base interactions energy: -1843.266
where: short stacking energy: -815.332
Base-Backbone interact. energy: -0.991
local terms energy: -820.606790
where:
bonds (distance) C4'-P energy: -143.614
bonds (distance) P-C4' energy: -143.866
flat angles C4'-P-C4' energy: -175.493
flat angles P-C4'-P energy: -114.599
tors. eta vs tors. theta energy: -243.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2541.991036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.991036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.991036 (E_RNA)
where:
Base-Base interactions energy: -1753.769
where: short stacking energy: -758.188
Base-Backbone interact. energy: -3.485
local terms energy: -784.736710
where:
bonds (distance) C4'-P energy: -150.830
bonds (distance) P-C4' energy: -142.205
flat angles C4'-P-C4' energy: -145.812
flat angles P-C4'-P energy: -114.441
tors. eta vs tors. theta energy: -231.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2364.347598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.347598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.347598 (E_RNA)
where:
Base-Base interactions energy: -1626.827
where: short stacking energy: -690.159
Base-Backbone interact. energy: -1.000
local terms energy: -736.520207
where:
bonds (distance) C4'-P energy: -144.155
bonds (distance) P-C4' energy: -137.391
flat angles C4'-P-C4' energy: -161.751
flat angles P-C4'-P energy: -100.062
tors. eta vs tors. theta energy: -193.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2300.853471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.853471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.853471 (E_RNA)
where:
Base-Base interactions energy: -1553.212
where: short stacking energy: -683.069
Base-Backbone interact. energy: -2.292
local terms energy: -745.348895
where:
bonds (distance) C4'-P energy: -134.873
bonds (distance) P-C4' energy: -144.884
flat angles C4'-P-C4' energy: -164.576
flat angles P-C4'-P energy: -101.389
tors. eta vs tors. theta energy: -199.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2129.330556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.330556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.330556 (E_RNA)
where:
Base-Base interactions energy: -1437.792
where: short stacking energy: -634.059
Base-Backbone interact. energy: 1.874
local terms energy: -693.411962
where:
bonds (distance) C4'-P energy: -129.852
bonds (distance) P-C4' energy: -145.957
flat angles C4'-P-C4' energy: -138.563
flat angles P-C4'-P energy: -90.253
tors. eta vs tors. theta energy: -188.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2024.497502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.497502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.497502 (E_RNA)
where:
Base-Base interactions energy: -1360.372
where: short stacking energy: -586.591
Base-Backbone interact. energy: 0.779
local terms energy: -664.903804
where:
bonds (distance) C4'-P energy: -140.930
bonds (distance) P-C4' energy: -121.682
flat angles C4'-P-C4' energy: -157.238
flat angles P-C4'-P energy: -92.522
tors. eta vs tors. theta energy: -152.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1845.233923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.233923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.233923 (E_RNA)
where:
Base-Base interactions energy: -1216.807
where: short stacking energy: -549.328
Base-Backbone interact. energy: -1.228
local terms energy: -627.198725
where:
bonds (distance) C4'-P energy: -126.866
bonds (distance) P-C4' energy: -144.636
flat angles C4'-P-C4' energy: -131.134
flat angles P-C4'-P energy: -85.505
tors. eta vs tors. theta energy: -139.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1245.284266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.284266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.284266 (E_RNA)
where:
Base-Base interactions energy: -756.330
where: short stacking energy: -367.657
Base-Backbone interact. energy: 0.513
local terms energy: -489.466969
where:
bonds (distance) C4'-P energy: -107.367
bonds (distance) P-C4' energy: -126.035
flat angles C4'-P-C4' energy: -113.643
flat angles P-C4'-P energy: -81.595
tors. eta vs tors. theta energy: -60.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -998.202458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.202458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.202458 (E_RNA)
where:
Base-Base interactions energy: -565.528
where: short stacking energy: -309.443
Base-Backbone interact. energy: 0.043
local terms energy: -432.717524
where:
bonds (distance) C4'-P energy: -111.694
bonds (distance) P-C4' energy: -126.968
flat angles C4'-P-C4' energy: -103.380
flat angles P-C4'-P energy: -63.822
tors. eta vs tors. theta energy: -26.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -847.421607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.421607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.421607 (E_RNA)
where:
Base-Base interactions energy: -424.194
where: short stacking energy: -234.108
Base-Backbone interact. energy: -2.299
local terms energy: -420.928759
where:
bonds (distance) C4'-P energy: -121.252
bonds (distance) P-C4' energy: -126.183
flat angles C4'-P-C4' energy: -106.120
flat angles P-C4'-P energy: -55.728
tors. eta vs tors. theta energy: -11.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2654.102236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.102236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.102236 (E_RNA)
where:
Base-Base interactions energy: -1821.743
where: short stacking energy: -791.393
Base-Backbone interact. energy: -1.961
local terms energy: -830.398206
where:
bonds (distance) C4'-P energy: -149.113
bonds (distance) P-C4' energy: -156.099
flat angles C4'-P-C4' energy: -173.276
flat angles P-C4'-P energy: -110.378
tors. eta vs tors. theta energy: -241.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2578.926344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.926344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.926344 (E_RNA)
where:
Base-Base interactions energy: -1775.977
where: short stacking energy: -767.108
Base-Backbone interact. energy: -5.171
local terms energy: -797.778078
where:
bonds (distance) C4'-P energy: -143.564
bonds (distance) P-C4' energy: -140.289
flat angles C4'-P-C4' energy: -171.573
flat angles P-C4'-P energy: -102.915
tors. eta vs tors. theta energy: -239.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2346.527606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.527606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.527606 (E_RNA)
where:
Base-Base interactions energy: -1635.917
where: short stacking energy: -709.417
Base-Backbone interact. energy: -2.763
local terms energy: -707.846887
where:
bonds (distance) C4'-P energy: -130.439
bonds (distance) P-C4' energy: -136.556
flat angles C4'-P-C4' energy: -151.704
flat angles P-C4'-P energy: -86.724
tors. eta vs tors. theta energy: -202.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2268.012919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.012919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.012919 (E_RNA)
where:
Base-Base interactions energy: -1571.623
where: short stacking energy: -667.198
Base-Backbone interact. energy: -3.231
local terms energy: -693.158977
where:
bonds (distance) C4'-P energy: -126.538
bonds (distance) P-C4' energy: -123.471
flat angles C4'-P-C4' energy: -151.345
flat angles P-C4'-P energy: -97.324
tors. eta vs tors. theta energy: -194.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2150.534700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.534700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.534700 (E_RNA)
where:
Base-Base interactions energy: -1492.811
where: short stacking energy: -614.539
Base-Backbone interact. energy: 0.993
local terms energy: -658.716599
where:
bonds (distance) C4'-P energy: -129.520
bonds (distance) P-C4' energy: -126.968
flat angles C4'-P-C4' energy: -145.360
flat angles P-C4'-P energy: -96.051
tors. eta vs tors. theta energy: -160.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2011.752813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.752813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.752813 (E_RNA)
where:
Base-Base interactions energy: -1373.145
where: short stacking energy: -583.710
Base-Backbone interact. energy: -2.308
local terms energy: -636.300068
where:
bonds (distance) C4'-P energy: -118.639
bonds (distance) P-C4' energy: -115.726
flat angles C4'-P-C4' energy: -138.865
flat angles P-C4'-P energy: -105.130
tors. eta vs tors. theta energy: -157.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1835.816020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.816020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.816020 (E_RNA)
where:
Base-Base interactions energy: -1204.756
where: short stacking energy: -580.026
Base-Backbone interact. energy: 0.897
local terms energy: -631.956357
where:
bonds (distance) C4'-P energy: -124.524
bonds (distance) P-C4' energy: -128.736
flat angles C4'-P-C4' energy: -151.269
flat angles P-C4'-P energy: -85.947
tors. eta vs tors. theta energy: -141.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1339.303376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.303376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.303376 (E_RNA)
where:
Base-Base interactions energy: -832.837
where: short stacking energy: -385.461
Base-Backbone interact. energy: -2.544
local terms energy: -503.922000
where:
bonds (distance) C4'-P energy: -133.275
bonds (distance) P-C4' energy: -110.877
flat angles C4'-P-C4' energy: -115.201
flat angles P-C4'-P energy: -68.401
tors. eta vs tors. theta energy: -76.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1049.005874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.005874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.005874 (E_RNA)
where:
Base-Base interactions energy: -586.414
where: short stacking energy: -291.917
Base-Backbone interact. energy: -0.664
local terms energy: -461.927610
where:
bonds (distance) C4'-P energy: -114.514
bonds (distance) P-C4' energy: -132.389
flat angles C4'-P-C4' energy: -115.317
flat angles P-C4'-P energy: -53.252
tors. eta vs tors. theta energy: -46.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -800.904269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.904269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.904269 (E_RNA)
where:
Base-Base interactions energy: -436.120
where: short stacking energy: -243.179
Base-Backbone interact. energy: -1.329
local terms energy: -363.455442
where:
bonds (distance) C4'-P energy: -120.724
bonds (distance) P-C4' energy: -97.351
flat angles C4'-P-C4' energy: -92.713
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2659.042321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.042321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.042321 (E_RNA)
where:
Base-Base interactions energy: -1815.549
where: short stacking energy: -811.244
Base-Backbone interact. energy: -1.407
local terms energy: -842.085681
where:
bonds (distance) C4'-P energy: -144.611
bonds (distance) P-C4' energy: -148.776
flat angles C4'-P-C4' energy: -171.536
flat angles P-C4'-P energy: -127.488
tors. eta vs tors. theta energy: -249.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2550.235100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.235100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.235100 (E_RNA)
where:
Base-Base interactions energy: -1764.703
where: short stacking energy: -747.594
Base-Backbone interact. energy: 2.719
local terms energy: -788.250915
where:
bonds (distance) C4'-P energy: -133.088
bonds (distance) P-C4' energy: -156.504
flat angles C4'-P-C4' energy: -160.137
flat angles P-C4'-P energy: -103.135
tors. eta vs tors. theta energy: -235.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2361.783795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.783795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.783795 (E_RNA)
where:
Base-Base interactions energy: -1622.850
where: short stacking energy: -716.006
Base-Backbone interact. energy: -0.961
local terms energy: -737.973093
where:
bonds (distance) C4'-P energy: -149.658
bonds (distance) P-C4' energy: -131.911
flat angles C4'-P-C4' energy: -159.674
flat angles P-C4'-P energy: -87.211
tors. eta vs tors. theta energy: -209.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2312.333146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.333146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.333146 (E_RNA)
where:
Base-Base interactions energy: -1587.860
where: short stacking energy: -699.354
Base-Backbone interact. energy: -1.794
local terms energy: -722.678818
where:
bonds (distance) C4'-P energy: -130.027
bonds (distance) P-C4' energy: -132.672
flat angles C4'-P-C4' energy: -159.934
flat angles P-C4'-P energy: -97.860
tors. eta vs tors. theta energy: -202.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2175.196451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.196451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.196451 (E_RNA)
where:
Base-Base interactions energy: -1506.015
where: short stacking energy: -637.300
Base-Backbone interact. energy: 0.783
local terms energy: -669.963900
where:
bonds (distance) C4'-P energy: -117.549
bonds (distance) P-C4' energy: -131.887
flat angles C4'-P-C4' energy: -147.228
flat angles P-C4'-P energy: -100.073
tors. eta vs tors. theta energy: -173.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1973.623282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.623282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.623282 (E_RNA)
where:
Base-Base interactions energy: -1354.111
where: short stacking energy: -583.689
Base-Backbone interact. energy: -2.850
local terms energy: -616.662280
where:
bonds (distance) C4'-P energy: -119.280
bonds (distance) P-C4' energy: -134.387
flat angles C4'-P-C4' energy: -129.575
flat angles P-C4'-P energy: -83.451
tors. eta vs tors. theta energy: -149.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1843.369817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.369817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.369817 (E_RNA)
where:
Base-Base interactions energy: -1226.393
where: short stacking energy: -563.640
Base-Backbone interact. energy: -0.015
local terms energy: -616.962047
where:
bonds (distance) C4'-P energy: -121.850
bonds (distance) P-C4' energy: -126.388
flat angles C4'-P-C4' energy: -140.815
flat angles P-C4'-P energy: -80.434
tors. eta vs tors. theta energy: -147.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1379.519847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.519847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.519847 (E_RNA)
where:
Base-Base interactions energy: -861.703
where: short stacking energy: -422.956
Base-Backbone interact. energy: 7.225
local terms energy: -525.041483
where:
bonds (distance) C4'-P energy: -128.546
bonds (distance) P-C4' energy: -131.236
flat angles C4'-P-C4' energy: -105.222
flat angles P-C4'-P energy: -78.399
tors. eta vs tors. theta energy: -81.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1069.423916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.423916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.423916 (E_RNA)
where:
Base-Base interactions energy: -607.542
where: short stacking energy: -316.029
Base-Backbone interact. energy: 5.361
local terms energy: -467.242467
where:
bonds (distance) C4'-P energy: -111.519
bonds (distance) P-C4' energy: -116.715
flat angles C4'-P-C4' energy: -119.099
flat angles P-C4'-P energy: -75.797
tors. eta vs tors. theta energy: -44.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -842.743133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.743133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.743133 (E_RNA)
where:
Base-Base interactions energy: -426.125
where: short stacking energy: -244.190
Base-Backbone interact. energy: -2.911
local terms energy: -413.706253
where:
bonds (distance) C4'-P energy: -106.533
bonds (distance) P-C4' energy: -148.952
flat angles C4'-P-C4' energy: -89.884
flat angles P-C4'-P energy: -67.202
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2654.599887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.599887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.599887 (E_RNA)
where:
Base-Base interactions energy: -1831.813
where: short stacking energy: -803.939
Base-Backbone interact. energy: 0.799
local terms energy: -823.585999
where:
bonds (distance) C4'-P energy: -141.223
bonds (distance) P-C4' energy: -147.172
flat angles C4'-P-C4' energy: -172.054
flat angles P-C4'-P energy: -118.400
tors. eta vs tors. theta energy: -244.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2554.206553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.206553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.206553 (E_RNA)
where:
Base-Base interactions energy: -1754.048
where: short stacking energy: -780.836
Base-Backbone interact. energy: -1.587
local terms energy: -798.571950
where:
bonds (distance) C4'-P energy: -125.149
bonds (distance) P-C4' energy: -150.666
flat angles C4'-P-C4' energy: -164.803
flat angles P-C4'-P energy: -123.521
tors. eta vs tors. theta energy: -234.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2381.938107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.938107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.938107 (E_RNA)
where:
Base-Base interactions energy: -1636.573
where: short stacking energy: -698.499
Base-Backbone interact. energy: -2.112
local terms energy: -743.253110
where:
bonds (distance) C4'-P energy: -134.842
bonds (distance) P-C4' energy: -142.790
flat angles C4'-P-C4' energy: -159.910
flat angles P-C4'-P energy: -99.462
tors. eta vs tors. theta energy: -206.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2314.426814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.426814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.426814 (E_RNA)
where:
Base-Base interactions energy: -1551.940
where: short stacking energy: -682.001
Base-Backbone interact. energy: 1.108
local terms energy: -763.594675
where:
bonds (distance) C4'-P energy: -141.634
bonds (distance) P-C4' energy: -142.152
flat angles C4'-P-C4' energy: -160.392
flat angles P-C4'-P energy: -114.790
tors. eta vs tors. theta energy: -204.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2206.504090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.504090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.504090 (E_RNA)
where:
Base-Base interactions energy: -1552.854
where: short stacking energy: -637.111
Base-Backbone interact. energy: 4.468
local terms energy: -658.118582
where:
bonds (distance) C4'-P energy: -124.923
bonds (distance) P-C4' energy: -135.705
flat angles C4'-P-C4' energy: -132.777
flat angles P-C4'-P energy: -87.298
tors. eta vs tors. theta energy: -177.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2000.508166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.508166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.508166 (E_RNA)
where:
Base-Base interactions energy: -1330.437
where: short stacking energy: -555.431
Base-Backbone interact. energy: -0.770
local terms energy: -669.301173
where:
bonds (distance) C4'-P energy: -135.456
bonds (distance) P-C4' energy: -139.669
flat angles C4'-P-C4' energy: -141.446
flat angles P-C4'-P energy: -100.364
tors. eta vs tors. theta energy: -152.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1862.262514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.262514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.262514 (E_RNA)
where:
Base-Base interactions energy: -1266.576
where: short stacking energy: -545.488
Base-Backbone interact. energy: -4.684
local terms energy: -591.002762
where:
bonds (distance) C4'-P energy: -106.328
bonds (distance) P-C4' energy: -113.048
flat angles C4'-P-C4' energy: -132.606
flat angles P-C4'-P energy: -96.899
tors. eta vs tors. theta energy: -142.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1415.156327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.156327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.156327 (E_RNA)
where:
Base-Base interactions energy: -890.738
where: short stacking energy: -423.914
Base-Backbone interact. energy: -1.793
local terms energy: -522.625349
where:
bonds (distance) C4'-P energy: -113.418
bonds (distance) P-C4' energy: -125.725
flat angles C4'-P-C4' energy: -119.193
flat angles P-C4'-P energy: -64.120
tors. eta vs tors. theta energy: -100.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1122.125513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.125513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.125513 (E_RNA)
where:
Base-Base interactions energy: -642.215
where: short stacking energy: -347.651
Base-Backbone interact. energy: 0.905
local terms energy: -480.815339
where:
bonds (distance) C4'-P energy: -94.485
bonds (distance) P-C4' energy: -130.790
flat angles C4'-P-C4' energy: -133.484
flat angles P-C4'-P energy: -73.331
tors. eta vs tors. theta energy: -48.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -871.978698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.978698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.978698 (E_RNA)
where:
Base-Base interactions energy: -460.288
where: short stacking energy: -264.513
Base-Backbone interact. energy: -1.467
local terms energy: -410.223788
where:
bonds (distance) C4'-P energy: -105.428
bonds (distance) P-C4' energy: -116.504
flat angles C4'-P-C4' energy: -102.496
flat angles P-C4'-P energy: -72.405
tors. eta vs tors. theta energy: -13.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2636.541474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.541474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.541474 (E_RNA)
where:
Base-Base interactions energy: -1804.196
where: short stacking energy: -814.856
Base-Backbone interact. energy: -1.532
local terms energy: -830.814184
where:
bonds (distance) C4'-P energy: -138.886
bonds (distance) P-C4' energy: -149.146
flat angles C4'-P-C4' energy: -171.350
flat angles P-C4'-P energy: -124.933
tors. eta vs tors. theta energy: -246.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2553.918384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.918384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.918384 (E_RNA)
where:
Base-Base interactions energy: -1739.621
where: short stacking energy: -769.795
Base-Backbone interact. energy: -2.616
local terms energy: -811.681415
where:
bonds (distance) C4'-P energy: -138.260
bonds (distance) P-C4' energy: -158.115
flat angles C4'-P-C4' energy: -156.678
flat angles P-C4'-P energy: -121.774
tors. eta vs tors. theta energy: -236.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2398.405775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.405775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.405775 (E_RNA)
where:
Base-Base interactions energy: -1622.500
where: short stacking energy: -713.144
Base-Backbone interact. energy: -4.266
local terms energy: -771.639499
where:
bonds (distance) C4'-P energy: -129.877
bonds (distance) P-C4' energy: -131.022
flat angles C4'-P-C4' energy: -173.571
flat angles P-C4'-P energy: -116.360
tors. eta vs tors. theta energy: -220.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -2293.042316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.042316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.042316 (E_RNA)
where:
Base-Base interactions energy: -1606.461
where: short stacking energy: -694.716
Base-Backbone interact. energy: -3.563
local terms energy: -683.018594
where:
bonds (distance) C4'-P energy: -122.767
bonds (distance) P-C4' energy: -130.746
flat angles C4'-P-C4' energy: -137.618
flat angles P-C4'-P energy: -87.693
tors. eta vs tors. theta energy: -204.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2187.018358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.018358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.018358 (E_RNA)
where:
Base-Base interactions energy: -1525.654
where: short stacking energy: -642.609
Base-Backbone interact. energy: -3.435
local terms energy: -657.928742
where:
bonds (distance) C4'-P energy: -133.833
bonds (distance) P-C4' energy: -135.435
flat angles C4'-P-C4' energy: -117.732
flat angles P-C4'-P energy: -96.002
tors. eta vs tors. theta energy: -174.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1959.923186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.923186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.923186 (E_RNA)
where:
Base-Base interactions energy: -1330.490
where: short stacking energy: -555.634
Base-Backbone interact. energy: -3.202
local terms energy: -626.231620
where:
bonds (distance) C4'-P energy: -125.776
bonds (distance) P-C4' energy: -115.609
flat angles C4'-P-C4' energy: -145.699
flat angles P-C4'-P energy: -83.157
tors. eta vs tors. theta energy: -155.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1874.806220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.806220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.806220 (E_RNA)
where:
Base-Base interactions energy: -1231.983
where: short stacking energy: -545.641
Base-Backbone interact. energy: -3.876
local terms energy: -638.948014
where:
bonds (distance) C4'-P energy: -112.383
bonds (distance) P-C4' energy: -138.231
flat angles C4'-P-C4' energy: -143.761
flat angles P-C4'-P energy: -96.471
tors. eta vs tors. theta energy: -148.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1364.486739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.486739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.486739 (E_RNA)
where:
Base-Base interactions energy: -834.326
where: short stacking energy: -402.606
Base-Backbone interact. energy: -0.473
local terms energy: -529.687827
where:
bonds (distance) C4'-P energy: -116.405
bonds (distance) P-C4' energy: -112.502
flat angles C4'-P-C4' energy: -141.757
flat angles P-C4'-P energy: -84.093
tors. eta vs tors. theta energy: -74.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1068.406548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.406548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.406548 (E_RNA)
where:
Base-Base interactions energy: -574.255
where: short stacking energy: -295.841
Base-Backbone interact. energy: 0.895
local terms energy: -495.046525
where:
bonds (distance) C4'-P energy: -116.223
bonds (distance) P-C4' energy: -131.921
flat angles C4'-P-C4' energy: -114.609
flat angles P-C4'-P energy: -83.382
tors. eta vs tors. theta energy: -48.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -871.752314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.752314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.752314 (E_RNA)
where:
Base-Base interactions energy: -445.901
where: short stacking energy: -232.566
Base-Backbone interact. energy: 4.153
local terms energy: -430.004712
where:
bonds (distance) C4'-P energy: -116.406
bonds (distance) P-C4' energy: -138.150
flat angles C4'-P-C4' energy: -104.799
flat angles P-C4'-P energy: -76.054
tors. eta vs tors. theta energy: 5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2665.301687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.301687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.301687 (E_RNA)
where:
Base-Base interactions energy: -1831.243
where: short stacking energy: -806.914
Base-Backbone interact. energy: -0.675
local terms energy: -833.383376
where:
bonds (distance) C4'-P energy: -146.884
bonds (distance) P-C4' energy: -147.934
flat angles C4'-P-C4' energy: -176.449
flat angles P-C4'-P energy: -116.811
tors. eta vs tors. theta energy: -245.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2524.913270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.913270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.913270 (E_RNA)
where:
Base-Base interactions energy: -1748.665
where: short stacking energy: -752.706
Base-Backbone interact. energy: -2.113
local terms energy: -774.134815
where:
bonds (distance) C4'-P energy: -129.185
bonds (distance) P-C4' energy: -136.945
flat angles C4'-P-C4' energy: -172.473
flat angles P-C4'-P energy: -104.449
tors. eta vs tors. theta energy: -231.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2338.854457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.854457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.854457 (E_RNA)
where:
Base-Base interactions energy: -1595.101
where: short stacking energy: -708.359
Base-Backbone interact. energy: -0.445
local terms energy: -743.307561
where:
bonds (distance) C4'-P energy: -134.857
bonds (distance) P-C4' energy: -141.731
flat angles C4'-P-C4' energy: -155.886
flat angles P-C4'-P energy: -103.131
tors. eta vs tors. theta energy: -207.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2243.130183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.130183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.130183 (E_RNA)
where:
Base-Base interactions energy: -1525.940
where: short stacking energy: -647.544
Base-Backbone interact. energy: -3.234
local terms energy: -713.955589
where:
bonds (distance) C4'-P energy: -124.341
bonds (distance) P-C4' energy: -146.625
flat angles C4'-P-C4' energy: -155.083
flat angles P-C4'-P energy: -96.184
tors. eta vs tors. theta energy: -191.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2169.851505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.851505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.851505 (E_RNA)
where:
Base-Base interactions energy: -1497.615
where: short stacking energy: -652.085
Base-Backbone interact. energy: -3.023
local terms energy: -669.212725
where:
bonds (distance) C4'-P energy: -135.571
bonds (distance) P-C4' energy: -123.733
flat angles C4'-P-C4' energy: -154.352
flat angles P-C4'-P energy: -91.120
tors. eta vs tors. theta energy: -164.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1955.018848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.018848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.018848 (E_RNA)
where:
Base-Base interactions energy: -1361.940
where: short stacking energy: -565.586
Base-Backbone interact. energy: -4.716
local terms energy: -588.363623
where:
bonds (distance) C4'-P energy: -98.415
bonds (distance) P-C4' energy: -112.437
flat angles C4'-P-C4' energy: -131.611
flat angles P-C4'-P energy: -90.137
tors. eta vs tors. theta energy: -155.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1933.290212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.290212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.290212 (E_RNA)
where:
Base-Base interactions energy: -1319.589
where: short stacking energy: -592.039
Base-Backbone interact. energy: -2.551
local terms energy: -611.150387
where:
bonds (distance) C4'-P energy: -111.083
bonds (distance) P-C4' energy: -129.390
flat angles C4'-P-C4' energy: -130.836
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -165.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1400.350182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.350182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.350182 (E_RNA)
where:
Base-Base interactions energy: -854.953
where: short stacking energy: -399.160
Base-Backbone interact. energy: -3.020
local terms energy: -542.377313
where:
bonds (distance) C4'-P energy: -120.724
bonds (distance) P-C4' energy: -121.235
flat angles C4'-P-C4' energy: -133.770
flat angles P-C4'-P energy: -75.840
tors. eta vs tors. theta energy: -90.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1016.252536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.252536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.252536 (E_RNA)
where:
Base-Base interactions energy: -568.475
where: short stacking energy: -274.141
Base-Backbone interact. energy: 0.749
local terms energy: -448.526655
where:
bonds (distance) C4'-P energy: -110.380
bonds (distance) P-C4' energy: -119.941
flat angles C4'-P-C4' energy: -111.369
flat angles P-C4'-P energy: -83.977
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -846.959557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.959557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.959557 (E_RNA)
where:
Base-Base interactions energy: -413.096
where: short stacking energy: -236.964
Base-Backbone interact. energy: -1.198
local terms energy: -432.665962
where:
bonds (distance) C4'-P energy: -118.414
bonds (distance) P-C4' energy: -130.567
flat angles C4'-P-C4' energy: -105.380
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2652.416504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.416504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.416504 (E_RNA)
where:
Base-Base interactions energy: -1822.330
where: short stacking energy: -818.670
Base-Backbone interact. energy: -1.911
local terms energy: -828.175380
where:
bonds (distance) C4'-P energy: -147.029
bonds (distance) P-C4' energy: -147.845
flat angles C4'-P-C4' energy: -168.519
flat angles P-C4'-P energy: -120.839
tors. eta vs tors. theta energy: -243.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2564.953248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.953248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.953248 (E_RNA)
where:
Base-Base interactions energy: -1788.558
where: short stacking energy: -752.300
Base-Backbone interact. energy: -0.354
local terms energy: -776.041249
where:
bonds (distance) C4'-P energy: -129.915
bonds (distance) P-C4' energy: -144.132
flat angles C4'-P-C4' energy: -157.525
flat angles P-C4'-P energy: -121.121
tors. eta vs tors. theta energy: -223.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2354.503141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.503141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.503141 (E_RNA)
where:
Base-Base interactions energy: -1606.575
where: short stacking energy: -712.955
Base-Backbone interact. energy: -1.955
local terms energy: -745.972934
where:
bonds (distance) C4'-P energy: -141.127
bonds (distance) P-C4' energy: -126.431
flat angles C4'-P-C4' energy: -159.935
flat angles P-C4'-P energy: -111.679
tors. eta vs tors. theta energy: -206.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2266.585045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.585045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.585045 (E_RNA)
where:
Base-Base interactions energy: -1572.653
where: short stacking energy: -635.568
Base-Backbone interact. energy: -3.023
local terms energy: -690.909642
where:
bonds (distance) C4'-P energy: -123.838
bonds (distance) P-C4' energy: -132.998
flat angles C4'-P-C4' energy: -151.404
flat angles P-C4'-P energy: -105.492
tors. eta vs tors. theta energy: -177.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2192.823932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.823932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.823932 (E_RNA)
where:
Base-Base interactions energy: -1501.141
where: short stacking energy: -652.809
Base-Backbone interact. energy: 0.592
local terms energy: -692.274747
where:
bonds (distance) C4'-P energy: -137.296
bonds (distance) P-C4' energy: -132.419
flat angles C4'-P-C4' energy: -145.316
flat angles P-C4'-P energy: -93.077
tors. eta vs tors. theta energy: -184.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1982.068708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.068708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.068708 (E_RNA)
where:
Base-Base interactions energy: -1367.244
where: short stacking energy: -559.882
Base-Backbone interact. energy: -2.337
local terms energy: -612.488282
where:
bonds (distance) C4'-P energy: -129.308
bonds (distance) P-C4' energy: -110.676
flat angles C4'-P-C4' energy: -149.850
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -148.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1798.027832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.027832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.027832 (E_RNA)
where:
Base-Base interactions energy: -1236.605
where: short stacking energy: -539.894
Base-Backbone interact. energy: 2.048
local terms energy: -563.470908
where:
bonds (distance) C4'-P energy: -98.695
bonds (distance) P-C4' energy: -123.674
flat angles C4'-P-C4' energy: -124.894
flat angles P-C4'-P energy: -85.654
tors. eta vs tors. theta energy: -130.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1337.237436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.237436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.237436 (E_RNA)
where:
Base-Base interactions energy: -835.213
where: short stacking energy: -389.648
Base-Backbone interact. energy: 2.605
local terms energy: -504.629908
where:
bonds (distance) C4'-P energy: -110.205
bonds (distance) P-C4' energy: -133.050
flat angles C4'-P-C4' energy: -112.535
flat angles P-C4'-P energy: -71.622
tors. eta vs tors. theta energy: -77.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -981.214016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.214016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.214016 (E_RNA)
where:
Base-Base interactions energy: -565.830
where: short stacking energy: -290.353
Base-Backbone interact. energy: 4.959
local terms energy: -420.343051
where:
bonds (distance) C4'-P energy: -119.091
bonds (distance) P-C4' energy: -112.061
flat angles C4'-P-C4' energy: -90.999
flat angles P-C4'-P energy: -67.080
tors. eta vs tors. theta energy: -31.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -798.648051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.648051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.648051 (E_RNA)
where:
Base-Base interactions energy: -431.519
where: short stacking energy: -238.538
Base-Backbone interact. energy: 0.745
local terms energy: -367.875009
where:
bonds (distance) C4'-P energy: -94.987
bonds (distance) P-C4' energy: -102.558
flat angles C4'-P-C4' energy: -103.144
flat angles P-C4'-P energy: -66.597
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2665.566522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.566522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.566522 (E_RNA)
where:
Base-Base interactions energy: -1844.441
where: short stacking energy: -829.942
Base-Backbone interact. energy: -1.375
local terms energy: -819.750430
where:
bonds (distance) C4'-P energy: -142.623
bonds (distance) P-C4' energy: -138.048
flat angles C4'-P-C4' energy: -166.882
flat angles P-C4'-P energy: -119.010
tors. eta vs tors. theta energy: -253.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2560.648254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.648254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.648254 (E_RNA)
where:
Base-Base interactions energy: -1766.629
where: short stacking energy: -722.376
Base-Backbone interact. energy: 1.948
local terms energy: -795.967058
where:
bonds (distance) C4'-P energy: -129.666
bonds (distance) P-C4' energy: -148.769
flat angles C4'-P-C4' energy: -167.353
flat angles P-C4'-P energy: -116.597
tors. eta vs tors. theta energy: -233.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2362.990223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.990223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.990223 (E_RNA)
where:
Base-Base interactions energy: -1646.930
where: short stacking energy: -721.192
Base-Backbone interact. energy: -3.606
local terms energy: -712.453783
where:
bonds (distance) C4'-P energy: -128.358
bonds (distance) P-C4' energy: -133.198
flat angles C4'-P-C4' energy: -149.249
flat angles P-C4'-P energy: -90.873
tors. eta vs tors. theta energy: -210.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2331.129928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.129928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.129928 (E_RNA)
where:
Base-Base interactions energy: -1625.323
where: short stacking energy: -698.056
Base-Backbone interact. energy: -2.150
local terms energy: -703.656687
where:
bonds (distance) C4'-P energy: -118.653
bonds (distance) P-C4' energy: -140.053
flat angles C4'-P-C4' energy: -159.117
flat angles P-C4'-P energy: -93.524
tors. eta vs tors. theta energy: -192.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2224.245687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.245687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.245687 (E_RNA)
where:
Base-Base interactions energy: -1521.348
where: short stacking energy: -618.719
Base-Backbone interact. energy: -2.542
local terms energy: -700.355344
where:
bonds (distance) C4'-P energy: -130.939
bonds (distance) P-C4' energy: -147.429
flat angles C4'-P-C4' energy: -147.303
flat angles P-C4'-P energy: -101.996
tors. eta vs tors. theta energy: -172.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1975.574404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.574404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.574404 (E_RNA)
where:
Base-Base interactions energy: -1355.439
where: short stacking energy: -576.150
Base-Backbone interact. energy: -2.908
local terms energy: -617.228166
where:
bonds (distance) C4'-P energy: -125.071
bonds (distance) P-C4' energy: -110.339
flat angles C4'-P-C4' energy: -151.105
flat angles P-C4'-P energy: -90.784
tors. eta vs tors. theta energy: -139.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1860.053167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.053167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.053167 (E_RNA)
where:
Base-Base interactions energy: -1251.622
where: short stacking energy: -578.123
Base-Backbone interact. energy: -0.245
local terms energy: -608.186051
where:
bonds (distance) C4'-P energy: -137.913
bonds (distance) P-C4' energy: -121.850
flat angles C4'-P-C4' energy: -136.825
flat angles P-C4'-P energy: -70.664
tors. eta vs tors. theta energy: -140.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1364.895513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.895513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.895513 (E_RNA)
where:
Base-Base interactions energy: -847.471
where: short stacking energy: -382.443
Base-Backbone interact. energy: -3.272
local terms energy: -514.152343
where:
bonds (distance) C4'-P energy: -126.372
bonds (distance) P-C4' energy: -110.662
flat angles C4'-P-C4' energy: -126.256
flat angles P-C4'-P energy: -85.887
tors. eta vs tors. theta energy: -64.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1016.652625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.652625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.652625 (E_RNA)
where:
Base-Base interactions energy: -568.776
where: short stacking energy: -300.917
Base-Backbone interact. energy: -2.531
local terms energy: -445.345272
where:
bonds (distance) C4'-P energy: -96.474
bonds (distance) P-C4' energy: -122.011
flat angles C4'-P-C4' energy: -118.102
flat angles P-C4'-P energy: -75.572
tors. eta vs tors. theta energy: -33.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -898.197663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.197663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.197663 (E_RNA)
where:
Base-Base interactions energy: -441.216
where: short stacking energy: -223.111
Base-Backbone interact. energy: -3.977
local terms energy: -453.005454
where:
bonds (distance) C4'-P energy: -119.076
bonds (distance) P-C4' energy: -126.113
flat angles C4'-P-C4' energy: -123.699
flat angles P-C4'-P energy: -67.739
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2669.457475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.457475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.457475 (E_RNA)
where:
Base-Base interactions energy: -1820.458
where: short stacking energy: -784.980
Base-Backbone interact. energy: 0.489
local terms energy: -849.488248
where:
bonds (distance) C4'-P energy: -153.906
bonds (distance) P-C4' energy: -160.715
flat angles C4'-P-C4' energy: -179.993
flat angles P-C4'-P energy: -115.104
tors. eta vs tors. theta energy: -239.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2582.004161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.004161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.004161 (E_RNA)
where:
Base-Base interactions energy: -1796.192
where: short stacking energy: -756.353
Base-Backbone interact. energy: 1.765
local terms energy: -787.577107
where:
bonds (distance) C4'-P energy: -142.392
bonds (distance) P-C4' energy: -150.158
flat angles C4'-P-C4' energy: -152.585
flat angles P-C4'-P energy: -112.653
tors. eta vs tors. theta energy: -229.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2419.514064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.514064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.514064 (E_RNA)
where:
Base-Base interactions energy: -1668.722
where: short stacking energy: -705.736
Base-Backbone interact. energy: -2.687
local terms energy: -748.104640
where:
bonds (distance) C4'-P energy: -130.178
bonds (distance) P-C4' energy: -137.854
flat angles C4'-P-C4' energy: -169.543
flat angles P-C4'-P energy: -105.405
tors. eta vs tors. theta energy: -205.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2312.104217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.104217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.104217 (E_RNA)
where:
Base-Base interactions energy: -1610.756
where: short stacking energy: -671.226
Base-Backbone interact. energy: -2.677
local terms energy: -698.671445
where:
bonds (distance) C4'-P energy: -129.762
bonds (distance) P-C4' energy: -127.241
flat angles C4'-P-C4' energy: -150.914
flat angles P-C4'-P energy: -99.938
tors. eta vs tors. theta energy: -190.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2257.161786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.161786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.161786 (E_RNA)
where:
Base-Base interactions energy: -1567.702
where: short stacking energy: -647.416
Base-Backbone interact. energy: -1.670
local terms energy: -687.790479
where:
bonds (distance) C4'-P energy: -131.512
bonds (distance) P-C4' energy: -117.582
flat angles C4'-P-C4' energy: -154.548
flat angles P-C4'-P energy: -101.875
tors. eta vs tors. theta energy: -182.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1995.242092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.242092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.242092 (E_RNA)
where:
Base-Base interactions energy: -1388.137
where: short stacking energy: -566.732
Base-Backbone interact. energy: -1.356
local terms energy: -605.748977
where:
bonds (distance) C4'-P energy: -113.655
bonds (distance) P-C4' energy: -122.391
flat angles C4'-P-C4' energy: -134.715
flat angles P-C4'-P energy: -83.867
tors. eta vs tors. theta energy: -151.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1871.380423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.380423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.380423 (E_RNA)
where:
Base-Base interactions energy: -1218.634
where: short stacking energy: -569.687
Base-Backbone interact. energy: -1.768
local terms energy: -650.978224
where:
bonds (distance) C4'-P energy: -139.488
bonds (distance) P-C4' energy: -130.507
flat angles C4'-P-C4' energy: -135.778
flat angles P-C4'-P energy: -88.887
tors. eta vs tors. theta energy: -156.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1304.077857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.077857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.077857 (E_RNA)
where:
Base-Base interactions energy: -785.318
where: short stacking energy: -388.765
Base-Backbone interact. energy: -0.332
local terms energy: -518.427843
where:
bonds (distance) C4'-P energy: -115.646
bonds (distance) P-C4' energy: -133.048
flat angles C4'-P-C4' energy: -112.545
flat angles P-C4'-P energy: -78.687
tors. eta vs tors. theta energy: -78.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1033.581614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.581614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.581614 (E_RNA)
where:
Base-Base interactions energy: -605.395
where: short stacking energy: -332.808
Base-Backbone interact. energy: -1.570
local terms energy: -426.616319
where:
bonds (distance) C4'-P energy: -103.811
bonds (distance) P-C4' energy: -102.648
flat angles C4'-P-C4' energy: -108.872
flat angles P-C4'-P energy: -68.286
tors. eta vs tors. theta energy: -43.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -797.438707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.438707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.438707 (E_RNA)
where:
Base-Base interactions energy: -423.402
where: short stacking energy: -257.430
Base-Backbone interact. energy: -1.559
local terms energy: -372.477752
where:
bonds (distance) C4'-P energy: -98.731
bonds (distance) P-C4' energy: -124.129
flat angles C4'-P-C4' energy: -97.711
flat angles P-C4'-P energy: -49.409
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2671.462250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.462250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.462250 (E_RNA)
where:
Base-Base interactions energy: -1851.595
where: short stacking energy: -828.083
Base-Backbone interact. energy: 2.777
local terms energy: -822.643808
where:
bonds (distance) C4'-P energy: -125.370
bonds (distance) P-C4' energy: -151.117
flat angles C4'-P-C4' energy: -167.257
flat angles P-C4'-P energy: -126.441
tors. eta vs tors. theta energy: -252.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2590.150218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.150218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.150218 (E_RNA)
where:
Base-Base interactions energy: -1811.227
where: short stacking energy: -778.897
Base-Backbone interact. energy: -0.092
local terms energy: -778.830732
where:
bonds (distance) C4'-P energy: -135.214
bonds (distance) P-C4' energy: -140.288
flat angles C4'-P-C4' energy: -167.380
flat angles P-C4'-P energy: -103.529
tors. eta vs tors. theta energy: -232.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2389.987140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.987140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.987140 (E_RNA)
where:
Base-Base interactions energy: -1658.497
where: short stacking energy: -676.320
Base-Backbone interact. energy: -2.895
local terms energy: -728.595746
where:
bonds (distance) C4'-P energy: -137.456
bonds (distance) P-C4' energy: -130.707
flat angles C4'-P-C4' energy: -159.978
flat angles P-C4'-P energy: -106.267
tors. eta vs tors. theta energy: -194.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2305.407222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.407222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.407222 (E_RNA)
where:
Base-Base interactions energy: -1596.170
where: short stacking energy: -672.010
Base-Backbone interact. energy: -2.707
local terms energy: -706.530120
where:
bonds (distance) C4'-P energy: -121.417
bonds (distance) P-C4' energy: -136.161
flat angles C4'-P-C4' energy: -153.683
flat angles P-C4'-P energy: -96.913
tors. eta vs tors. theta energy: -198.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2277.719589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.719589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.719589 (E_RNA)
where:
Base-Base interactions energy: -1576.542
where: short stacking energy: -665.468
Base-Backbone interact. energy: -0.856
local terms energy: -700.321498
where:
bonds (distance) C4'-P energy: -132.521
bonds (distance) P-C4' energy: -140.291
flat angles C4'-P-C4' energy: -133.745
flat angles P-C4'-P energy: -104.673
tors. eta vs tors. theta energy: -189.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1996.619560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.619560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.619560 (E_RNA)
where:
Base-Base interactions energy: -1384.836
where: short stacking energy: -578.306
Base-Backbone interact. energy: -1.501
local terms energy: -610.283009
where:
bonds (distance) C4'-P energy: -129.721
bonds (distance) P-C4' energy: -116.516
flat angles C4'-P-C4' energy: -125.128
flat angles P-C4'-P energy: -89.338
tors. eta vs tors. theta energy: -149.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1918.797053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.797053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.797053 (E_RNA)
where:
Base-Base interactions energy: -1282.799
where: short stacking energy: -591.871
Base-Backbone interact. energy: 0.766
local terms energy: -636.764122
where:
bonds (distance) C4'-P energy: -129.578
bonds (distance) P-C4' energy: -142.149
flat angles C4'-P-C4' energy: -123.160
flat angles P-C4'-P energy: -94.258
tors. eta vs tors. theta energy: -147.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1395.586151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.586151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.586151 (E_RNA)
where:
Base-Base interactions energy: -898.699
where: short stacking energy: -443.093
Base-Backbone interact. energy: 3.313
local terms energy: -500.200736
where:
bonds (distance) C4'-P energy: -88.359
bonds (distance) P-C4' energy: -129.043
flat angles C4'-P-C4' energy: -120.806
flat angles P-C4'-P energy: -77.680
tors. eta vs tors. theta energy: -84.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -952.712665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.712665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.712665 (E_RNA)
where:
Base-Base interactions energy: -508.742
where: short stacking energy: -276.241
Base-Backbone interact. energy: -0.601
local terms energy: -443.370226
where:
bonds (distance) C4'-P energy: -133.067
bonds (distance) P-C4' energy: -134.262
flat angles C4'-P-C4' energy: -110.346
flat angles P-C4'-P energy: -52.741
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -836.594515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.594515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.594515 (E_RNA)
where:
Base-Base interactions energy: -441.220
where: short stacking energy: -268.630
Base-Backbone interact. energy: 10.417
local terms energy: -405.791272
where:
bonds (distance) C4'-P energy: -106.479
bonds (distance) P-C4' energy: -103.016
flat angles C4'-P-C4' energy: -101.635
flat angles P-C4'-P energy: -67.819
tors. eta vs tors. theta energy: -26.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2660.724776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.724776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.724776 (E_RNA)
where:
Base-Base interactions energy: -1805.992
where: short stacking energy: -793.597
Base-Backbone interact. energy: -1.944
local terms energy: -852.789116
where:
bonds (distance) C4'-P energy: -143.428
bonds (distance) P-C4' energy: -160.645
flat angles C4'-P-C4' energy: -171.561
flat angles P-C4'-P energy: -128.435
tors. eta vs tors. theta energy: -248.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2568.813036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.813036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.813036 (E_RNA)
where:
Base-Base interactions energy: -1802.931
where: short stacking energy: -738.652
Base-Backbone interact. energy: 0.182
local terms energy: -766.063917
where:
bonds (distance) C4'-P energy: -133.310
bonds (distance) P-C4' energy: -139.749
flat angles C4'-P-C4' energy: -165.031
flat angles P-C4'-P energy: -106.993
tors. eta vs tors. theta energy: -220.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2379.726207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.726207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.726207 (E_RNA)
where:
Base-Base interactions energy: -1632.428
where: short stacking energy: -696.219
Base-Backbone interact. energy: 0.736
local terms energy: -748.034284
where:
bonds (distance) C4'-P energy: -138.895
bonds (distance) P-C4' energy: -133.811
flat angles C4'-P-C4' energy: -163.480
flat angles P-C4'-P energy: -102.165
tors. eta vs tors. theta energy: -209.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2323.441964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.441964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.441964 (E_RNA)
where:
Base-Base interactions energy: -1618.181
where: short stacking energy: -677.127
Base-Backbone interact. energy: -1.022
local terms energy: -704.238547
where:
bonds (distance) C4'-P energy: -127.727
bonds (distance) P-C4' energy: -126.247
flat angles C4'-P-C4' energy: -146.021
flat angles P-C4'-P energy: -101.974
tors. eta vs tors. theta energy: -202.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2243.470555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.470555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.470555 (E_RNA)
where:
Base-Base interactions energy: -1522.385
where: short stacking energy: -654.847
Base-Backbone interact. energy: -1.742
local terms energy: -719.343413
where:
bonds (distance) C4'-P energy: -117.866
bonds (distance) P-C4' energy: -151.407
flat angles C4'-P-C4' energy: -157.566
flat angles P-C4'-P energy: -113.959
tors. eta vs tors. theta energy: -178.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2026.394478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.394478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.394478 (E_RNA)
where:
Base-Base interactions energy: -1370.055
where: short stacking energy: -588.129
Base-Backbone interact. energy: -1.891
local terms energy: -654.449119
where:
bonds (distance) C4'-P energy: -126.207
bonds (distance) P-C4' energy: -120.082
flat angles C4'-P-C4' energy: -151.324
flat angles P-C4'-P energy: -94.807
tors. eta vs tors. theta energy: -162.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1979.850698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.850698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.850698 (E_RNA)
where:
Base-Base interactions energy: -1355.279
where: short stacking energy: -587.963
Base-Backbone interact. energy: -0.790
local terms energy: -623.781441
where:
bonds (distance) C4'-P energy: -114.954
bonds (distance) P-C4' energy: -117.491
flat angles C4'-P-C4' energy: -123.589
flat angles P-C4'-P energy: -98.779
tors. eta vs tors. theta energy: -168.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1334.978394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.978394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.978394 (E_RNA)
where:
Base-Base interactions energy: -815.436
where: short stacking energy: -396.509
Base-Backbone interact. energy: 1.067
local terms energy: -520.609419
where:
bonds (distance) C4'-P energy: -128.900
bonds (distance) P-C4' energy: -116.666
flat angles C4'-P-C4' energy: -123.028
flat angles P-C4'-P energy: -83.713
tors. eta vs tors. theta energy: -68.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -958.518147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.518147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.518147 (E_RNA)
where:
Base-Base interactions energy: -498.308
where: short stacking energy: -266.734
Base-Backbone interact. energy: -1.258
local terms energy: -458.952215
where:
bonds (distance) C4'-P energy: -122.895
bonds (distance) P-C4' energy: -125.015
flat angles C4'-P-C4' energy: -115.241
flat angles P-C4'-P energy: -54.460
tors. eta vs tors. theta energy: -41.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -820.083528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.083528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.083528 (E_RNA)
where:
Base-Base interactions energy: -418.189
where: short stacking energy: -229.327
Base-Backbone interact. energy: 1.250
local terms energy: -403.144010
where:
bonds (distance) C4'-P energy: -120.484
bonds (distance) P-C4' energy: -129.347
flat angles C4'-P-C4' energy: -103.325
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: 2.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2648.180894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.180894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.180894 (E_RNA)
where:
Base-Base interactions energy: -1832.634
where: short stacking energy: -818.183
Base-Backbone interact. energy: -3.210
local terms energy: -812.336926
where:
bonds (distance) C4'-P energy: -122.091
bonds (distance) P-C4' energy: -154.028
flat angles C4'-P-C4' energy: -183.178
flat angles P-C4'-P energy: -101.029
tors. eta vs tors. theta energy: -252.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2618.912321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.912321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.912321 (E_RNA)
where:
Base-Base interactions energy: -1819.905
where: short stacking energy: -754.406
Base-Backbone interact. energy: -0.236
local terms energy: -798.771158
where:
bonds (distance) C4'-P energy: -152.269
bonds (distance) P-C4' energy: -139.203
flat angles C4'-P-C4' energy: -172.514
flat angles P-C4'-P energy: -104.533
tors. eta vs tors. theta energy: -230.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2351.946289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.946289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.946289 (E_RNA)
where:
Base-Base interactions energy: -1625.222
where: short stacking energy: -696.696
Base-Backbone interact. energy: -5.817
local terms energy: -720.907138
where:
bonds (distance) C4'-P energy: -126.518
bonds (distance) P-C4' energy: -133.675
flat angles C4'-P-C4' energy: -154.041
flat angles P-C4'-P energy: -97.722
tors. eta vs tors. theta energy: -208.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2331.568160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.568160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.568160 (E_RNA)
where:
Base-Base interactions energy: -1635.664
where: short stacking energy: -687.060
Base-Backbone interact. energy: -1.199
local terms energy: -694.705140
where:
bonds (distance) C4'-P energy: -129.911
bonds (distance) P-C4' energy: -128.482
flat angles C4'-P-C4' energy: -142.459
flat angles P-C4'-P energy: -104.043
tors. eta vs tors. theta energy: -189.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2254.547829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.547829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.547829 (E_RNA)
where:
Base-Base interactions energy: -1563.026
where: short stacking energy: -663.846
Base-Backbone interact. energy: -2.509
local terms energy: -689.012275
where:
bonds (distance) C4'-P energy: -149.031
bonds (distance) P-C4' energy: -133.868
flat angles C4'-P-C4' energy: -139.387
flat angles P-C4'-P energy: -95.336
tors. eta vs tors. theta energy: -171.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2030.843092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.843092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.843092 (E_RNA)
where:
Base-Base interactions energy: -1428.292
where: short stacking energy: -604.497
Base-Backbone interact. energy: -2.358
local terms energy: -600.193625
where:
bonds (distance) C4'-P energy: -113.324
bonds (distance) P-C4' energy: -125.255
flat angles C4'-P-C4' energy: -131.962
flat angles P-C4'-P energy: -72.597
tors. eta vs tors. theta energy: -157.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1903.431395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.431395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.431395 (E_RNA)
where:
Base-Base interactions energy: -1283.645
where: short stacking energy: -559.782
Base-Backbone interact. energy: 0.028
local terms energy: -619.813567
where:
bonds (distance) C4'-P energy: -122.368
bonds (distance) P-C4' energy: -113.862
flat angles C4'-P-C4' energy: -150.578
flat angles P-C4'-P energy: -82.459
tors. eta vs tors. theta energy: -150.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1235.642065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.642065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.642065 (E_RNA)
where:
Base-Base interactions energy: -722.349
where: short stacking energy: -355.443
Base-Backbone interact. energy: -1.150
local terms energy: -512.143467
where:
bonds (distance) C4'-P energy: -121.679
bonds (distance) P-C4' energy: -127.716
flat angles C4'-P-C4' energy: -116.838
flat angles P-C4'-P energy: -72.178
tors. eta vs tors. theta energy: -73.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -968.657531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.657531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.657531 (E_RNA)
where:
Base-Base interactions energy: -512.412
where: short stacking energy: -280.619
Base-Backbone interact. energy: -4.036
local terms energy: -452.209677
where:
bonds (distance) C4'-P energy: -103.557
bonds (distance) P-C4' energy: -134.347
flat angles C4'-P-C4' energy: -109.595
flat angles P-C4'-P energy: -63.508
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -799.004123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.004123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.004123 (E_RNA)
where:
Base-Base interactions energy: -385.625
where: short stacking energy: -200.181
Base-Backbone interact. energy: -2.356
local terms energy: -411.023393
where:
bonds (distance) C4'-P energy: -123.870
bonds (distance) P-C4' energy: -120.975
flat angles C4'-P-C4' energy: -108.875
flat angles P-C4'-P energy: -57.493
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2642.968617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.968617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.968617 (E_RNA)
where:
Base-Base interactions energy: -1808.231
where: short stacking energy: -797.606
Base-Backbone interact. energy: -1.428
local terms energy: -833.310436
where:
bonds (distance) C4'-P energy: -153.044
bonds (distance) P-C4' energy: -148.785
flat angles C4'-P-C4' energy: -167.119
flat angles P-C4'-P energy: -124.154
tors. eta vs tors. theta energy: -240.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2578.218069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.218069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.218069 (E_RNA)
where:
Base-Base interactions energy: -1788.567
where: short stacking energy: -769.638
Base-Backbone interact. energy: -3.656
local terms energy: -785.995183
where:
bonds (distance) C4'-P energy: -141.813
bonds (distance) P-C4' energy: -148.177
flat angles C4'-P-C4' energy: -155.236
flat angles P-C4'-P energy: -106.415
tors. eta vs tors. theta energy: -234.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2350.540398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.540398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.540398 (E_RNA)
where:
Base-Base interactions energy: -1592.119
where: short stacking energy: -698.798
Base-Backbone interact. energy: 2.243
local terms energy: -760.663513
where:
bonds (distance) C4'-P energy: -138.312
bonds (distance) P-C4' energy: -145.003
flat angles C4'-P-C4' energy: -159.017
flat angles P-C4'-P energy: -103.810
tors. eta vs tors. theta energy: -214.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2271.756053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.756053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.756053 (E_RNA)
where:
Base-Base interactions energy: -1581.176
where: short stacking energy: -674.652
Base-Backbone interact. energy: -1.535
local terms energy: -689.044758
where:
bonds (distance) C4'-P energy: -123.147
bonds (distance) P-C4' energy: -137.235
flat angles C4'-P-C4' energy: -153.685
flat angles P-C4'-P energy: -92.681
tors. eta vs tors. theta energy: -182.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2246.806380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.806380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.806380 (E_RNA)
where:
Base-Base interactions energy: -1559.978
where: short stacking energy: -654.324
Base-Backbone interact. energy: -4.338
local terms energy: -682.490606
where:
bonds (distance) C4'-P energy: -129.183
bonds (distance) P-C4' energy: -132.296
flat angles C4'-P-C4' energy: -137.079
flat angles P-C4'-P energy: -87.871
tors. eta vs tors. theta energy: -196.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2047.842130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.842130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.842130 (E_RNA)
where:
Base-Base interactions energy: -1393.848
where: short stacking energy: -598.880
Base-Backbone interact. energy: -0.943
local terms energy: -653.051537
where:
bonds (distance) C4'-P energy: -125.176
bonds (distance) P-C4' energy: -128.144
flat angles C4'-P-C4' energy: -134.898
flat angles P-C4'-P energy: -94.943
tors. eta vs tors. theta energy: -169.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1880.018463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.018463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.018463 (E_RNA)
where:
Base-Base interactions energy: -1253.490
where: short stacking energy: -565.681
Base-Backbone interact. energy: -0.021
local terms energy: -626.506992
where:
bonds (distance) C4'-P energy: -120.210
bonds (distance) P-C4' energy: -126.323
flat angles C4'-P-C4' energy: -161.513
flat angles P-C4'-P energy: -71.446
tors. eta vs tors. theta energy: -147.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1271.773492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.773492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.773492 (E_RNA)
where:
Base-Base interactions energy: -779.120
where: short stacking energy: -393.813
Base-Backbone interact. energy: 2.827
local terms energy: -495.480894
where:
bonds (distance) C4'-P energy: -110.463
bonds (distance) P-C4' energy: -122.249
flat angles C4'-P-C4' energy: -127.286
flat angles P-C4'-P energy: -68.414
tors. eta vs tors. theta energy: -67.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -960.256939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.256939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.256939 (E_RNA)
where:
Base-Base interactions energy: -550.658
where: short stacking energy: -304.274
Base-Backbone interact. energy: 3.795
local terms energy: -413.393749
where:
bonds (distance) C4'-P energy: -132.728
bonds (distance) P-C4' energy: -113.189
flat angles C4'-P-C4' energy: -110.295
flat angles P-C4'-P energy: -32.869
tors. eta vs tors. theta energy: -24.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -814.977400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.977400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.977400 (E_RNA)
where:
Base-Base interactions energy: -409.760
where: short stacking energy: -239.294
Base-Backbone interact. energy: -3.734
local terms energy: -401.482828
where:
bonds (distance) C4'-P energy: -119.987
bonds (distance) P-C4' energy: -114.715
flat angles C4'-P-C4' energy: -93.150
flat angles P-C4'-P energy: -63.807
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2622.624317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.624317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.624317 (E_RNA)
where:
Base-Base interactions energy: -1811.797
where: short stacking energy: -782.658
Base-Backbone interact. energy: -1.330
local terms energy: -809.497361
where:
bonds (distance) C4'-P energy: -146.821
bonds (distance) P-C4' energy: -153.482
flat angles C4'-P-C4' energy: -166.742
flat angles P-C4'-P energy: -110.653
tors. eta vs tors. theta energy: -231.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2571.273910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.273910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.273910 (E_RNA)
where:
Base-Base interactions energy: -1801.536
where: short stacking energy: -753.192
Base-Backbone interact. energy: -1.845
local terms energy: -767.893364
where:
bonds (distance) C4'-P energy: -130.201
bonds (distance) P-C4' energy: -152.962
flat angles C4'-P-C4' energy: -153.752
flat angles P-C4'-P energy: -107.192
tors. eta vs tors. theta energy: -223.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2373.213213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.213213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.213213 (E_RNA)
where:
Base-Base interactions energy: -1625.999
where: short stacking energy: -695.864
Base-Backbone interact. energy: 1.284
local terms energy: -748.498055
where:
bonds (distance) C4'-P energy: -132.290
bonds (distance) P-C4' energy: -150.156
flat angles C4'-P-C4' energy: -157.801
flat angles P-C4'-P energy: -109.541
tors. eta vs tors. theta energy: -198.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2325.273978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.273978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.273978 (E_RNA)
where:
Base-Base interactions energy: -1613.516
where: short stacking energy: -707.083
Base-Backbone interact. energy: 2.367
local terms energy: -714.125360
where:
bonds (distance) C4'-P energy: -129.520
bonds (distance) P-C4' energy: -130.547
flat angles C4'-P-C4' energy: -161.645
flat angles P-C4'-P energy: -90.711
tors. eta vs tors. theta energy: -201.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2214.302060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.302060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.302060 (E_RNA)
where:
Base-Base interactions energy: -1526.938
where: short stacking energy: -660.040
Base-Backbone interact. energy: -2.153
local terms energy: -685.211159
where:
bonds (distance) C4'-P energy: -123.294
bonds (distance) P-C4' energy: -139.696
flat angles C4'-P-C4' energy: -148.733
flat angles P-C4'-P energy: -98.272
tors. eta vs tors. theta energy: -175.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2031.633029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.633029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.633029 (E_RNA)
where:
Base-Base interactions energy: -1359.863
where: short stacking energy: -569.236
Base-Backbone interact. energy: -0.846
local terms energy: -670.924691
where:
bonds (distance) C4'-P energy: -138.293
bonds (distance) P-C4' energy: -145.445
flat angles C4'-P-C4' energy: -153.984
flat angles P-C4'-P energy: -93.680
tors. eta vs tors. theta energy: -139.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1834.054768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.054768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.054768 (E_RNA)
where:
Base-Base interactions energy: -1223.932
where: short stacking energy: -542.985
Base-Backbone interact. energy: -1.855
local terms energy: -608.267674
where:
bonds (distance) C4'-P energy: -119.129
bonds (distance) P-C4' energy: -117.838
flat angles C4'-P-C4' energy: -145.501
flat angles P-C4'-P energy: -83.311
tors. eta vs tors. theta energy: -142.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1257.218838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.218838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.218838 (E_RNA)
where:
Base-Base interactions energy: -739.934
where: short stacking energy: -354.094
Base-Backbone interact. energy: 0.948
local terms energy: -518.232644
where:
bonds (distance) C4'-P energy: -118.958
bonds (distance) P-C4' energy: -132.821
flat angles C4'-P-C4' energy: -134.148
flat angles P-C4'-P energy: -80.583
tors. eta vs tors. theta energy: -51.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -982.761464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.761464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.761464 (E_RNA)
where:
Base-Base interactions energy: -556.000
where: short stacking energy: -267.364
Base-Backbone interact. energy: 0.104
local terms energy: -426.865613
where:
bonds (distance) C4'-P energy: -109.960
bonds (distance) P-C4' energy: -129.155
flat angles C4'-P-C4' energy: -108.875
flat angles P-C4'-P energy: -49.463
tors. eta vs tors. theta energy: -29.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -797.441370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.441370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.441370 (E_RNA)
where:
Base-Base interactions energy: -385.038
where: short stacking energy: -221.789
Base-Backbone interact. energy: -1.514
local terms energy: -410.889207
where:
bonds (distance) C4'-P energy: -109.880
bonds (distance) P-C4' energy: -112.054
flat angles C4'-P-C4' energy: -127.453
flat angles P-C4'-P energy: -66.788
tors. eta vs tors. theta energy: 5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2656.609826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.609826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.609826 (E_RNA)
where:
Base-Base interactions energy: -1850.550
where: short stacking energy: -806.873
Base-Backbone interact. energy: -1.965
local terms energy: -804.094470
where:
bonds (distance) C4'-P energy: -128.468
bonds (distance) P-C4' energy: -154.210
flat angles C4'-P-C4' energy: -162.605
flat angles P-C4'-P energy: -115.278
tors. eta vs tors. theta energy: -243.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2562.021057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.021057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.021057 (E_RNA)
where:
Base-Base interactions energy: -1766.504
where: short stacking energy: -752.812
Base-Backbone interact. energy: -3.053
local terms energy: -792.464265
where:
bonds (distance) C4'-P energy: -123.343
bonds (distance) P-C4' energy: -144.577
flat angles C4'-P-C4' energy: -164.988
flat angles P-C4'-P energy: -122.115
tors. eta vs tors. theta energy: -237.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2390.719444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.719444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.719444 (E_RNA)
where:
Base-Base interactions energy: -1645.130
where: short stacking energy: -719.465
Base-Backbone interact. energy: -4.022
local terms energy: -741.567406
where:
bonds (distance) C4'-P energy: -136.397
bonds (distance) P-C4' energy: -138.903
flat angles C4'-P-C4' energy: -145.388
flat angles P-C4'-P energy: -113.380
tors. eta vs tors. theta energy: -207.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2392.821220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.821220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.821220 (E_RNA)
where:
Base-Base interactions energy: -1684.915
where: short stacking energy: -707.764
Base-Backbone interact. energy: -1.114
local terms energy: -706.792635
where:
bonds (distance) C4'-P energy: -133.784
bonds (distance) P-C4' energy: -121.508
flat angles C4'-P-C4' energy: -160.248
flat angles P-C4'-P energy: -85.875
tors. eta vs tors. theta energy: -205.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2208.422706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.422706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.422706 (E_RNA)
where:
Base-Base interactions energy: -1514.102
where: short stacking energy: -659.320
Base-Backbone interact. energy: -1.565
local terms energy: -692.755666
where:
bonds (distance) C4'-P energy: -113.474
bonds (distance) P-C4' energy: -131.213
flat angles C4'-P-C4' energy: -154.758
flat angles P-C4'-P energy: -98.455
tors. eta vs tors. theta energy: -194.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2047.207249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.207249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.207249 (E_RNA)
where:
Base-Base interactions energy: -1377.555
where: short stacking energy: -590.053
Base-Backbone interact. energy: -0.709
local terms energy: -668.943782
where:
bonds (distance) C4'-P energy: -119.495
bonds (distance) P-C4' energy: -144.430
flat angles C4'-P-C4' energy: -147.438
flat angles P-C4'-P energy: -103.800
tors. eta vs tors. theta energy: -153.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1791.468142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.468142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.468142 (E_RNA)
where:
Base-Base interactions energy: -1167.773
where: short stacking energy: -551.495
Base-Backbone interact. energy: -1.291
local terms energy: -622.404825
where:
bonds (distance) C4'-P energy: -105.850
bonds (distance) P-C4' energy: -146.469
flat angles C4'-P-C4' energy: -135.475
flat angles P-C4'-P energy: -80.502
tors. eta vs tors. theta energy: -154.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1232.294520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.294520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.294520 (E_RNA)
where:
Base-Base interactions energy: -725.038
where: short stacking energy: -381.312
Base-Backbone interact. energy: 1.064
local terms energy: -508.320373
where:
bonds (distance) C4'-P energy: -106.890
bonds (distance) P-C4' energy: -136.762
flat angles C4'-P-C4' energy: -137.385
flat angles P-C4'-P energy: -67.313
tors. eta vs tors. theta energy: -59.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -977.972043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.972043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.972043 (E_RNA)
where:
Base-Base interactions energy: -543.803
where: short stacking energy: -281.943
Base-Backbone interact. energy: -2.549
local terms energy: -431.620748
where:
bonds (distance) C4'-P energy: -121.130
bonds (distance) P-C4' energy: -125.948
flat angles C4'-P-C4' energy: -91.291
flat angles P-C4'-P energy: -71.819
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -839.592856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.592856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.592856 (E_RNA)
where:
Base-Base interactions energy: -443.292
where: short stacking energy: -217.142
Base-Backbone interact. energy: -2.481
local terms energy: -393.820199
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -135.060
flat angles C4'-P-C4' energy: -98.282
flat angles P-C4'-P energy: -54.544
tors. eta vs tors. theta energy: 5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2680.778709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.778709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.778709 (E_RNA)
where:
Base-Base interactions energy: -1835.645
where: short stacking energy: -802.231
Base-Backbone interact. energy: -3.572
local terms energy: -841.561692
where:
bonds (distance) C4'-P energy: -150.559
bonds (distance) P-C4' energy: -159.772
flat angles C4'-P-C4' energy: -173.614
flat angles P-C4'-P energy: -117.350
tors. eta vs tors. theta energy: -240.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2575.045902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.045902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.045902 (E_RNA)
where:
Base-Base interactions energy: -1775.558
where: short stacking energy: -769.089
Base-Backbone interact. energy: -2.231
local terms energy: -797.257334
where:
bonds (distance) C4'-P energy: -151.893
bonds (distance) P-C4' energy: -140.960
flat angles C4'-P-C4' energy: -156.421
flat angles P-C4'-P energy: -117.401
tors. eta vs tors. theta energy: -230.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2410.622928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.622928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.622928 (E_RNA)
where:
Base-Base interactions energy: -1648.483
where: short stacking energy: -700.582
Base-Backbone interact. energy: -1.987
local terms energy: -760.153032
where:
bonds (distance) C4'-P energy: -148.377
bonds (distance) P-C4' energy: -138.394
flat angles C4'-P-C4' energy: -146.535
flat angles P-C4'-P energy: -108.395
tors. eta vs tors. theta energy: -218.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2331.859863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.859863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.859863 (E_RNA)
where:
Base-Base interactions energy: -1618.388
where: short stacking energy: -710.011
Base-Backbone interact. energy: -3.653
local terms energy: -709.818961
where:
bonds (distance) C4'-P energy: -129.416
bonds (distance) P-C4' energy: -126.185
flat angles C4'-P-C4' energy: -148.057
flat angles P-C4'-P energy: -116.492
tors. eta vs tors. theta energy: -189.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2236.939287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.939287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.939287 (E_RNA)
where:
Base-Base interactions energy: -1539.004
where: short stacking energy: -682.571
Base-Backbone interact. energy: 4.179
local terms energy: -702.113588
where:
bonds (distance) C4'-P energy: -110.662
bonds (distance) P-C4' energy: -134.147
flat angles C4'-P-C4' energy: -144.065
flat angles P-C4'-P energy: -109.356
tors. eta vs tors. theta energy: -203.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -2064.213960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.213960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.213960 (E_RNA)
where:
Base-Base interactions energy: -1401.851
where: short stacking energy: -604.943
Base-Backbone interact. energy: -2.394
local terms energy: -659.969015
where:
bonds (distance) C4'-P energy: -132.194
bonds (distance) P-C4' energy: -118.922
flat angles C4'-P-C4' energy: -151.120
flat angles P-C4'-P energy: -84.305
tors. eta vs tors. theta energy: -173.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1838.247670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.247670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.247670 (E_RNA)
where:
Base-Base interactions energy: -1232.833
where: short stacking energy: -548.109
Base-Backbone interact. energy: -1.353
local terms energy: -604.061791
where:
bonds (distance) C4'-P energy: -116.071
bonds (distance) P-C4' energy: -124.936
flat angles C4'-P-C4' energy: -146.001
flat angles P-C4'-P energy: -84.106
tors. eta vs tors. theta energy: -132.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1227.284411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.284411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.284411 (E_RNA)
where:
Base-Base interactions energy: -770.426
where: short stacking energy: -338.538
Base-Backbone interact. energy: 3.456
local terms energy: -460.314452
where:
bonds (distance) C4'-P energy: -135.677
bonds (distance) P-C4' energy: -109.363
flat angles C4'-P-C4' energy: -126.848
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -39.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -916.368824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.368824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.368824 (E_RNA)
where:
Base-Base interactions energy: -503.463
where: short stacking energy: -276.046
Base-Backbone interact. energy: -2.082
local terms energy: -410.824214
where:
bonds (distance) C4'-P energy: -108.864
bonds (distance) P-C4' energy: -118.914
flat angles C4'-P-C4' energy: -97.568
flat angles P-C4'-P energy: -63.680
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -894.658865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.658865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.658865 (E_RNA)
where:
Base-Base interactions energy: -471.084
where: short stacking energy: -274.970
Base-Backbone interact. energy: 1.672
local terms energy: -425.246967
where:
bonds (distance) C4'-P energy: -100.583
bonds (distance) P-C4' energy: -128.472
flat angles C4'-P-C4' energy: -113.560
flat angles P-C4'-P energy: -75.742
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2636.331522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.331522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.331522 (E_RNA)
where:
Base-Base interactions energy: -1804.654
where: short stacking energy: -817.697
Base-Backbone interact. energy: -2.618
local terms energy: -829.059809
where:
bonds (distance) C4'-P energy: -132.015
bonds (distance) P-C4' energy: -145.493
flat angles C4'-P-C4' energy: -182.685
flat angles P-C4'-P energy: -122.381
tors. eta vs tors. theta energy: -246.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2577.950308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.950308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.950308 (E_RNA)
where:
Base-Base interactions energy: -1809.984
where: short stacking energy: -749.374
Base-Backbone interact. energy: -3.495
local terms energy: -764.471845
where:
bonds (distance) C4'-P energy: -134.826
bonds (distance) P-C4' energy: -132.745
flat angles C4'-P-C4' energy: -155.016
flat angles P-C4'-P energy: -113.491
tors. eta vs tors. theta energy: -228.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2397.069783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.069783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.069783 (E_RNA)
where:
Base-Base interactions energy: -1630.988
where: short stacking energy: -729.168
Base-Backbone interact. energy: -2.627
local terms energy: -763.454655
where:
bonds (distance) C4'-P energy: -145.610
bonds (distance) P-C4' energy: -138.555
flat angles C4'-P-C4' energy: -166.762
flat angles P-C4'-P energy: -95.272
tors. eta vs tors. theta energy: -217.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2328.894316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.894316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.894316 (E_RNA)
where:
Base-Base interactions energy: -1603.854
where: short stacking energy: -672.587
Base-Backbone interact. energy: -0.344
local terms energy: -724.696457
where:
bonds (distance) C4'-P energy: -122.400
bonds (distance) P-C4' energy: -154.360
flat angles C4'-P-C4' energy: -168.028
flat angles P-C4'-P energy: -92.565
tors. eta vs tors. theta energy: -187.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2184.317968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.317968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.317968 (E_RNA)
where:
Base-Base interactions energy: -1486.886
where: short stacking energy: -662.062
Base-Backbone interact. energy: 0.142
local terms energy: -697.573607
where:
bonds (distance) C4'-P energy: -132.624
bonds (distance) P-C4' energy: -119.533
flat angles C4'-P-C4' energy: -158.552
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -181.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2055.505915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.505915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.505915 (E_RNA)
where:
Base-Base interactions energy: -1398.209
where: short stacking energy: -586.327
Base-Backbone interact. energy: -3.312
local terms energy: -653.985303
where:
bonds (distance) C4'-P energy: -140.022
bonds (distance) P-C4' energy: -139.648
flat angles C4'-P-C4' energy: -147.060
flat angles P-C4'-P energy: -72.205
tors. eta vs tors. theta energy: -155.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1806.979158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.979158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.979158 (E_RNA)
where:
Base-Base interactions energy: -1192.126
where: short stacking energy: -526.524
Base-Backbone interact. energy: -1.711
local terms energy: -613.142344
where:
bonds (distance) C4'-P energy: -118.144
bonds (distance) P-C4' energy: -117.634
flat angles C4'-P-C4' energy: -140.718
flat angles P-C4'-P energy: -90.986
tors. eta vs tors. theta energy: -145.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1229.159762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.159762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.159762 (E_RNA)
where:
Base-Base interactions energy: -759.945
where: short stacking energy: -379.314
Base-Backbone interact. energy: 0.632
local terms energy: -469.847194
where:
bonds (distance) C4'-P energy: -123.117
bonds (distance) P-C4' energy: -111.301
flat angles C4'-P-C4' energy: -109.090
flat angles P-C4'-P energy: -65.855
tors. eta vs tors. theta energy: -60.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -940.382109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.382109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.382109 (E_RNA)
where:
Base-Base interactions energy: -501.985
where: short stacking energy: -254.975
Base-Backbone interact. energy: -2.023
local terms energy: -436.374766
where:
bonds (distance) C4'-P energy: -123.721
bonds (distance) P-C4' energy: -128.622
flat angles C4'-P-C4' energy: -101.346
flat angles P-C4'-P energy: -63.254
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -860.017933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.017933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.017933 (E_RNA)
where:
Base-Base interactions energy: -456.946
where: short stacking energy: -239.928
Base-Backbone interact. energy: 7.665
local terms energy: -410.736882
where:
bonds (distance) C4'-P energy: -96.605
bonds (distance) P-C4' energy: -130.135
flat angles C4'-P-C4' energy: -108.189
flat angles P-C4'-P energy: -76.164
tors. eta vs tors. theta energy: 0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2630.796212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.796212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.796212 (E_RNA)
where:
Base-Base interactions energy: -1792.048
where: short stacking energy: -775.721
Base-Backbone interact. energy: -1.002
local terms energy: -837.746558
where:
bonds (distance) C4'-P energy: -154.097
bonds (distance) P-C4' energy: -160.511
flat angles C4'-P-C4' energy: -175.739
flat angles P-C4'-P energy: -109.402
tors. eta vs tors. theta energy: -237.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2577.843698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.843698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.843698 (E_RNA)
where:
Base-Base interactions energy: -1803.289
where: short stacking energy: -746.572
Base-Backbone interact. energy: -4.554
local terms energy: -770.000981
where:
bonds (distance) C4'-P energy: -137.976
bonds (distance) P-C4' energy: -129.349
flat angles C4'-P-C4' energy: -161.005
flat angles P-C4'-P energy: -118.171
tors. eta vs tors. theta energy: -223.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2421.858122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.858122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.858122 (E_RNA)
where:
Base-Base interactions energy: -1655.668
where: short stacking energy: -699.517
Base-Backbone interact. energy: -5.731
local terms energy: -760.459934
where:
bonds (distance) C4'-P energy: -129.466
bonds (distance) P-C4' energy: -128.777
flat angles C4'-P-C4' energy: -171.120
flat angles P-C4'-P energy: -115.301
tors. eta vs tors. theta energy: -215.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2352.089641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.089641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.089641 (E_RNA)
where:
Base-Base interactions energy: -1632.022
where: short stacking energy: -669.210
Base-Backbone interact. energy: -0.570
local terms energy: -719.496914
where:
bonds (distance) C4'-P energy: -139.975
bonds (distance) P-C4' energy: -138.811
flat angles C4'-P-C4' energy: -149.811
flat angles P-C4'-P energy: -104.058
tors. eta vs tors. theta energy: -186.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2149.999172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.999172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.999172 (E_RNA)
where:
Base-Base interactions energy: -1476.528
where: short stacking energy: -621.859
Base-Backbone interact. energy: -3.647
local terms energy: -669.824699
where:
bonds (distance) C4'-P energy: -132.595
bonds (distance) P-C4' energy: -114.077
flat angles C4'-P-C4' energy: -142.762
flat angles P-C4'-P energy: -108.403
tors. eta vs tors. theta energy: -171.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1997.417902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.417902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.417902 (E_RNA)
where:
Base-Base interactions energy: -1343.515
where: short stacking energy: -561.434
Base-Backbone interact. energy: -2.348
local terms energy: -651.554919
where:
bonds (distance) C4'-P energy: -120.600
bonds (distance) P-C4' energy: -139.444
flat angles C4'-P-C4' energy: -149.353
flat angles P-C4'-P energy: -94.426
tors. eta vs tors. theta energy: -147.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1797.010378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.010378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.010378 (E_RNA)
where:
Base-Base interactions energy: -1209.858
where: short stacking energy: -552.227
Base-Backbone interact. energy: -1.748
local terms energy: -585.404732
where:
bonds (distance) C4'-P energy: -119.914
bonds (distance) P-C4' energy: -119.702
flat angles C4'-P-C4' energy: -134.871
flat angles P-C4'-P energy: -79.689
tors. eta vs tors. theta energy: -131.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1313.638030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.638030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.638030 (E_RNA)
where:
Base-Base interactions energy: -828.021
where: short stacking energy: -380.506
Base-Backbone interact. energy: -0.191
local terms energy: -485.426677
where:
bonds (distance) C4'-P energy: -112.644
bonds (distance) P-C4' energy: -112.573
flat angles C4'-P-C4' energy: -131.594
flat angles P-C4'-P energy: -69.924
tors. eta vs tors. theta energy: -58.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -921.136654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.136654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.136654 (E_RNA)
where:
Base-Base interactions energy: -478.550
where: short stacking energy: -271.650
Base-Backbone interact. energy: 0.331
local terms energy: -442.917920
where:
bonds (distance) C4'-P energy: -131.246
bonds (distance) P-C4' energy: -123.511
flat angles C4'-P-C4' energy: -104.203
flat angles P-C4'-P energy: -67.452
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -848.554536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.554536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.554536 (E_RNA)
where:
Base-Base interactions energy: -457.610
where: short stacking energy: -261.823
Base-Backbone interact. energy: 4.956
local terms energy: -395.900693
where:
bonds (distance) C4'-P energy: -111.840
bonds (distance) P-C4' energy: -114.197
flat angles C4'-P-C4' energy: -103.120
flat angles P-C4'-P energy: -58.707
tors. eta vs tors. theta energy: -8.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2626.244058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.244058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.244058 (E_RNA)
where:
Base-Base interactions energy: -1815.879
where: short stacking energy: -789.458
Base-Backbone interact. energy: 1.363
local terms energy: -811.728144
where:
bonds (distance) C4'-P energy: -140.894
bonds (distance) P-C4' energy: -147.462
flat angles C4'-P-C4' energy: -170.748
flat angles P-C4'-P energy: -117.455
tors. eta vs tors. theta energy: -235.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2609.026263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.026263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.026263 (E_RNA)
where:
Base-Base interactions energy: -1817.096
where: short stacking energy: -771.750
Base-Backbone interact. energy: -0.084
local terms energy: -791.846258
where:
bonds (distance) C4'-P energy: -139.721
bonds (distance) P-C4' energy: -148.684
flat angles C4'-P-C4' energy: -160.323
flat angles P-C4'-P energy: -112.204
tors. eta vs tors. theta energy: -230.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2429.900746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.900746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.900746 (E_RNA)
where:
Base-Base interactions energy: -1695.396
where: short stacking energy: -729.592
Base-Backbone interact. energy: -2.512
local terms energy: -731.992828
where:
bonds (distance) C4'-P energy: -122.071
bonds (distance) P-C4' energy: -131.742
flat angles C4'-P-C4' energy: -157.643
flat angles P-C4'-P energy: -106.343
tors. eta vs tors. theta energy: -214.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2350.577061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.577061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.577061 (E_RNA)
where:
Base-Base interactions energy: -1635.183
where: short stacking energy: -686.331
Base-Backbone interact. energy: -1.689
local terms energy: -713.704934
where:
bonds (distance) C4'-P energy: -124.816
bonds (distance) P-C4' energy: -143.639
flat angles C4'-P-C4' energy: -155.719
flat angles P-C4'-P energy: -92.094
tors. eta vs tors. theta energy: -197.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2194.339395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.339395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.339395 (E_RNA)
where:
Base-Base interactions energy: -1490.446
where: short stacking energy: -630.997
Base-Backbone interact. energy: -1.059
local terms energy: -702.834394
where:
bonds (distance) C4'-P energy: -145.007
bonds (distance) P-C4' energy: -126.883
flat angles C4'-P-C4' energy: -149.463
flat angles P-C4'-P energy: -89.806
tors. eta vs tors. theta energy: -191.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2017.584716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.584716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.584716 (E_RNA)
where:
Base-Base interactions energy: -1381.848
where: short stacking energy: -596.569
Base-Backbone interact. energy: -2.543
local terms energy: -633.193793
where:
bonds (distance) C4'-P energy: -139.251
bonds (distance) P-C4' energy: -125.685
flat angles C4'-P-C4' energy: -132.062
flat angles P-C4'-P energy: -81.499
tors. eta vs tors. theta energy: -154.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1825.361065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.361065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.361065 (E_RNA)
where:
Base-Base interactions energy: -1211.324
where: short stacking energy: -536.093
Base-Backbone interact. energy: -3.319
local terms energy: -610.717947
where:
bonds (distance) C4'-P energy: -114.448
bonds (distance) P-C4' energy: -115.538
flat angles C4'-P-C4' energy: -147.570
flat angles P-C4'-P energy: -88.035
tors. eta vs tors. theta energy: -145.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1352.236958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.236958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.236958 (E_RNA)
where:
Base-Base interactions energy: -853.958
where: short stacking energy: -384.926
Base-Backbone interact. energy: -0.955
local terms energy: -497.324067
where:
bonds (distance) C4'-P energy: -100.001
bonds (distance) P-C4' energy: -127.652
flat angles C4'-P-C4' energy: -118.347
flat angles P-C4'-P energy: -79.074
tors. eta vs tors. theta energy: -72.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -881.808878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.808878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.808878 (E_RNA)
where:
Base-Base interactions energy: -467.120
where: short stacking energy: -251.734
Base-Backbone interact. energy: 0.837
local terms energy: -415.525962
where:
bonds (distance) C4'-P energy: -104.783
bonds (distance) P-C4' energy: -123.764
flat angles C4'-P-C4' energy: -87.497
flat angles P-C4'-P energy: -70.773
tors. eta vs tors. theta energy: -28.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -837.703956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.703956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.703956 (E_RNA)
where:
Base-Base interactions energy: -445.582
where: short stacking energy: -229.720
Base-Backbone interact. energy: 3.063
local terms energy: -395.184644
where:
bonds (distance) C4'-P energy: -125.391
bonds (distance) P-C4' energy: -148.078
flat angles C4'-P-C4' energy: -95.242
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: 1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2624.984205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.984205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.984205 (E_RNA)
where:
Base-Base interactions energy: -1781.594
where: short stacking energy: -813.743
Base-Backbone interact. energy: -2.707
local terms energy: -840.683255
where:
bonds (distance) C4'-P energy: -145.044
bonds (distance) P-C4' energy: -154.465
flat angles C4'-P-C4' energy: -174.476
flat angles P-C4'-P energy: -117.157
tors. eta vs tors. theta energy: -249.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2590.152596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.152596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.152596 (E_RNA)
where:
Base-Base interactions energy: -1806.628
where: short stacking energy: -759.445
Base-Backbone interact. energy: -2.719
local terms energy: -780.806089
where:
bonds (distance) C4'-P energy: -135.792
bonds (distance) P-C4' energy: -143.884
flat angles C4'-P-C4' energy: -161.735
flat angles P-C4'-P energy: -109.046
tors. eta vs tors. theta energy: -230.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2489.059512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.059512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.059512 (E_RNA)
where:
Base-Base interactions energy: -1686.065
where: short stacking energy: -762.319
Base-Backbone interact. energy: 1.177
local terms energy: -804.171422
where:
bonds (distance) C4'-P energy: -138.220
bonds (distance) P-C4' energy: -161.229
flat angles C4'-P-C4' energy: -173.379
flat angles P-C4'-P energy: -106.385
tors. eta vs tors. theta energy: -224.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2353.328854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.328854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.328854 (E_RNA)
where:
Base-Base interactions energy: -1636.773
where: short stacking energy: -676.423
Base-Backbone interact. energy: -4.996
local terms energy: -711.560416
where:
bonds (distance) C4'-P energy: -136.505
bonds (distance) P-C4' energy: -131.562
flat angles C4'-P-C4' energy: -158.010
flat angles P-C4'-P energy: -101.739
tors. eta vs tors. theta energy: -183.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2244.779044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.779044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.779044 (E_RNA)
where:
Base-Base interactions energy: -1544.445
where: short stacking energy: -664.219
Base-Backbone interact. energy: -0.749
local terms energy: -699.585162
where:
bonds (distance) C4'-P energy: -133.799
bonds (distance) P-C4' energy: -127.862
flat angles C4'-P-C4' energy: -160.519
flat angles P-C4'-P energy: -95.576
tors. eta vs tors. theta energy: -181.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -2024.373138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.373138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.373138 (E_RNA)
where:
Base-Base interactions energy: -1363.917
where: short stacking energy: -572.501
Base-Backbone interact. energy: 1.983
local terms energy: -662.439510
where:
bonds (distance) C4'-P energy: -131.217
bonds (distance) P-C4' energy: -144.263
flat angles C4'-P-C4' energy: -132.065
flat angles P-C4'-P energy: -94.153
tors. eta vs tors. theta energy: -160.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1899.538823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.538823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.538823 (E_RNA)
where:
Base-Base interactions energy: -1276.725
where: short stacking energy: -573.145
Base-Backbone interact. energy: -1.374
local terms energy: -621.439351
where:
bonds (distance) C4'-P energy: -114.652
bonds (distance) P-C4' energy: -127.396
flat angles C4'-P-C4' energy: -123.238
flat angles P-C4'-P energy: -89.433
tors. eta vs tors. theta energy: -166.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1410.293025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.293025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.293025 (E_RNA)
where:
Base-Base interactions energy: -867.362
where: short stacking energy: -404.362
Base-Backbone interact. energy: -5.528
local terms energy: -537.403716
where:
bonds (distance) C4'-P energy: -116.543
bonds (distance) P-C4' energy: -125.195
flat angles C4'-P-C4' energy: -136.411
flat angles P-C4'-P energy: -76.138
tors. eta vs tors. theta energy: -83.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -896.823910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.823910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.823910 (E_RNA)
where:
Base-Base interactions energy: -463.703
where: short stacking energy: -257.521
Base-Backbone interact. energy: -4.240
local terms energy: -428.880897
where:
bonds (distance) C4'-P energy: -122.641
bonds (distance) P-C4' energy: -109.728
flat angles C4'-P-C4' energy: -110.699
flat angles P-C4'-P energy: -65.939
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -906.282800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.282800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.282800 (E_RNA)
where:
Base-Base interactions energy: -483.617
where: short stacking energy: -254.606
Base-Backbone interact. energy: 5.384
local terms energy: -428.049897
where:
bonds (distance) C4'-P energy: -111.759
bonds (distance) P-C4' energy: -124.545
flat angles C4'-P-C4' energy: -113.250
flat angles P-C4'-P energy: -58.853
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2600.464592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.464592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.464592 (E_RNA)
where:
Base-Base interactions energy: -1780.862
where: short stacking energy: -800.628
Base-Backbone interact. energy: -2.577
local terms energy: -817.025653
where:
bonds (distance) C4'-P energy: -154.641
bonds (distance) P-C4' energy: -129.519
flat angles C4'-P-C4' energy: -172.352
flat angles P-C4'-P energy: -114.990
tors. eta vs tors. theta energy: -245.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2554.661014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.661014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.661014 (E_RNA)
where:
Base-Base interactions energy: -1774.252
where: short stacking energy: -755.807
Base-Backbone interact. energy: 1.006
local terms energy: -781.414618
where:
bonds (distance) C4'-P energy: -126.014
bonds (distance) P-C4' energy: -147.353
flat angles C4'-P-C4' energy: -167.442
flat angles P-C4'-P energy: -101.749
tors. eta vs tors. theta energy: -238.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2452.450684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.450684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.450684 (E_RNA)
where:
Base-Base interactions energy: -1720.344
where: short stacking energy: -687.187
Base-Backbone interact. energy: -5.112
local terms energy: -726.995357
where:
bonds (distance) C4'-P energy: -127.301
bonds (distance) P-C4' energy: -150.874
flat angles C4'-P-C4' energy: -145.892
flat angles P-C4'-P energy: -109.986
tors. eta vs tors. theta energy: -192.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2414.975137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.975137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.975137 (E_RNA)
where:
Base-Base interactions energy: -1657.951
where: short stacking energy: -727.651
Base-Backbone interact. energy: -2.737
local terms energy: -754.287465
where:
bonds (distance) C4'-P energy: -126.081
bonds (distance) P-C4' energy: -116.623
flat angles C4'-P-C4' energy: -177.952
flat angles P-C4'-P energy: -110.219
tors. eta vs tors. theta energy: -223.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2159.752284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.752284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.752284 (E_RNA)
where:
Base-Base interactions energy: -1490.209
where: short stacking energy: -646.927
Base-Backbone interact. energy: 1.260
local terms energy: -670.803193
where:
bonds (distance) C4'-P energy: -121.539
bonds (distance) P-C4' energy: -131.281
flat angles C4'-P-C4' energy: -142.771
flat angles P-C4'-P energy: -95.463
tors. eta vs tors. theta energy: -179.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2006.683523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.683523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.683523 (E_RNA)
where:
Base-Base interactions energy: -1375.744
where: short stacking energy: -586.043
Base-Backbone interact. energy: -2.616
local terms energy: -628.323339
where:
bonds (distance) C4'-P energy: -105.533
bonds (distance) P-C4' energy: -135.781
flat angles C4'-P-C4' energy: -139.722
flat angles P-C4'-P energy: -76.606
tors. eta vs tors. theta energy: -170.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1907.454182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.454182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.454182 (E_RNA)
where:
Base-Base interactions energy: -1275.324
where: short stacking energy: -560.348
Base-Backbone interact. energy: -0.229
local terms energy: -631.900717
where:
bonds (distance) C4'-P energy: -115.814
bonds (distance) P-C4' energy: -126.171
flat angles C4'-P-C4' energy: -144.387
flat angles P-C4'-P energy: -97.999
tors. eta vs tors. theta energy: -147.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1381.671540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.671540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.671540 (E_RNA)
where:
Base-Base interactions energy: -880.312
where: short stacking energy: -394.729
Base-Backbone interact. energy: 0.735
local terms energy: -502.094468
where:
bonds (distance) C4'-P energy: -133.371
bonds (distance) P-C4' energy: -110.484
flat angles C4'-P-C4' energy: -122.994
flat angles P-C4'-P energy: -71.565
tors. eta vs tors. theta energy: -63.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -952.525771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.525771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.525771 (E_RNA)
where:
Base-Base interactions energy: -535.589
where: short stacking energy: -288.014
Base-Backbone interact. energy: -2.023
local terms energy: -414.913423
where:
bonds (distance) C4'-P energy: -104.806
bonds (distance) P-C4' energy: -133.218
flat angles C4'-P-C4' energy: -101.639
flat angles P-C4'-P energy: -59.008
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -885.810509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.810509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.810509 (E_RNA)
where:
Base-Base interactions energy: -468.246
where: short stacking energy: -257.590
Base-Backbone interact. energy: -0.635
local terms energy: -416.930167
where:
bonds (distance) C4'-P energy: -106.533
bonds (distance) P-C4' energy: -117.707
flat angles C4'-P-C4' energy: -113.196
flat angles P-C4'-P energy: -57.274
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2604.197705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.197705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.197705 (E_RNA)
where:
Base-Base interactions energy: -1768.985
where: short stacking energy: -796.492
Base-Backbone interact. energy: -2.321
local terms energy: -832.890808
where:
bonds (distance) C4'-P energy: -131.468
bonds (distance) P-C4' energy: -162.439
flat angles C4'-P-C4' energy: -182.284
flat angles P-C4'-P energy: -122.076
tors. eta vs tors. theta energy: -234.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2573.894739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.894739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.894739 (E_RNA)
where:
Base-Base interactions energy: -1781.730
where: short stacking energy: -736.930
Base-Backbone interact. energy: 2.713
local terms energy: -794.877751
where:
bonds (distance) C4'-P energy: -143.281
bonds (distance) P-C4' energy: -140.403
flat angles C4'-P-C4' energy: -160.215
flat angles P-C4'-P energy: -118.735
tors. eta vs tors. theta energy: -232.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2456.473346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.473346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.473346 (E_RNA)
where:
Base-Base interactions energy: -1736.728
where: short stacking energy: -701.522
Base-Backbone interact. energy: -3.139
local terms energy: -716.605532
where:
bonds (distance) C4'-P energy: -134.122
bonds (distance) P-C4' energy: -135.625
flat angles C4'-P-C4' energy: -155.622
flat angles P-C4'-P energy: -97.722
tors. eta vs tors. theta energy: -193.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2413.115640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.115640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.115640 (E_RNA)
where:
Base-Base interactions energy: -1649.891
where: short stacking energy: -730.429
Base-Backbone interact. energy: -2.086
local terms energy: -761.138451
where:
bonds (distance) C4'-P energy: -139.192
bonds (distance) P-C4' energy: -138.685
flat angles C4'-P-C4' energy: -147.849
flat angles P-C4'-P energy: -110.072
tors. eta vs tors. theta energy: -225.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2128.049826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.049826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.049826 (E_RNA)
where:
Base-Base interactions energy: -1438.391
where: short stacking energy: -623.698
Base-Backbone interact. energy: -4.060
local terms energy: -685.599046
where:
bonds (distance) C4'-P energy: -128.090
bonds (distance) P-C4' energy: -131.948
flat angles C4'-P-C4' energy: -154.194
flat angles P-C4'-P energy: -91.956
tors. eta vs tors. theta energy: -179.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2006.966268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.966268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.966268 (E_RNA)
where:
Base-Base interactions energy: -1373.941
where: short stacking energy: -579.567
Base-Backbone interact. energy: 1.860
local terms energy: -634.885334
where:
bonds (distance) C4'-P energy: -118.739
bonds (distance) P-C4' energy: -127.912
flat angles C4'-P-C4' energy: -140.750
flat angles P-C4'-P energy: -91.382
tors. eta vs tors. theta energy: -156.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1886.738778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.738778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.738778 (E_RNA)
where:
Base-Base interactions energy: -1268.671
where: short stacking energy: -566.970
Base-Backbone interact. energy: 0.806
local terms energy: -618.872829
where:
bonds (distance) C4'-P energy: -115.254
bonds (distance) P-C4' energy: -120.568
flat angles C4'-P-C4' energy: -137.259
flat angles P-C4'-P energy: -92.165
tors. eta vs tors. theta energy: -153.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1372.456366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.456366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.456366 (E_RNA)
where:
Base-Base interactions energy: -846.310
where: short stacking energy: -456.950
Base-Backbone interact. energy: -3.023
local terms energy: -523.123239
where:
bonds (distance) C4'-P energy: -116.928
bonds (distance) P-C4' energy: -120.625
flat angles C4'-P-C4' energy: -132.574
flat angles P-C4'-P energy: -65.436
tors. eta vs tors. theta energy: -87.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1038.876902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.876902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.876902 (E_RNA)
where:
Base-Base interactions energy: -604.353
where: short stacking energy: -294.197
Base-Backbone interact. energy: -0.487
local terms energy: -434.036925
where:
bonds (distance) C4'-P energy: -108.752
bonds (distance) P-C4' energy: -126.230
flat angles C4'-P-C4' energy: -108.693
flat angles P-C4'-P energy: -69.450
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -834.075899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.075899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.075899 (E_RNA)
where:
Base-Base interactions energy: -404.253
where: short stacking energy: -231.476
Base-Backbone interact. energy: 0.933
local terms energy: -430.755948
where:
bonds (distance) C4'-P energy: -120.622
bonds (distance) P-C4' energy: -129.516
flat angles C4'-P-C4' energy: -107.514
flat angles P-C4'-P energy: -66.303
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2608.328654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.328654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.328654 (E_RNA)
where:
Base-Base interactions energy: -1820.905
where: short stacking energy: -763.415
Base-Backbone interact. energy: -3.114
local terms energy: -784.309164
where:
bonds (distance) C4'-P energy: -141.469
bonds (distance) P-C4' energy: -142.215
flat angles C4'-P-C4' energy: -158.465
flat angles P-C4'-P energy: -109.460
tors. eta vs tors. theta energy: -232.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2542.907649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.907649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.907649 (E_RNA)
where:
Base-Base interactions energy: -1728.878
where: short stacking energy: -773.929
Base-Backbone interact. energy: -1.296
local terms energy: -812.733751
where:
bonds (distance) C4'-P energy: -143.310
bonds (distance) P-C4' energy: -139.029
flat angles C4'-P-C4' energy: -170.946
flat angles P-C4'-P energy: -123.870
tors. eta vs tors. theta energy: -235.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2457.541226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.541226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.541226 (E_RNA)
where:
Base-Base interactions energy: -1727.641
where: short stacking energy: -695.633
Base-Backbone interact. energy: 0.299
local terms energy: -730.199471
where:
bonds (distance) C4'-P energy: -129.053
bonds (distance) P-C4' energy: -136.045
flat angles C4'-P-C4' energy: -156.269
flat angles P-C4'-P energy: -111.111
tors. eta vs tors. theta energy: -197.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2318.936083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.936083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.936083 (E_RNA)
where:
Base-Base interactions energy: -1591.121
where: short stacking energy: -692.477
Base-Backbone interact. energy: -0.642
local terms energy: -727.173749
where:
bonds (distance) C4'-P energy: -139.639
bonds (distance) P-C4' energy: -129.062
flat angles C4'-P-C4' energy: -151.213
flat angles P-C4'-P energy: -96.673
tors. eta vs tors. theta energy: -210.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2122.092204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.092204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.092204 (E_RNA)
where:
Base-Base interactions energy: -1423.858
where: short stacking energy: -633.521
Base-Backbone interact. energy: -2.221
local terms energy: -696.013788
where:
bonds (distance) C4'-P energy: -124.913
bonds (distance) P-C4' energy: -126.920
flat angles C4'-P-C4' energy: -156.442
flat angles P-C4'-P energy: -101.808
tors. eta vs tors. theta energy: -185.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1974.482599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.482599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.482599 (E_RNA)
where:
Base-Base interactions energy: -1333.433
where: short stacking energy: -573.219
Base-Backbone interact. energy: -1.766
local terms energy: -639.282803
where:
bonds (distance) C4'-P energy: -121.867
bonds (distance) P-C4' energy: -137.377
flat angles C4'-P-C4' energy: -137.432
flat angles P-C4'-P energy: -99.599
tors. eta vs tors. theta energy: -143.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1878.681302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.681302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.681302 (E_RNA)
where:
Base-Base interactions energy: -1257.450
where: short stacking energy: -554.539
Base-Backbone interact. energy: -2.211
local terms energy: -619.020333
where:
bonds (distance) C4'-P energy: -112.942
bonds (distance) P-C4' energy: -112.765
flat angles C4'-P-C4' energy: -146.207
flat angles P-C4'-P energy: -88.732
tors. eta vs tors. theta energy: -158.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1378.099969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.099969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.099969 (E_RNA)
where:
Base-Base interactions energy: -851.087
where: short stacking energy: -389.370
Base-Backbone interact. energy: 1.128
local terms energy: -528.140678
where:
bonds (distance) C4'-P energy: -115.797
bonds (distance) P-C4' energy: -129.473
flat angles C4'-P-C4' energy: -128.997
flat angles P-C4'-P energy: -66.198
tors. eta vs tors. theta energy: -87.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1035.799163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.799163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.799163 (E_RNA)
where:
Base-Base interactions energy: -583.252
where: short stacking energy: -281.290
Base-Backbone interact. energy: -2.660
local terms energy: -449.887100
where:
bonds (distance) C4'-P energy: -135.240
bonds (distance) P-C4' energy: -125.369
flat angles C4'-P-C4' energy: -121.264
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -881.547611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.547611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.547611 (E_RNA)
where:
Base-Base interactions energy: -467.792
where: short stacking energy: -257.701
Base-Backbone interact. energy: -0.401
local terms energy: -413.354476
where:
bonds (distance) C4'-P energy: -120.396
bonds (distance) P-C4' energy: -108.425
flat angles C4'-P-C4' energy: -95.991
flat angles P-C4'-P energy: -81.742
tors. eta vs tors. theta energy: -6.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2620.171810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.171810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.171810 (E_RNA)
where:
Base-Base interactions energy: -1820.861
where: short stacking energy: -762.792
Base-Backbone interact. energy: 0.840
local terms energy: -800.151153
where:
bonds (distance) C4'-P energy: -139.254
bonds (distance) P-C4' energy: -154.579
flat angles C4'-P-C4' energy: -160.716
flat angles P-C4'-P energy: -112.861
tors. eta vs tors. theta energy: -232.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2587.117950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.117950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.117950 (E_RNA)
where:
Base-Base interactions energy: -1758.093
where: short stacking energy: -793.342
Base-Backbone interact. energy: -3.751
local terms energy: -825.273762
where:
bonds (distance) C4'-P energy: -144.136
bonds (distance) P-C4' energy: -154.989
flat angles C4'-P-C4' energy: -177.757
flat angles P-C4'-P energy: -111.557
tors. eta vs tors. theta energy: -236.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2458.624856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.624856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.624856 (E_RNA)
where:
Base-Base interactions energy: -1736.315
where: short stacking energy: -713.266
Base-Backbone interact. energy: -4.634
local terms energy: -717.675974
where:
bonds (distance) C4'-P energy: -141.602
bonds (distance) P-C4' energy: -122.792
flat angles C4'-P-C4' energy: -148.726
flat angles P-C4'-P energy: -99.713
tors. eta vs tors. theta energy: -204.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2298.785642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.785642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.785642 (E_RNA)
where:
Base-Base interactions energy: -1548.815
where: short stacking energy: -713.805
Base-Backbone interact. energy: -0.572
local terms energy: -749.398225
where:
bonds (distance) C4'-P energy: -132.412
bonds (distance) P-C4' energy: -141.699
flat angles C4'-P-C4' energy: -165.448
flat angles P-C4'-P energy: -97.531
tors. eta vs tors. theta energy: -212.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2113.210059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.210059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.210059 (E_RNA)
where:
Base-Base interactions energy: -1442.338
where: short stacking energy: -611.918
Base-Backbone interact. energy: 0.407
local terms energy: -671.278806
where:
bonds (distance) C4'-P energy: -129.290
bonds (distance) P-C4' energy: -139.501
flat angles C4'-P-C4' energy: -148.117
flat angles P-C4'-P energy: -94.648
tors. eta vs tors. theta energy: -159.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2033.228364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.228364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.228364 (E_RNA)
where:
Base-Base interactions energy: -1391.578
where: short stacking energy: -585.269
Base-Backbone interact. energy: -0.765
local terms energy: -640.886129
where:
bonds (distance) C4'-P energy: -117.318
bonds (distance) P-C4' energy: -121.657
flat angles C4'-P-C4' energy: -144.077
flat angles P-C4'-P energy: -93.715
tors. eta vs tors. theta energy: -164.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1892.794448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.794448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.794448 (E_RNA)
where:
Base-Base interactions energy: -1239.047
where: short stacking energy: -551.609
Base-Backbone interact. energy: -2.856
local terms energy: -650.891597
where:
bonds (distance) C4'-P energy: -135.161
bonds (distance) P-C4' energy: -144.065
flat angles C4'-P-C4' energy: -139.381
flat angles P-C4'-P energy: -87.374
tors. eta vs tors. theta energy: -144.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1300.769989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.769989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.769989 (E_RNA)
where:
Base-Base interactions energy: -797.176
where: short stacking energy: -394.779
Base-Backbone interact. energy: -1.519
local terms energy: -502.074968
where:
bonds (distance) C4'-P energy: -123.015
bonds (distance) P-C4' energy: -118.640
flat angles C4'-P-C4' energy: -113.197
flat angles P-C4'-P energy: -84.913
tors. eta vs tors. theta energy: -62.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1049.329623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.329623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.329623 (E_RNA)
where:
Base-Base interactions energy: -592.664
where: short stacking energy: -279.686
Base-Backbone interact. energy: -1.849
local terms energy: -454.816746
where:
bonds (distance) C4'-P energy: -132.610
bonds (distance) P-C4' energy: -138.785
flat angles C4'-P-C4' energy: -117.511
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: -34.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -861.321835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.321835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.321835 (E_RNA)
where:
Base-Base interactions energy: -434.217
where: short stacking energy: -229.218
Base-Backbone interact. energy: -0.225
local terms energy: -426.880624
where:
bonds (distance) C4'-P energy: -134.650
bonds (distance) P-C4' energy: -131.763
flat angles C4'-P-C4' energy: -102.644
flat angles P-C4'-P energy: -43.651
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2605.436139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.436139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.436139 (E_RNA)
where:
Base-Base interactions energy: -1804.835
where: short stacking energy: -766.441
Base-Backbone interact. energy: 0.527
local terms energy: -801.128064
where:
bonds (distance) C4'-P energy: -147.987
bonds (distance) P-C4' energy: -141.745
flat angles C4'-P-C4' energy: -162.597
flat angles P-C4'-P energy: -114.082
tors. eta vs tors. theta energy: -234.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2576.404538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.404538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.404538 (E_RNA)
where:
Base-Base interactions energy: -1798.829
where: short stacking energy: -795.118
Base-Backbone interact. energy: -2.721
local terms energy: -774.854925
where:
bonds (distance) C4'-P energy: -129.481
bonds (distance) P-C4' energy: -135.415
flat angles C4'-P-C4' energy: -159.290
flat angles P-C4'-P energy: -101.151
tors. eta vs tors. theta energy: -249.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2464.216651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.216651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.216651 (E_RNA)
where:
Base-Base interactions energy: -1724.109
where: short stacking energy: -717.640
Base-Backbone interact. energy: -1.454
local terms energy: -738.654242
where:
bonds (distance) C4'-P energy: -134.391
bonds (distance) P-C4' energy: -149.384
flat angles C4'-P-C4' energy: -150.627
flat angles P-C4'-P energy: -104.264
tors. eta vs tors. theta energy: -199.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2323.370001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.370001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.370001 (E_RNA)
where:
Base-Base interactions energy: -1571.848
where: short stacking energy: -694.303
Base-Backbone interact. energy: -2.186
local terms energy: -749.335525
where:
bonds (distance) C4'-P energy: -135.039
bonds (distance) P-C4' energy: -144.181
flat angles C4'-P-C4' energy: -153.483
flat angles P-C4'-P energy: -107.091
tors. eta vs tors. theta energy: -209.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2146.472663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.472663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.472663 (E_RNA)
where:
Base-Base interactions energy: -1465.131
where: short stacking energy: -638.665
Base-Backbone interact. energy: -1.469
local terms energy: -679.872626
where:
bonds (distance) C4'-P energy: -137.872
bonds (distance) P-C4' energy: -130.394
flat angles C4'-P-C4' energy: -156.636
flat angles P-C4'-P energy: -86.848
tors. eta vs tors. theta energy: -168.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2012.634082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.634082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.634082 (E_RNA)
where:
Base-Base interactions energy: -1368.929
where: short stacking energy: -580.267
Base-Backbone interact. energy: -2.690
local terms energy: -641.014556
where:
bonds (distance) C4'-P energy: -110.224
bonds (distance) P-C4' energy: -131.051
flat angles C4'-P-C4' energy: -160.538
flat angles P-C4'-P energy: -79.948
tors. eta vs tors. theta energy: -159.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1828.062411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.062411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.062411 (E_RNA)
where:
Base-Base interactions energy: -1218.897
where: short stacking energy: -532.538
Base-Backbone interact. energy: -1.842
local terms energy: -607.323180
where:
bonds (distance) C4'-P energy: -119.646
bonds (distance) P-C4' energy: -123.640
flat angles C4'-P-C4' energy: -133.548
flat angles P-C4'-P energy: -94.742
tors. eta vs tors. theta energy: -135.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1263.566255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.566255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.566255 (E_RNA)
where:
Base-Base interactions energy: -793.716
where: short stacking energy: -387.374
Base-Backbone interact. energy: 1.660
local terms energy: -471.509799
where:
bonds (distance) C4'-P energy: -94.618
bonds (distance) P-C4' energy: -114.796
flat angles C4'-P-C4' energy: -111.356
flat angles P-C4'-P energy: -89.249
tors. eta vs tors. theta energy: -61.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1074.245818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.245818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.245818 (E_RNA)
where:
Base-Base interactions energy: -603.385
where: short stacking energy: -315.935
Base-Backbone interact. energy: 0.101
local terms energy: -470.961843
where:
bonds (distance) C4'-P energy: -108.016
bonds (distance) P-C4' energy: -125.835
flat angles C4'-P-C4' energy: -99.768
flat angles P-C4'-P energy: -95.073
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -813.793317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.793317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.793317 (E_RNA)
where:
Base-Base interactions energy: -411.733
where: short stacking energy: -224.724
Base-Backbone interact. energy: 1.876
local terms energy: -403.935440
where:
bonds (distance) C4'-P energy: -117.717
bonds (distance) P-C4' energy: -118.054
flat angles C4'-P-C4' energy: -111.248
flat angles P-C4'-P energy: -50.228
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2616.976196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.976196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.976196 (E_RNA)
where:
Base-Base interactions energy: -1792.753
where: short stacking energy: -752.726
Base-Backbone interact. energy: -1.958
local terms energy: -822.265113
where:
bonds (distance) C4'-P energy: -150.435
bonds (distance) P-C4' energy: -148.377
flat angles C4'-P-C4' energy: -170.043
flat angles P-C4'-P energy: -118.276
tors. eta vs tors. theta energy: -235.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2567.042358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.042358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.042358 (E_RNA)
where:
Base-Base interactions energy: -1755.238
where: short stacking energy: -770.777
Base-Backbone interact. energy: -2.510
local terms energy: -809.294981
where:
bonds (distance) C4'-P energy: -136.813
bonds (distance) P-C4' energy: -145.958
flat angles C4'-P-C4' energy: -174.799
flat angles P-C4'-P energy: -113.567
tors. eta vs tors. theta energy: -238.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2474.400386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.400386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.400386 (E_RNA)
where:
Base-Base interactions energy: -1707.713
where: short stacking energy: -714.939
Base-Backbone interact. energy: -2.030
local terms energy: -764.657414
where:
bonds (distance) C4'-P energy: -152.625
bonds (distance) P-C4' energy: -149.088
flat angles C4'-P-C4' energy: -149.526
flat angles P-C4'-P energy: -107.987
tors. eta vs tors. theta energy: -205.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2317.301217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.301217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.301217 (E_RNA)
where:
Base-Base interactions energy: -1585.939
where: short stacking energy: -688.129
Base-Backbone interact. energy: -1.570
local terms energy: -729.792009
where:
bonds (distance) C4'-P energy: -130.947
bonds (distance) P-C4' energy: -138.743
flat angles C4'-P-C4' energy: -149.478
flat angles P-C4'-P energy: -104.697
tors. eta vs tors. theta energy: -205.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2148.415274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.415274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.415274 (E_RNA)
where:
Base-Base interactions energy: -1516.277
where: short stacking energy: -633.522
Base-Backbone interact. energy: -2.674
local terms energy: -629.464735
where:
bonds (distance) C4'-P energy: -107.642
bonds (distance) P-C4' energy: -131.405
flat angles C4'-P-C4' energy: -134.892
flat angles P-C4'-P energy: -78.782
tors. eta vs tors. theta energy: -176.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1992.486153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.486153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.486153 (E_RNA)
where:
Base-Base interactions energy: -1346.053
where: short stacking energy: -578.054
Base-Backbone interact. energy: -2.833
local terms energy: -643.600503
where:
bonds (distance) C4'-P energy: -120.985
bonds (distance) P-C4' energy: -126.126
flat angles C4'-P-C4' energy: -137.023
flat angles P-C4'-P energy: -92.894
tors. eta vs tors. theta energy: -166.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1841.273187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.273187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.273187 (E_RNA)
where:
Base-Base interactions energy: -1235.391
where: short stacking energy: -535.662
Base-Backbone interact. energy: 1.259
local terms energy: -607.141374
where:
bonds (distance) C4'-P energy: -112.609
bonds (distance) P-C4' energy: -136.520
flat angles C4'-P-C4' energy: -145.500
flat angles P-C4'-P energy: -88.523
tors. eta vs tors. theta energy: -123.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1292.239944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.239944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.239944 (E_RNA)
where:
Base-Base interactions energy: -809.745
where: short stacking energy: -375.951
Base-Backbone interact. energy: -2.603
local terms energy: -479.892375
where:
bonds (distance) C4'-P energy: -126.223
bonds (distance) P-C4' energy: -109.798
flat angles C4'-P-C4' energy: -112.271
flat angles P-C4'-P energy: -74.281
tors. eta vs tors. theta energy: -57.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1028.251330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.251330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.251330 (E_RNA)
where:
Base-Base interactions energy: -603.859
where: short stacking energy: -317.443
Base-Backbone interact. energy: -0.167
local terms energy: -424.225492
where:
bonds (distance) C4'-P energy: -115.467
bonds (distance) P-C4' energy: -107.527
flat angles C4'-P-C4' energy: -102.767
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -812.366491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.366491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.366491 (E_RNA)
where:
Base-Base interactions energy: -418.902
where: short stacking energy: -240.588
Base-Backbone interact. energy: 0.818
local terms energy: -394.283034
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -119.794
flat angles C4'-P-C4' energy: -92.123
flat angles P-C4'-P energy: -64.425
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2634.633588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.633588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.633588 (E_RNA)
where:
Base-Base interactions energy: -1777.066
where: short stacking energy: -778.611
Base-Backbone interact. energy: -3.436
local terms energy: -854.131284
where:
bonds (distance) C4'-P energy: -146.364
bonds (distance) P-C4' energy: -150.683
flat angles C4'-P-C4' energy: -172.695
flat angles P-C4'-P energy: -135.747
tors. eta vs tors. theta energy: -248.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2581.605535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.605535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.605535 (E_RNA)
where:
Base-Base interactions energy: -1804.616
where: short stacking energy: -758.858
Base-Backbone interact. energy: 0.186
local terms energy: -777.176265
where:
bonds (distance) C4'-P energy: -110.483
bonds (distance) P-C4' energy: -150.304
flat angles C4'-P-C4' energy: -173.553
flat angles P-C4'-P energy: -111.521
tors. eta vs tors. theta energy: -231.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2474.701970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.701970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.701970 (E_RNA)
where:
Base-Base interactions energy: -1726.174
where: short stacking energy: -707.701
Base-Backbone interact. energy: -3.259
local terms energy: -745.268616
where:
bonds (distance) C4'-P energy: -150.895
bonds (distance) P-C4' energy: -137.085
flat angles C4'-P-C4' energy: -150.464
flat angles P-C4'-P energy: -109.346
tors. eta vs tors. theta energy: -197.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2330.863969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.863969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.863969 (E_RNA)
where:
Base-Base interactions energy: -1609.595
where: short stacking energy: -676.663
Base-Backbone interact. energy: -1.981
local terms energy: -719.287682
where:
bonds (distance) C4'-P energy: -126.331
bonds (distance) P-C4' energy: -139.853
flat angles C4'-P-C4' energy: -153.105
flat angles P-C4'-P energy: -102.830
tors. eta vs tors. theta energy: -197.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2152.156424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.156424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.156424 (E_RNA)
where:
Base-Base interactions energy: -1469.513
where: short stacking energy: -625.007
Base-Backbone interact. energy: 1.430
local terms energy: -684.073862
where:
bonds (distance) C4'-P energy: -134.117
bonds (distance) P-C4' energy: -140.026
flat angles C4'-P-C4' energy: -140.934
flat angles P-C4'-P energy: -87.103
tors. eta vs tors. theta energy: -181.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2007.166044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.166044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.166044 (E_RNA)
where:
Base-Base interactions energy: -1379.869
where: short stacking energy: -601.693
Base-Backbone interact. energy: -3.880
local terms energy: -623.416468
where:
bonds (distance) C4'-P energy: -112.654
bonds (distance) P-C4' energy: -122.924
flat angles C4'-P-C4' energy: -137.449
flat angles P-C4'-P energy: -90.655
tors. eta vs tors. theta energy: -159.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1873.407471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.407471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.407471 (E_RNA)
where:
Base-Base interactions energy: -1265.807
where: short stacking energy: -539.666
Base-Backbone interact. energy: -1.005
local terms energy: -606.595389
where:
bonds (distance) C4'-P energy: -113.682
bonds (distance) P-C4' energy: -128.130
flat angles C4'-P-C4' energy: -138.026
flat angles P-C4'-P energy: -84.360
tors. eta vs tors. theta energy: -142.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1307.642775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.642775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.642775 (E_RNA)
where:
Base-Base interactions energy: -827.885
where: short stacking energy: -392.142
Base-Backbone interact. energy: -1.662
local terms energy: -478.096070
where:
bonds (distance) C4'-P energy: -101.788
bonds (distance) P-C4' energy: -126.696
flat angles C4'-P-C4' energy: -124.368
flat angles P-C4'-P energy: -58.029
tors. eta vs tors. theta energy: -67.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1053.652037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.652037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.652037 (E_RNA)
where:
Base-Base interactions energy: -595.521
where: short stacking energy: -299.945
Base-Backbone interact. energy: 6.112
local terms energy: -464.242355
where:
bonds (distance) C4'-P energy: -114.965
bonds (distance) P-C4' energy: -127.777
flat angles C4'-P-C4' energy: -113.550
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -43.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -830.262369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.262369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.262369 (E_RNA)
where:
Base-Base interactions energy: -436.028
where: short stacking energy: -257.627
Base-Backbone interact. energy: -1.329
local terms energy: -392.904910
where:
bonds (distance) C4'-P energy: -129.846
bonds (distance) P-C4' energy: -101.719
flat angles C4'-P-C4' energy: -104.113
flat angles P-C4'-P energy: -53.470
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2651.133320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.133320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.133320 (E_RNA)
where:
Base-Base interactions energy: -1824.708
where: short stacking energy: -793.704
Base-Backbone interact. energy: -5.190
local terms energy: -821.235373
where:
bonds (distance) C4'-P energy: -146.687
bonds (distance) P-C4' energy: -151.682
flat angles C4'-P-C4' energy: -175.609
flat angles P-C4'-P energy: -109.570
tors. eta vs tors. theta energy: -237.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2577.214209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.214209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.214209 (E_RNA)
where:
Base-Base interactions energy: -1796.847
where: short stacking energy: -766.006
Base-Backbone interact. energy: -3.117
local terms energy: -777.250055
where:
bonds (distance) C4'-P energy: -134.797
bonds (distance) P-C4' energy: -138.735
flat angles C4'-P-C4' energy: -162.274
flat angles P-C4'-P energy: -106.245
tors. eta vs tors. theta energy: -235.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2425.474392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.474392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.474392 (E_RNA)
where:
Base-Base interactions energy: -1683.498
where: short stacking energy: -686.934
Base-Backbone interact. energy: -6.905
local terms energy: -735.072028
where:
bonds (distance) C4'-P energy: -142.471
bonds (distance) P-C4' energy: -149.571
flat angles C4'-P-C4' energy: -159.152
flat angles P-C4'-P energy: -101.216
tors. eta vs tors. theta energy: -182.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2369.121089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.121089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.121089 (E_RNA)
where:
Base-Base interactions energy: -1599.684
where: short stacking energy: -693.276
Base-Backbone interact. energy: -3.006
local terms energy: -766.430973
where:
bonds (distance) C4'-P energy: -129.084
bonds (distance) P-C4' energy: -142.897
flat angles C4'-P-C4' energy: -163.707
flat angles P-C4'-P energy: -104.549
tors. eta vs tors. theta energy: -226.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2161.784665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.784665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.784665 (E_RNA)
where:
Base-Base interactions energy: -1485.310
where: short stacking energy: -651.698
Base-Backbone interact. energy: -0.274
local terms energy: -676.200239
where:
bonds (distance) C4'-P energy: -109.207
bonds (distance) P-C4' energy: -132.336
flat angles C4'-P-C4' energy: -162.002
flat angles P-C4'-P energy: -83.873
tors. eta vs tors. theta energy: -188.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2080.857373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.857373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.857373 (E_RNA)
where:
Base-Base interactions energy: -1435.644
where: short stacking energy: -588.654
Base-Backbone interact. energy: -1.409
local terms energy: -643.803928
where:
bonds (distance) C4'-P energy: -115.350
bonds (distance) P-C4' energy: -134.560
flat angles C4'-P-C4' energy: -133.598
flat angles P-C4'-P energy: -96.128
tors. eta vs tors. theta energy: -164.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1929.701905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.701905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.701905 (E_RNA)
where:
Base-Base interactions energy: -1318.306
where: short stacking energy: -599.086
Base-Backbone interact. energy: -2.523
local terms energy: -608.872651
where:
bonds (distance) C4'-P energy: -119.079
bonds (distance) P-C4' energy: -124.693
flat angles C4'-P-C4' energy: -132.708
flat angles P-C4'-P energy: -84.140
tors. eta vs tors. theta energy: -148.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1337.338258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.338258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.338258 (E_RNA)
where:
Base-Base interactions energy: -833.860
where: short stacking energy: -392.496
Base-Backbone interact. energy: -0.164
local terms energy: -503.314115
where:
bonds (distance) C4'-P energy: -122.242
bonds (distance) P-C4' energy: -120.712
flat angles C4'-P-C4' energy: -125.261
flat angles P-C4'-P energy: -71.546
tors. eta vs tors. theta energy: -63.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1133.582921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.582921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.582921 (E_RNA)
where:
Base-Base interactions energy: -667.057
where: short stacking energy: -331.002
Base-Backbone interact. energy: 0.604
local terms energy: -467.130355
where:
bonds (distance) C4'-P energy: -118.391
bonds (distance) P-C4' energy: -119.614
flat angles C4'-P-C4' energy: -120.781
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -53.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -849.646016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.646016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.646016 (E_RNA)
where:
Base-Base interactions energy: -453.214
where: short stacking energy: -246.492
Base-Backbone interact. energy: -1.288
local terms energy: -395.144252
where:
bonds (distance) C4'-P energy: -113.488
bonds (distance) P-C4' energy: -126.775
flat angles C4'-P-C4' energy: -87.162
flat angles P-C4'-P energy: -58.790
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2637.964269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.964269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.964269 (E_RNA)
where:
Base-Base interactions energy: -1808.320
where: short stacking energy: -803.639
Base-Backbone interact. energy: -1.348
local terms energy: -828.296296
where:
bonds (distance) C4'-P energy: -144.892
bonds (distance) P-C4' energy: -151.645
flat angles C4'-P-C4' energy: -160.381
flat angles P-C4'-P energy: -122.957
tors. eta vs tors. theta energy: -248.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2597.122626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.122626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.122626 (E_RNA)
where:
Base-Base interactions energy: -1790.370
where: short stacking energy: -753.808
Base-Backbone interact. energy: -0.700
local terms energy: -806.052473
where:
bonds (distance) C4'-P energy: -146.406
bonds (distance) P-C4' energy: -150.902
flat angles C4'-P-C4' energy: -168.350
flat angles P-C4'-P energy: -105.303
tors. eta vs tors. theta energy: -235.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2461.516214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.516214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.516214 (E_RNA)
where:
Base-Base interactions energy: -1721.687
where: short stacking energy: -703.161
Base-Backbone interact. energy: -3.370
local terms energy: -736.459803
where:
bonds (distance) C4'-P energy: -131.684
bonds (distance) P-C4' energy: -139.002
flat angles C4'-P-C4' energy: -157.320
flat angles P-C4'-P energy: -109.075
tors. eta vs tors. theta energy: -199.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2321.505959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.505959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.505959 (E_RNA)
where:
Base-Base interactions energy: -1587.014
where: short stacking energy: -696.442
Base-Backbone interact. energy: -2.604
local terms energy: -731.887522
where:
bonds (distance) C4'-P energy: -133.491
bonds (distance) P-C4' energy: -133.855
flat angles C4'-P-C4' energy: -160.556
flat angles P-C4'-P energy: -99.271
tors. eta vs tors. theta energy: -204.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2243.823664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.823664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.823664 (E_RNA)
where:
Base-Base interactions energy: -1532.563
where: short stacking energy: -676.398
Base-Backbone interact. energy: -1.794
local terms energy: -709.467161
where:
bonds (distance) C4'-P energy: -126.563
bonds (distance) P-C4' energy: -116.312
flat angles C4'-P-C4' energy: -157.014
flat angles P-C4'-P energy: -104.944
tors. eta vs tors. theta energy: -204.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2021.472216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.472216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.472216 (E_RNA)
where:
Base-Base interactions energy: -1375.097
where: short stacking energy: -571.913
Base-Backbone interact. energy: -1.201
local terms energy: -645.174124
where:
bonds (distance) C4'-P energy: -124.968
bonds (distance) P-C4' energy: -125.277
flat angles C4'-P-C4' energy: -151.699
flat angles P-C4'-P energy: -98.802
tors. eta vs tors. theta energy: -144.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1863.073666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.073666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.073666 (E_RNA)
where:
Base-Base interactions energy: -1232.274
where: short stacking energy: -584.228
Base-Backbone interact. energy: -1.066
local terms energy: -629.733586
where:
bonds (distance) C4'-P energy: -120.920
bonds (distance) P-C4' energy: -134.165
flat angles C4'-P-C4' energy: -132.783
flat angles P-C4'-P energy: -80.593
tors. eta vs tors. theta energy: -161.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1376.824503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.824503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.824503 (E_RNA)
where:
Base-Base interactions energy: -853.081
where: short stacking energy: -373.113
Base-Backbone interact. energy: -1.290
local terms energy: -522.454191
where:
bonds (distance) C4'-P energy: -119.495
bonds (distance) P-C4' energy: -130.928
flat angles C4'-P-C4' energy: -123.637
flat angles P-C4'-P energy: -69.500
tors. eta vs tors. theta energy: -78.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1102.789234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.789234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.789234 (E_RNA)
where:
Base-Base interactions energy: -635.512
where: short stacking energy: -299.552
Base-Backbone interact. energy: -1.746
local terms energy: -465.531912
where:
bonds (distance) C4'-P energy: -121.396
bonds (distance) P-C4' energy: -128.105
flat angles C4'-P-C4' energy: -100.515
flat angles P-C4'-P energy: -78.409
tors. eta vs tors. theta energy: -37.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -828.429980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.429980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.429980 (E_RNA)
where:
Base-Base interactions energy: -421.639
where: short stacking energy: -218.055
Base-Backbone interact. energy: 6.391
local terms energy: -413.181663
where:
bonds (distance) C4'-P energy: -109.997
bonds (distance) P-C4' energy: -125.480
flat angles C4'-P-C4' energy: -119.081
flat angles P-C4'-P energy: -64.083
tors. eta vs tors. theta energy: 5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2655.342059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.342059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.342059 (E_RNA)
where:
Base-Base interactions energy: -1831.228
where: short stacking energy: -811.842
Base-Backbone interact. energy: -3.746
local terms energy: -820.368484
where:
bonds (distance) C4'-P energy: -148.267
bonds (distance) P-C4' energy: -133.465
flat angles C4'-P-C4' energy: -183.513
flat angles P-C4'-P energy: -117.252
tors. eta vs tors. theta energy: -237.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2608.776962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.776962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.776962 (E_RNA)
where:
Base-Base interactions energy: -1805.798
where: short stacking energy: -774.820
Base-Backbone interact. energy: -4.022
local terms energy: -798.956741
where:
bonds (distance) C4'-P energy: -139.363
bonds (distance) P-C4' energy: -136.721
flat angles C4'-P-C4' energy: -162.697
flat angles P-C4'-P energy: -122.158
tors. eta vs tors. theta energy: -238.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2468.123394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.123394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.123394 (E_RNA)
where:
Base-Base interactions energy: -1716.570
where: short stacking energy: -703.522
Base-Backbone interact. energy: -5.026
local terms energy: -746.527212
where:
bonds (distance) C4'-P energy: -144.397
bonds (distance) P-C4' energy: -143.696
flat angles C4'-P-C4' energy: -166.794
flat angles P-C4'-P energy: -102.396
tors. eta vs tors. theta energy: -189.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2347.567611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.567611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.567611 (E_RNA)
where:
Base-Base interactions energy: -1625.913
where: short stacking energy: -732.420
Base-Backbone interact. energy: -2.049
local terms energy: -719.605959
where:
bonds (distance) C4'-P energy: -111.323
bonds (distance) P-C4' energy: -126.286
flat angles C4'-P-C4' energy: -165.036
flat angles P-C4'-P energy: -96.235
tors. eta vs tors. theta energy: -220.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2097.797530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.797530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.797530 (E_RNA)
where:
Base-Base interactions energy: -1442.637
where: short stacking energy: -609.095
Base-Backbone interact. energy: 5.333
local terms energy: -660.493029
where:
bonds (distance) C4'-P energy: -126.400
bonds (distance) P-C4' energy: -128.233
flat angles C4'-P-C4' energy: -147.720
flat angles P-C4'-P energy: -91.132
tors. eta vs tors. theta energy: -167.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2115.297039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.297039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.297039 (E_RNA)
where:
Base-Base interactions energy: -1453.707
where: short stacking energy: -604.890
Base-Backbone interact. energy: 0.427
local terms energy: -662.016703
where:
bonds (distance) C4'-P energy: -116.043
bonds (distance) P-C4' energy: -139.703
flat angles C4'-P-C4' energy: -150.801
flat angles P-C4'-P energy: -80.758
tors. eta vs tors. theta energy: -174.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1827.740675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.740675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.740675 (E_RNA)
where:
Base-Base interactions energy: -1193.818
where: short stacking energy: -534.953
Base-Backbone interact. energy: 2.104
local terms energy: -636.027293
where:
bonds (distance) C4'-P energy: -118.869
bonds (distance) P-C4' energy: -148.011
flat angles C4'-P-C4' energy: -148.007
flat angles P-C4'-P energy: -88.066
tors. eta vs tors. theta energy: -133.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1364.408671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.408671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.408671 (E_RNA)
where:
Base-Base interactions energy: -847.908
where: short stacking energy: -388.228
Base-Backbone interact. energy: 1.073
local terms energy: -517.573633
where:
bonds (distance) C4'-P energy: -120.151
bonds (distance) P-C4' energy: -125.414
flat angles C4'-P-C4' energy: -137.815
flat angles P-C4'-P energy: -67.431
tors. eta vs tors. theta energy: -66.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1153.578645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.578645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.578645 (E_RNA)
where:
Base-Base interactions energy: -695.047
where: short stacking energy: -340.482
Base-Backbone interact. energy: -3.263
local terms energy: -455.268408
where:
bonds (distance) C4'-P energy: -106.710
bonds (distance) P-C4' energy: -130.757
flat angles C4'-P-C4' energy: -108.773
flat angles P-C4'-P energy: -63.198
tors. eta vs tors. theta energy: -45.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -871.686046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.686046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.686046 (E_RNA)
where:
Base-Base interactions energy: -462.208
where: short stacking energy: -258.082
Base-Backbone interact. energy: 1.451
local terms energy: -410.929211
where:
bonds (distance) C4'-P energy: -111.975
bonds (distance) P-C4' energy: -112.308
flat angles C4'-P-C4' energy: -112.961
flat angles P-C4'-P energy: -56.841
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2620.852006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.852006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.852006 (E_RNA)
where:
Base-Base interactions energy: -1783.534
where: short stacking energy: -804.747
Base-Backbone interact. energy: -3.658
local terms energy: -833.660440
where:
bonds (distance) C4'-P energy: -155.274
bonds (distance) P-C4' energy: -158.586
flat angles C4'-P-C4' energy: -167.956
flat angles P-C4'-P energy: -122.572
tors. eta vs tors. theta energy: -229.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2600.231579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.231579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.231579 (E_RNA)
where:
Base-Base interactions energy: -1810.412
where: short stacking energy: -758.239
Base-Backbone interact. energy: -4.974
local terms energy: -784.845605
where:
bonds (distance) C4'-P energy: -139.234
bonds (distance) P-C4' energy: -129.677
flat angles C4'-P-C4' energy: -164.494
flat angles P-C4'-P energy: -106.937
tors. eta vs tors. theta energy: -244.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2456.478095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.478095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.478095 (E_RNA)
where:
Base-Base interactions energy: -1701.605
where: short stacking energy: -693.413
Base-Backbone interact. energy: -4.337
local terms energy: -750.535384
where:
bonds (distance) C4'-P energy: -151.426
bonds (distance) P-C4' energy: -140.062
flat angles C4'-P-C4' energy: -164.690
flat angles P-C4'-P energy: -107.106
tors. eta vs tors. theta energy: -187.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2377.673239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.673239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.673239 (E_RNA)
where:
Base-Base interactions energy: -1629.358
where: short stacking energy: -719.727
Base-Backbone interact. energy: -0.837
local terms energy: -747.478526
where:
bonds (distance) C4'-P energy: -130.222
bonds (distance) P-C4' energy: -145.491
flat angles C4'-P-C4' energy: -155.485
flat angles P-C4'-P energy: -99.822
tors. eta vs tors. theta energy: -216.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2167.790222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.790222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.790222 (E_RNA)
where:
Base-Base interactions energy: -1489.085
where: short stacking energy: -620.993
Base-Backbone interact. energy: -3.606
local terms energy: -675.099995
where:
bonds (distance) C4'-P energy: -122.033
bonds (distance) P-C4' energy: -111.973
flat angles C4'-P-C4' energy: -162.822
flat angles P-C4'-P energy: -109.697
tors. eta vs tors. theta energy: -168.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2046.570797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.570797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.570797 (E_RNA)
where:
Base-Base interactions energy: -1385.907
where: short stacking energy: -587.452
Base-Backbone interact. energy: -4.390
local terms energy: -656.273546
where:
bonds (distance) C4'-P energy: -134.321
bonds (distance) P-C4' energy: -119.273
flat angles C4'-P-C4' energy: -146.006
flat angles P-C4'-P energy: -93.794
tors. eta vs tors. theta energy: -162.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1896.292540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.292540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.292540 (E_RNA)
where:
Base-Base interactions energy: -1288.339
where: short stacking energy: -514.800
Base-Backbone interact. energy: 0.246
local terms energy: -608.199526
where:
bonds (distance) C4'-P energy: -127.749
bonds (distance) P-C4' energy: -140.346
flat angles C4'-P-C4' energy: -140.296
flat angles P-C4'-P energy: -80.463
tors. eta vs tors. theta energy: -119.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1291.249660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.249660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.249660 (E_RNA)
where:
Base-Base interactions energy: -801.786
where: short stacking energy: -393.700
Base-Backbone interact. energy: -3.318
local terms energy: -486.145393
where:
bonds (distance) C4'-P energy: -121.001
bonds (distance) P-C4' energy: -100.939
flat angles C4'-P-C4' energy: -128.296
flat angles P-C4'-P energy: -71.009
tors. eta vs tors. theta energy: -64.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1142.310087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.310087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.310087 (E_RNA)
where:
Base-Base interactions energy: -687.408
where: short stacking energy: -303.399
Base-Backbone interact. energy: 3.459
local terms energy: -458.361600
where:
bonds (distance) C4'-P energy: -132.980
bonds (distance) P-C4' energy: -121.784
flat angles C4'-P-C4' energy: -108.681
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -26.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -871.706251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.706251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.706251 (E_RNA)
where:
Base-Base interactions energy: -460.239
where: short stacking energy: -249.979
Base-Backbone interact. energy: -0.284
local terms energy: -411.182920
where:
bonds (distance) C4'-P energy: -128.310
bonds (distance) P-C4' energy: -133.894
flat angles C4'-P-C4' energy: -82.068
flat angles P-C4'-P energy: -50.818
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2631.199026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.199026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.199026 (E_RNA)
where:
Base-Base interactions energy: -1809.026
where: short stacking energy: -805.095
Base-Backbone interact. energy: -1.679
local terms energy: -820.493388
where:
bonds (distance) C4'-P energy: -127.355
bonds (distance) P-C4' energy: -155.160
flat angles C4'-P-C4' energy: -171.542
flat angles P-C4'-P energy: -120.280
tors. eta vs tors. theta energy: -246.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2610.426024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.426024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.426024 (E_RNA)
where:
Base-Base interactions energy: -1806.701
where: short stacking energy: -771.860
Base-Backbone interact. energy: -1.580
local terms energy: -802.144663
where:
bonds (distance) C4'-P energy: -145.760
bonds (distance) P-C4' energy: -139.097
flat angles C4'-P-C4' energy: -182.701
flat angles P-C4'-P energy: -106.453
tors. eta vs tors. theta energy: -228.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2423.136563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.136563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.136563 (E_RNA)
where:
Base-Base interactions energy: -1692.566
where: short stacking energy: -687.900
Base-Backbone interact. energy: -2.346
local terms energy: -728.224291
where:
bonds (distance) C4'-P energy: -140.280
bonds (distance) P-C4' energy: -140.674
flat angles C4'-P-C4' energy: -159.014
flat angles P-C4'-P energy: -99.464
tors. eta vs tors. theta energy: -188.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2360.981698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.981698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.981698 (E_RNA)
where:
Base-Base interactions energy: -1581.138
where: short stacking energy: -689.792
Base-Backbone interact. energy: -1.972
local terms energy: -777.871998
where:
bonds (distance) C4'-P energy: -137.309
bonds (distance) P-C4' energy: -150.448
flat angles C4'-P-C4' energy: -163.462
flat angles P-C4'-P energy: -113.219
tors. eta vs tors. theta energy: -213.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2138.760934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.760934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.760934 (E_RNA)
where:
Base-Base interactions energy: -1451.490
where: short stacking energy: -613.907
Base-Backbone interact. energy: -0.431
local terms energy: -686.840063
where:
bonds (distance) C4'-P energy: -146.498
bonds (distance) P-C4' energy: -118.549
flat angles C4'-P-C4' energy: -145.988
flat angles P-C4'-P energy: -106.841
tors. eta vs tors. theta energy: -168.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2030.458431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.458431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.458431 (E_RNA)
where:
Base-Base interactions energy: -1374.202
where: short stacking energy: -614.163
Base-Backbone interact. energy: -0.788
local terms energy: -655.468101
where:
bonds (distance) C4'-P energy: -110.149
bonds (distance) P-C4' energy: -129.154
flat angles C4'-P-C4' energy: -154.352
flat angles P-C4'-P energy: -83.690
tors. eta vs tors. theta energy: -178.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1963.677960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.677960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.677960 (E_RNA)
where:
Base-Base interactions energy: -1334.623
where: short stacking energy: -550.385
Base-Backbone interact. energy: -2.436
local terms energy: -626.618816
where:
bonds (distance) C4'-P energy: -128.521
bonds (distance) P-C4' energy: -115.161
flat angles C4'-P-C4' energy: -128.603
flat angles P-C4'-P energy: -99.392
tors. eta vs tors. theta energy: -154.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1321.784310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.784310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.784310 (E_RNA)
where:
Base-Base interactions energy: -818.560
where: short stacking energy: -401.647
Base-Backbone interact. energy: 4.957
local terms energy: -508.181281
where:
bonds (distance) C4'-P energy: -113.274
bonds (distance) P-C4' energy: -129.481
flat angles C4'-P-C4' energy: -114.559
flat angles P-C4'-P energy: -81.643
tors. eta vs tors. theta energy: -69.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1172.517557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.517557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.517557 (E_RNA)
where:
Base-Base interactions energy: -712.872
where: short stacking energy: -335.272
Base-Backbone interact. energy: -2.192
local terms energy: -457.453376
where:
bonds (distance) C4'-P energy: -118.469
bonds (distance) P-C4' energy: -129.360
flat angles C4'-P-C4' energy: -108.352
flat angles P-C4'-P energy: -66.407
tors. eta vs tors. theta energy: -34.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -798.007232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.007232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.007232 (E_RNA)
where:
Base-Base interactions energy: -427.334
where: short stacking energy: -232.714
Base-Backbone interact. energy: 9.334
local terms energy: -380.007486
where:
bonds (distance) C4'-P energy: -95.559
bonds (distance) P-C4' energy: -115.040
flat angles C4'-P-C4' energy: -113.683
flat angles P-C4'-P energy: -64.997
tors. eta vs tors. theta energy: 9.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2661.688824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.688824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.688824 (E_RNA)
where:
Base-Base interactions energy: -1855.374
where: short stacking energy: -797.993
Base-Backbone interact. energy: -2.615
local terms energy: -803.699858
where:
bonds (distance) C4'-P energy: -142.510
bonds (distance) P-C4' energy: -135.063
flat angles C4'-P-C4' energy: -170.736
flat angles P-C4'-P energy: -114.386
tors. eta vs tors. theta energy: -241.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2623.853466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.853466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.853466 (E_RNA)
where:
Base-Base interactions energy: -1820.837
where: short stacking energy: -774.694
Base-Backbone interact. energy: -3.671
local terms energy: -799.346228
where:
bonds (distance) C4'-P energy: -134.318
bonds (distance) P-C4' energy: -151.896
flat angles C4'-P-C4' energy: -165.827
flat angles P-C4'-P energy: -117.649
tors. eta vs tors. theta energy: -229.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2463.468795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.468795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.468795 (E_RNA)
where:
Base-Base interactions energy: -1764.292
where: short stacking energy: -728.642
Base-Backbone interact. energy: -6.952
local terms energy: -692.225283
where:
bonds (distance) C4'-P energy: -127.532
bonds (distance) P-C4' energy: -134.667
flat angles C4'-P-C4' energy: -148.075
flat angles P-C4'-P energy: -91.579
tors. eta vs tors. theta energy: -190.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2293.091818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.091818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.091818 (E_RNA)
where:
Base-Base interactions energy: -1570.753
where: short stacking energy: -673.882
Base-Backbone interact. energy: 5.001
local terms energy: -727.340489
where:
bonds (distance) C4'-P energy: -140.867
bonds (distance) P-C4' energy: -132.840
flat angles C4'-P-C4' energy: -165.153
flat angles P-C4'-P energy: -91.381
tors. eta vs tors. theta energy: -197.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2119.426464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.426464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.426464 (E_RNA)
where:
Base-Base interactions energy: -1464.732
where: short stacking energy: -604.000
Base-Backbone interact. energy: -6.770
local terms energy: -647.924287
where:
bonds (distance) C4'-P energy: -137.664
bonds (distance) P-C4' energy: -125.478
flat angles C4'-P-C4' energy: -140.455
flat angles P-C4'-P energy: -89.790
tors. eta vs tors. theta energy: -154.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1929.647349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.647349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.647349 (E_RNA)
where:
Base-Base interactions energy: -1280.231
where: short stacking energy: -559.383
Base-Backbone interact. energy: 0.702
local terms energy: -650.118226
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -132.398
flat angles C4'-P-C4' energy: -154.584
flat angles P-C4'-P energy: -96.728
tors. eta vs tors. theta energy: -147.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1925.034607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.034607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.034607 (E_RNA)
where:
Base-Base interactions energy: -1301.422
where: short stacking energy: -572.539
Base-Backbone interact. energy: -0.767
local terms energy: -622.845262
where:
bonds (distance) C4'-P energy: -107.667
bonds (distance) P-C4' energy: -129.545
flat angles C4'-P-C4' energy: -138.314
flat angles P-C4'-P energy: -97.035
tors. eta vs tors. theta energy: -150.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1373.061377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.061377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.061377 (E_RNA)
where:
Base-Base interactions energy: -836.250
where: short stacking energy: -397.745
Base-Backbone interact. energy: -2.541
local terms energy: -534.269625
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -145.418
flat angles C4'-P-C4' energy: -128.078
flat angles P-C4'-P energy: -60.199
tors. eta vs tors. theta energy: -84.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1119.318680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.318680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.318680 (E_RNA)
where:
Base-Base interactions energy: -653.717
where: short stacking energy: -309.756
Base-Backbone interact. energy: 1.480
local terms energy: -467.081804
where:
bonds (distance) C4'-P energy: -112.238
bonds (distance) P-C4' energy: -124.165
flat angles C4'-P-C4' energy: -117.143
flat angles P-C4'-P energy: -75.441
tors. eta vs tors. theta energy: -38.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -861.482977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.482977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.482977 (E_RNA)
where:
Base-Base interactions energy: -419.261
where: short stacking energy: -242.611
Base-Backbone interact. energy: 2.076
local terms energy: -444.297367
where:
bonds (distance) C4'-P energy: -125.890
bonds (distance) P-C4' energy: -118.177
flat angles C4'-P-C4' energy: -123.301
flat angles P-C4'-P energy: -60.382
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2644.161918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.161918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.161918 (E_RNA)
where:
Base-Base interactions energy: -1817.486
where: short stacking energy: -805.384
Base-Backbone interact. energy: 0.136
local terms energy: -826.811990
where:
bonds (distance) C4'-P energy: -135.954
bonds (distance) P-C4' energy: -165.384
flat angles C4'-P-C4' energy: -168.371
flat angles P-C4'-P energy: -117.365
tors. eta vs tors. theta energy: -239.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2606.829558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.829558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.829558 (E_RNA)
where:
Base-Base interactions energy: -1816.134
where: short stacking energy: -751.922
Base-Backbone interact. energy: -2.373
local terms energy: -788.323303
where:
bonds (distance) C4'-P energy: -148.523
bonds (distance) P-C4' energy: -134.208
flat angles C4'-P-C4' energy: -160.648
flat angles P-C4'-P energy: -106.150
tors. eta vs tors. theta energy: -238.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2475.182053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.182053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.182053 (E_RNA)
where:
Base-Base interactions energy: -1755.496
where: short stacking energy: -702.976
Base-Backbone interact. energy: -3.883
local terms energy: -715.803511
where:
bonds (distance) C4'-P energy: -124.767
bonds (distance) P-C4' energy: -140.455
flat angles C4'-P-C4' energy: -159.080
flat angles P-C4'-P energy: -106.540
tors. eta vs tors. theta energy: -184.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2343.577037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.577037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.577037 (E_RNA)
where:
Base-Base interactions energy: -1608.051
where: short stacking energy: -683.920
Base-Backbone interact. energy: -0.813
local terms energy: -734.713449
where:
bonds (distance) C4'-P energy: -130.933
bonds (distance) P-C4' energy: -128.894
flat angles C4'-P-C4' energy: -170.139
flat angles P-C4'-P energy: -102.011
tors. eta vs tors. theta energy: -202.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2095.945636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.945636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.945636 (E_RNA)
where:
Base-Base interactions energy: -1423.764
where: short stacking energy: -640.332
Base-Backbone interact. energy: -2.963
local terms energy: -669.218958
where:
bonds (distance) C4'-P energy: -125.672
bonds (distance) P-C4' energy: -130.254
flat angles C4'-P-C4' energy: -155.768
flat angles P-C4'-P energy: -95.191
tors. eta vs tors. theta energy: -162.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1917.147108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.147108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.147108 (E_RNA)
where:
Base-Base interactions energy: -1266.770
where: short stacking energy: -547.543
Base-Backbone interact. energy: -3.237
local terms energy: -647.140309
where:
bonds (distance) C4'-P energy: -125.552
bonds (distance) P-C4' energy: -132.135
flat angles C4'-P-C4' energy: -133.560
flat angles P-C4'-P energy: -100.713
tors. eta vs tors. theta energy: -155.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1961.107896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.107896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.107896 (E_RNA)
where:
Base-Base interactions energy: -1308.584
where: short stacking energy: -572.550
Base-Backbone interact. energy: -1.927
local terms energy: -650.596395
where:
bonds (distance) C4'-P energy: -130.395
bonds (distance) P-C4' energy: -132.361
flat angles C4'-P-C4' energy: -130.375
flat angles P-C4'-P energy: -115.043
tors. eta vs tors. theta energy: -142.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1303.452284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.452284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.452284 (E_RNA)
where:
Base-Base interactions energy: -796.122
where: short stacking energy: -376.241
Base-Backbone interact. energy: 0.106
local terms energy: -507.436350
where:
bonds (distance) C4'-P energy: -115.303
bonds (distance) P-C4' energy: -127.796
flat angles C4'-P-C4' energy: -101.504
flat angles P-C4'-P energy: -95.432
tors. eta vs tors. theta energy: -67.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1095.683056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.683056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.683056 (E_RNA)
where:
Base-Base interactions energy: -623.978
where: short stacking energy: -337.523
Base-Backbone interact. energy: -0.057
local terms energy: -471.648244
where:
bonds (distance) C4'-P energy: -114.149
bonds (distance) P-C4' energy: -115.881
flat angles C4'-P-C4' energy: -114.562
flat angles P-C4'-P energy: -75.887
tors. eta vs tors. theta energy: -51.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -848.237687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.237687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.237687 (E_RNA)
where:
Base-Base interactions energy: -478.605
where: short stacking energy: -241.135
Base-Backbone interact. energy: 9.637
local terms energy: -379.269329
where:
bonds (distance) C4'-P energy: -93.519
bonds (distance) P-C4' energy: -134.081
flat angles C4'-P-C4' energy: -122.447
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: 12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2633.791194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.791194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.791194 (E_RNA)
where:
Base-Base interactions energy: -1812.174
where: short stacking energy: -801.279
Base-Backbone interact. energy: -1.227
local terms energy: -820.390114
where:
bonds (distance) C4'-P energy: -149.723
bonds (distance) P-C4' energy: -140.236
flat angles C4'-P-C4' energy: -170.719
flat angles P-C4'-P energy: -113.702
tors. eta vs tors. theta energy: -246.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2595.035289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.035289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.035289 (E_RNA)
where:
Base-Base interactions energy: -1825.867
where: short stacking energy: -756.749
Base-Backbone interact. energy: -2.146
local terms energy: -767.021793
where:
bonds (distance) C4'-P energy: -126.719
bonds (distance) P-C4' energy: -136.746
flat angles C4'-P-C4' energy: -169.999
flat angles P-C4'-P energy: -105.458
tors. eta vs tors. theta energy: -228.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2523.718606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.718606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.718606 (E_RNA)
where:
Base-Base interactions energy: -1787.684
where: short stacking energy: -701.196
Base-Backbone interact. energy: -2.733
local terms energy: -733.300836
where:
bonds (distance) C4'-P energy: -132.327
bonds (distance) P-C4' energy: -138.024
flat angles C4'-P-C4' energy: -164.346
flat angles P-C4'-P energy: -114.488
tors. eta vs tors. theta energy: -184.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2337.805025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.805025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.805025 (E_RNA)
where:
Base-Base interactions energy: -1616.197
where: short stacking energy: -694.682
Base-Backbone interact. energy: -2.288
local terms energy: -719.320511
where:
bonds (distance) C4'-P energy: -131.034
bonds (distance) P-C4' energy: -135.547
flat angles C4'-P-C4' energy: -160.100
flat angles P-C4'-P energy: -96.884
tors. eta vs tors. theta energy: -195.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2106.371659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.371659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.371659 (E_RNA)
where:
Base-Base interactions energy: -1407.440
where: short stacking energy: -627.049
Base-Backbone interact. energy: 0.260
local terms energy: -699.192109
where:
bonds (distance) C4'-P energy: -140.282
bonds (distance) P-C4' energy: -135.047
flat angles C4'-P-C4' energy: -138.962
flat angles P-C4'-P energy: -93.029
tors. eta vs tors. theta energy: -191.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2010.129207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.129207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.129207 (E_RNA)
where:
Base-Base interactions energy: -1345.071
where: short stacking energy: -585.673
Base-Backbone interact. energy: -0.831
local terms energy: -664.227260
where:
bonds (distance) C4'-P energy: -142.413
bonds (distance) P-C4' energy: -131.753
flat angles C4'-P-C4' energy: -140.583
flat angles P-C4'-P energy: -82.018
tors. eta vs tors. theta energy: -167.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1937.600649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.600649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.600649 (E_RNA)
where:
Base-Base interactions energy: -1271.904
where: short stacking energy: -570.173
Base-Backbone interact. energy: -3.206
local terms energy: -662.490374
where:
bonds (distance) C4'-P energy: -129.273
bonds (distance) P-C4' energy: -133.434
flat angles C4'-P-C4' energy: -140.064
flat angles P-C4'-P energy: -99.159
tors. eta vs tors. theta energy: -160.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1268.618376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.618376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.618376 (E_RNA)
where:
Base-Base interactions energy: -768.103
where: short stacking energy: -353.708
Base-Backbone interact. energy: 7.798
local terms energy: -508.312835
where:
bonds (distance) C4'-P energy: -110.949
bonds (distance) P-C4' energy: -140.511
flat angles C4'-P-C4' energy: -120.086
flat angles P-C4'-P energy: -74.625
tors. eta vs tors. theta energy: -62.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1088.759059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.759059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.759059 (E_RNA)
where:
Base-Base interactions energy: -623.193
where: short stacking energy: -333.047
Base-Backbone interact. energy: -3.115
local terms energy: -462.451796
where:
bonds (distance) C4'-P energy: -107.773
bonds (distance) P-C4' energy: -124.389
flat angles C4'-P-C4' energy: -120.510
flat angles P-C4'-P energy: -72.478
tors. eta vs tors. theta energy: -37.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -867.047341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.047341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.047341 (E_RNA)
where:
Base-Base interactions energy: -479.512
where: short stacking energy: -255.622
Base-Backbone interact. energy: 8.978
local terms energy: -396.512610
where:
bonds (distance) C4'-P energy: -121.816
bonds (distance) P-C4' energy: -107.905
flat angles C4'-P-C4' energy: -106.436
flat angles P-C4'-P energy: -64.579
tors. eta vs tors. theta energy: 4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2646.829981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.829981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.829981 (E_RNA)
where:
Base-Base interactions energy: -1841.656
where: short stacking energy: -797.543
Base-Backbone interact. energy: -2.141
local terms energy: -803.033065
where:
bonds (distance) C4'-P energy: -141.454
bonds (distance) P-C4' energy: -155.822
flat angles C4'-P-C4' energy: -163.537
flat angles P-C4'-P energy: -101.743
tors. eta vs tors. theta energy: -240.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2591.337332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.337332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.337332 (E_RNA)
where:
Base-Base interactions energy: -1785.965
where: short stacking energy: -749.844
Base-Backbone interact. energy: -5.004
local terms energy: -800.367843
where:
bonds (distance) C4'-P energy: -148.166
bonds (distance) P-C4' energy: -140.327
flat angles C4'-P-C4' energy: -169.327
flat angles P-C4'-P energy: -107.922
tors. eta vs tors. theta energy: -234.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2491.203714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.203714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.203714 (E_RNA)
where:
Base-Base interactions energy: -1771.561
where: short stacking energy: -699.100
Base-Backbone interact. energy: -1.551
local terms energy: -718.092403
where:
bonds (distance) C4'-P energy: -144.297
bonds (distance) P-C4' energy: -142.639
flat angles C4'-P-C4' energy: -154.729
flat angles P-C4'-P energy: -96.609
tors. eta vs tors. theta energy: -179.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2336.382367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.382367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.382367 (E_RNA)
where:
Base-Base interactions energy: -1612.573
where: short stacking energy: -696.898
Base-Backbone interact. energy: -2.151
local terms energy: -721.657863
where:
bonds (distance) C4'-P energy: -122.774
bonds (distance) P-C4' energy: -130.480
flat angles C4'-P-C4' energy: -157.638
flat angles P-C4'-P energy: -104.225
tors. eta vs tors. theta energy: -206.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2127.072760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.072760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.072760 (E_RNA)
where:
Base-Base interactions energy: -1424.626
where: short stacking energy: -606.517
Base-Backbone interact. energy: -1.764
local terms energy: -700.682715
where:
bonds (distance) C4'-P energy: -137.955
bonds (distance) P-C4' energy: -133.661
flat angles C4'-P-C4' energy: -157.117
flat angles P-C4'-P energy: -105.024
tors. eta vs tors. theta energy: -166.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2031.892544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.892544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.892544 (E_RNA)
where:
Base-Base interactions energy: -1369.154
where: short stacking energy: -578.984
Base-Backbone interact. energy: -5.060
local terms energy: -657.678735
where:
bonds (distance) C4'-P energy: -122.109
bonds (distance) P-C4' energy: -134.493
flat angles C4'-P-C4' energy: -141.008
flat angles P-C4'-P energy: -93.683
tors. eta vs tors. theta energy: -166.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1884.870088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.870088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.870088 (E_RNA)
where:
Base-Base interactions energy: -1261.031
where: short stacking energy: -559.467
Base-Backbone interact. energy: -2.688
local terms energy: -621.150674
where:
bonds (distance) C4'-P energy: -106.587
bonds (distance) P-C4' energy: -137.903
flat angles C4'-P-C4' energy: -144.596
flat angles P-C4'-P energy: -85.647
tors. eta vs tors. theta energy: -146.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1279.455002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.455002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.455002 (E_RNA)
where:
Base-Base interactions energy: -771.887
where: short stacking energy: -373.227
Base-Backbone interact. energy: -0.323
local terms energy: -507.244909
where:
bonds (distance) C4'-P energy: -118.735
bonds (distance) P-C4' energy: -137.251
flat angles C4'-P-C4' energy: -122.096
flat angles P-C4'-P energy: -64.908
tors. eta vs tors. theta energy: -64.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1047.066929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.066929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.066929 (E_RNA)
where:
Base-Base interactions energy: -617.151
where: short stacking energy: -309.726
Base-Backbone interact. energy: -0.968
local terms energy: -428.948035
where:
bonds (distance) C4'-P energy: -102.598
bonds (distance) P-C4' energy: -125.675
flat angles C4'-P-C4' energy: -96.365
flat angles P-C4'-P energy: -61.536
tors. eta vs tors. theta energy: -42.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -835.992488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.992488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.992488 (E_RNA)
where:
Base-Base interactions energy: -428.019
where: short stacking energy: -233.329
Base-Backbone interact. energy: -3.641
local terms energy: -404.332443
where:
bonds (distance) C4'-P energy: -122.307
bonds (distance) P-C4' energy: -117.625
flat angles C4'-P-C4' energy: -111.181
flat angles P-C4'-P energy: -50.200
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2639.494664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.494664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.494664 (E_RNA)
where:
Base-Base interactions energy: -1812.978
where: short stacking energy: -796.172
Base-Backbone interact. energy: -4.479
local terms energy: -822.038074
where:
bonds (distance) C4'-P energy: -137.866
bonds (distance) P-C4' energy: -147.730
flat angles C4'-P-C4' energy: -174.584
flat angles P-C4'-P energy: -115.577
tors. eta vs tors. theta energy: -246.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2593.118522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.118522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.118522 (E_RNA)
where:
Base-Base interactions energy: -1801.174
where: short stacking energy: -763.237
Base-Backbone interact. energy: -3.137
local terms energy: -788.807101
where:
bonds (distance) C4'-P energy: -140.968
bonds (distance) P-C4' energy: -149.143
flat angles C4'-P-C4' energy: -161.826
flat angles P-C4'-P energy: -111.856
tors. eta vs tors. theta energy: -225.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2481.649549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.649549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.649549 (E_RNA)
where:
Base-Base interactions energy: -1742.155
where: short stacking energy: -709.990
Base-Backbone interact. energy: -3.754
local terms energy: -735.740400
where:
bonds (distance) C4'-P energy: -145.680
bonds (distance) P-C4' energy: -130.589
flat angles C4'-P-C4' energy: -154.885
flat angles P-C4'-P energy: -108.066
tors. eta vs tors. theta energy: -196.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2342.652636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.652636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.652636 (E_RNA)
where:
Base-Base interactions energy: -1608.105
where: short stacking energy: -693.476
Base-Backbone interact. energy: 3.258
local terms energy: -737.805583
where:
bonds (distance) C4'-P energy: -123.675
bonds (distance) P-C4' energy: -128.570
flat angles C4'-P-C4' energy: -155.050
flat angles P-C4'-P energy: -115.945
tors. eta vs tors. theta energy: -214.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2118.726386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.726386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.726386 (E_RNA)
where:
Base-Base interactions energy: -1419.047
where: short stacking energy: -608.770
Base-Backbone interact. energy: -1.546
local terms energy: -698.133437
where:
bonds (distance) C4'-P energy: -135.155
bonds (distance) P-C4' energy: -136.304
flat angles C4'-P-C4' energy: -151.955
flat angles P-C4'-P energy: -104.538
tors. eta vs tors. theta energy: -170.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1977.168152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.168152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.168152 (E_RNA)
where:
Base-Base interactions energy: -1340.994
where: short stacking energy: -577.180
Base-Backbone interact. energy: -3.485
local terms energy: -632.688698
where:
bonds (distance) C4'-P energy: -116.916
bonds (distance) P-C4' energy: -122.692
flat angles C4'-P-C4' energy: -145.760
flat angles P-C4'-P energy: -86.920
tors. eta vs tors. theta energy: -160.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1893.127505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.127505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.127505 (E_RNA)
where:
Base-Base interactions energy: -1272.793
where: short stacking energy: -597.809
Base-Backbone interact. energy: -1.416
local terms energy: -618.918658
where:
bonds (distance) C4'-P energy: -128.647
bonds (distance) P-C4' energy: -127.716
flat angles C4'-P-C4' energy: -124.568
flat angles P-C4'-P energy: -87.652
tors. eta vs tors. theta energy: -150.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1262.997895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.997895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.997895 (E_RNA)
where:
Base-Base interactions energy: -768.931
where: short stacking energy: -366.734
Base-Backbone interact. energy: -2.880
local terms energy: -491.186539
where:
bonds (distance) C4'-P energy: -122.883
bonds (distance) P-C4' energy: -118.268
flat angles C4'-P-C4' energy: -120.103
flat angles P-C4'-P energy: -59.712
tors. eta vs tors. theta energy: -70.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1104.669770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.669770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.669770 (E_RNA)
where:
Base-Base interactions energy: -617.304
where: short stacking energy: -342.106
Base-Backbone interact. energy: 0.800
local terms energy: -488.165949
where:
bonds (distance) C4'-P energy: -114.048
bonds (distance) P-C4' energy: -112.079
flat angles C4'-P-C4' energy: -130.152
flat angles P-C4'-P energy: -79.095
tors. eta vs tors. theta energy: -52.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -828.504983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.504983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.504983 (E_RNA)
where:
Base-Base interactions energy: -414.234
where: short stacking energy: -230.341
Base-Backbone interact. energy: -2.376
local terms energy: -411.894933
where:
bonds (distance) C4'-P energy: -92.100
bonds (distance) P-C4' energy: -128.690
flat angles C4'-P-C4' energy: -109.213
flat angles P-C4'-P energy: -73.285
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2631.731967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.731967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.731967 (E_RNA)
where:
Base-Base interactions energy: -1818.292
where: short stacking energy: -791.597
Base-Backbone interact. energy: -4.297
local terms energy: -809.143348
where:
bonds (distance) C4'-P energy: -133.864
bonds (distance) P-C4' energy: -162.232
flat angles C4'-P-C4' energy: -160.556
flat angles P-C4'-P energy: -110.495
tors. eta vs tors. theta energy: -241.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2641.403407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.403407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.403407 (E_RNA)
where:
Base-Base interactions energy: -1828.411
where: short stacking energy: -768.688
Base-Backbone interact. energy: -4.036
local terms energy: -808.956635
where:
bonds (distance) C4'-P energy: -141.261
bonds (distance) P-C4' energy: -155.616
flat angles C4'-P-C4' energy: -170.259
flat angles P-C4'-P energy: -104.284
tors. eta vs tors. theta energy: -237.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2475.999429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.999429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.999429 (E_RNA)
where:
Base-Base interactions energy: -1725.276
where: short stacking energy: -700.961
Base-Backbone interact. energy: -0.250
local terms energy: -750.473341
where:
bonds (distance) C4'-P energy: -146.020
bonds (distance) P-C4' energy: -140.594
flat angles C4'-P-C4' energy: -168.212
flat angles P-C4'-P energy: -102.172
tors. eta vs tors. theta energy: -193.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2353.062713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.062713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.062713 (E_RNA)
where:
Base-Base interactions energy: -1603.299
where: short stacking energy: -669.762
Base-Backbone interact. energy: -4.860
local terms energy: -744.903256
where:
bonds (distance) C4'-P energy: -132.162
bonds (distance) P-C4' energy: -141.433
flat angles C4'-P-C4' energy: -160.385
flat angles P-C4'-P energy: -100.767
tors. eta vs tors. theta energy: -210.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2068.945895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.945895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.945895 (E_RNA)
where:
Base-Base interactions energy: -1385.124
where: short stacking energy: -613.588
Base-Backbone interact. energy: -0.160
local terms energy: -683.661820
where:
bonds (distance) C4'-P energy: -122.873
bonds (distance) P-C4' energy: -134.980
flat angles C4'-P-C4' energy: -156.428
flat angles P-C4'-P energy: -106.029
tors. eta vs tors. theta energy: -163.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1887.504704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.504704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.504704 (E_RNA)
where:
Base-Base interactions energy: -1264.107
where: short stacking energy: -565.150
Base-Backbone interact. energy: -2.092
local terms energy: -621.305465
where:
bonds (distance) C4'-P energy: -114.231
bonds (distance) P-C4' energy: -134.629
flat angles C4'-P-C4' energy: -135.364
flat angles P-C4'-P energy: -81.176
tors. eta vs tors. theta energy: -155.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1912.826453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.826453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.826453 (E_RNA)
where:
Base-Base interactions energy: -1281.718
where: short stacking energy: -603.502
Base-Backbone interact. energy: -0.929
local terms energy: -630.179058
where:
bonds (distance) C4'-P energy: -120.622
bonds (distance) P-C4' energy: -120.185
flat angles C4'-P-C4' energy: -144.334
flat angles P-C4'-P energy: -86.192
tors. eta vs tors. theta energy: -158.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1286.995806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.995806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.995806 (E_RNA)
where:
Base-Base interactions energy: -807.797
where: short stacking energy: -376.762
Base-Backbone interact. energy: -1.182
local terms energy: -478.017000
where:
bonds (distance) C4'-P energy: -128.368
bonds (distance) P-C4' energy: -108.994
flat angles C4'-P-C4' energy: -113.681
flat angles P-C4'-P energy: -68.921
tors. eta vs tors. theta energy: -58.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1057.346239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.346239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.346239 (E_RNA)
where:
Base-Base interactions energy: -610.927
where: short stacking energy: -315.396
Base-Backbone interact. energy: 1.317
local terms energy: -447.735858
where:
bonds (distance) C4'-P energy: -102.434
bonds (distance) P-C4' energy: -121.692
flat angles C4'-P-C4' energy: -119.407
flat angles P-C4'-P energy: -68.093
tors. eta vs tors. theta energy: -36.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -821.679071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.679071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.679071 (E_RNA)
where:
Base-Base interactions energy: -404.008
where: short stacking energy: -231.812
Base-Backbone interact. energy: 2.348
local terms energy: -420.019229
where:
bonds (distance) C4'-P energy: -122.946
bonds (distance) P-C4' energy: -120.661
flat angles C4'-P-C4' energy: -109.186
flat angles P-C4'-P energy: -52.550
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2657.805061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.805061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.805061 (E_RNA)
where:
Base-Base interactions energy: -1811.399
where: short stacking energy: -767.477
Base-Backbone interact. energy: -2.384
local terms energy: -844.021484
where:
bonds (distance) C4'-P energy: -148.036
bonds (distance) P-C4' energy: -152.113
flat angles C4'-P-C4' energy: -175.442
flat angles P-C4'-P energy: -125.356
tors. eta vs tors. theta energy: -243.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2543.122740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.122740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.122740 (E_RNA)
where:
Base-Base interactions energy: -1748.709
where: short stacking energy: -772.769
Base-Backbone interact. energy: -1.216
local terms energy: -793.196890
where:
bonds (distance) C4'-P energy: -132.578
bonds (distance) P-C4' energy: -143.378
flat angles C4'-P-C4' energy: -166.380
flat angles P-C4'-P energy: -111.562
tors. eta vs tors. theta energy: -239.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2466.931961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.931961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.931961 (E_RNA)
where:
Base-Base interactions energy: -1746.704
where: short stacking energy: -724.404
Base-Backbone interact. energy: -0.968
local terms energy: -719.259767
where:
bonds (distance) C4'-P energy: -139.765
bonds (distance) P-C4' energy: -115.723
flat angles C4'-P-C4' energy: -162.914
flat angles P-C4'-P energy: -111.896
tors. eta vs tors. theta energy: -188.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2382.590753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.590753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.590753 (E_RNA)
where:
Base-Base interactions energy: -1652.093
where: short stacking energy: -670.483
Base-Backbone interact. energy: 1.455
local terms energy: -731.952811
where:
bonds (distance) C4'-P energy: -143.558
bonds (distance) P-C4' energy: -134.768
flat angles C4'-P-C4' energy: -147.083
flat angles P-C4'-P energy: -96.549
tors. eta vs tors. theta energy: -209.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2096.763032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.763032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.763032 (E_RNA)
where:
Base-Base interactions energy: -1422.000
where: short stacking energy: -628.604
Base-Backbone interact. energy: -3.406
local terms energy: -671.356253
where:
bonds (distance) C4'-P energy: -130.857
bonds (distance) P-C4' energy: -120.084
flat angles C4'-P-C4' energy: -154.126
flat angles P-C4'-P energy: -93.452
tors. eta vs tors. theta energy: -172.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1828.009117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.009117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.009117 (E_RNA)
where:
Base-Base interactions energy: -1211.019
where: short stacking energy: -525.496
Base-Backbone interact. energy: 1.158
local terms energy: -618.148658
where:
bonds (distance) C4'-P energy: -112.715
bonds (distance) P-C4' energy: -128.792
flat angles C4'-P-C4' energy: -131.346
flat angles P-C4'-P energy: -96.091
tors. eta vs tors. theta energy: -149.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1900.664292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.664292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.664292 (E_RNA)
where:
Base-Base interactions energy: -1271.455
where: short stacking energy: -541.685
Base-Backbone interact. energy: 3.225
local terms energy: -632.434351
where:
bonds (distance) C4'-P energy: -121.374
bonds (distance) P-C4' energy: -123.825
flat angles C4'-P-C4' energy: -137.806
flat angles P-C4'-P energy: -89.519
tors. eta vs tors. theta energy: -159.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1285.118365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.118365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.118365 (E_RNA)
where:
Base-Base interactions energy: -803.806
where: short stacking energy: -370.897
Base-Backbone interact. energy: -0.593
local terms energy: -480.719901
where:
bonds (distance) C4'-P energy: -129.977
bonds (distance) P-C4' energy: -118.846
flat angles C4'-P-C4' energy: -122.609
flat angles P-C4'-P energy: -64.037
tors. eta vs tors. theta energy: -45.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1048.314675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.314675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.314675 (E_RNA)
where:
Base-Base interactions energy: -615.662
where: short stacking energy: -318.201
Base-Backbone interact. energy: 1.011
local terms energy: -433.663152
where:
bonds (distance) C4'-P energy: -103.627
bonds (distance) P-C4' energy: -120.591
flat angles C4'-P-C4' energy: -110.812
flat angles P-C4'-P energy: -59.395
tors. eta vs tors. theta energy: -39.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -852.831127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.831127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.831127 (E_RNA)
where:
Base-Base interactions energy: -439.464
where: short stacking energy: -236.372
Base-Backbone interact. energy: 0.072
local terms energy: -413.439050
where:
bonds (distance) C4'-P energy: -97.526
bonds (distance) P-C4' energy: -141.926
flat angles C4'-P-C4' energy: -108.231
flat angles P-C4'-P energy: -59.928
tors. eta vs tors. theta energy: -5.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2671.570315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.570315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.570315 (E_RNA)
where:
Base-Base interactions energy: -1854.475
where: short stacking energy: -771.892
Base-Backbone interact. energy: -3.715
local terms energy: -813.379997
where:
bonds (distance) C4'-P energy: -140.198
bonds (distance) P-C4' energy: -150.637
flat angles C4'-P-C4' energy: -165.438
flat angles P-C4'-P energy: -111.438
tors. eta vs tors. theta energy: -245.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2566.748118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.748118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.748118 (E_RNA)
where:
Base-Base interactions energy: -1764.785
where: short stacking energy: -771.968
Base-Backbone interact. energy: -1.895
local terms energy: -800.067757
where:
bonds (distance) C4'-P energy: -147.674
bonds (distance) P-C4' energy: -142.692
flat angles C4'-P-C4' energy: -169.169
flat angles P-C4'-P energy: -112.305
tors. eta vs tors. theta energy: -228.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2495.939060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.939060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.939060 (E_RNA)
where:
Base-Base interactions energy: -1755.991
where: short stacking energy: -740.852
Base-Backbone interact. energy: -0.908
local terms energy: -739.039557
where:
bonds (distance) C4'-P energy: -129.840
bonds (distance) P-C4' energy: -133.207
flat angles C4'-P-C4' energy: -162.877
flat angles P-C4'-P energy: -118.439
tors. eta vs tors. theta energy: -194.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2355.824769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.824769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.824769 (E_RNA)
where:
Base-Base interactions energy: -1641.110
where: short stacking energy: -697.826
Base-Backbone interact. energy: -0.447
local terms energy: -714.268472
where:
bonds (distance) C4'-P energy: -126.828
bonds (distance) P-C4' energy: -129.122
flat angles C4'-P-C4' energy: -150.625
flat angles P-C4'-P energy: -95.443
tors. eta vs tors. theta energy: -212.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2108.400904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.400904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.400904 (E_RNA)
where:
Base-Base interactions energy: -1427.932
where: short stacking energy: -599.699
Base-Backbone interact. energy: 4.202
local terms energy: -684.671198
where:
bonds (distance) C4'-P energy: -129.421
bonds (distance) P-C4' energy: -143.824
flat angles C4'-P-C4' energy: -137.755
flat angles P-C4'-P energy: -100.458
tors. eta vs tors. theta energy: -173.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1933.591979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.591979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.591979 (E_RNA)
where:
Base-Base interactions energy: -1322.577
where: short stacking energy: -555.149
Base-Backbone interact. energy: -3.403
local terms energy: -607.612678
where:
bonds (distance) C4'-P energy: -127.528
bonds (distance) P-C4' energy: -128.136
flat angles C4'-P-C4' energy: -127.853
flat angles P-C4'-P energy: -89.004
tors. eta vs tors. theta energy: -135.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1786.603923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.603923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.603923 (E_RNA)
where:
Base-Base interactions energy: -1212.563
where: short stacking energy: -552.009
Base-Backbone interact. energy: 0.019
local terms energy: -574.059956
where:
bonds (distance) C4'-P energy: -114.659
bonds (distance) P-C4' energy: -128.950
flat angles C4'-P-C4' energy: -114.441
flat angles P-C4'-P energy: -81.575
tors. eta vs tors. theta energy: -134.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1340.754850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.754850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.754850 (E_RNA)
where:
Base-Base interactions energy: -827.696
where: short stacking energy: -419.370
Base-Backbone interact. energy: 1.218
local terms energy: -514.276718
where:
bonds (distance) C4'-P energy: -122.963
bonds (distance) P-C4' energy: -124.103
flat angles C4'-P-C4' energy: -98.482
flat angles P-C4'-P energy: -78.231
tors. eta vs tors. theta energy: -90.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1074.259606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.259606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.259606 (E_RNA)
where:
Base-Base interactions energy: -638.503
where: short stacking energy: -314.320
Base-Backbone interact. energy: 3.421
local terms energy: -439.178350
where:
bonds (distance) C4'-P energy: -123.427
bonds (distance) P-C4' energy: -119.186
flat angles C4'-P-C4' energy: -84.746
flat angles P-C4'-P energy: -71.331
tors. eta vs tors. theta energy: -40.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -882.788667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.788667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.788667 (E_RNA)
where:
Base-Base interactions energy: -464.782
where: short stacking energy: -255.966
Base-Backbone interact. energy: 7.243
local terms energy: -425.249534
where:
bonds (distance) C4'-P energy: -118.618
bonds (distance) P-C4' energy: -118.967
flat angles C4'-P-C4' energy: -95.549
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2668.054990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.054990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.054990 (E_RNA)
where:
Base-Base interactions energy: -1846.437
where: short stacking energy: -794.342
Base-Backbone interact. energy: -3.885
local terms energy: -817.733421
where:
bonds (distance) C4'-P energy: -137.388
bonds (distance) P-C4' energy: -147.718
flat angles C4'-P-C4' energy: -169.368
flat angles P-C4'-P energy: -128.174
tors. eta vs tors. theta energy: -235.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2571.424502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.424502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.424502 (E_RNA)
where:
Base-Base interactions energy: -1757.490
where: short stacking energy: -769.277
Base-Backbone interact. energy: -2.515
local terms energy: -811.419192
where:
bonds (distance) C4'-P energy: -147.005
bonds (distance) P-C4' energy: -132.145
flat angles C4'-P-C4' energy: -175.805
flat angles P-C4'-P energy: -118.760
tors. eta vs tors. theta energy: -237.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2444.034658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.034658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.034658 (E_RNA)
where:
Base-Base interactions energy: -1721.188
where: short stacking energy: -695.653
Base-Backbone interact. energy: -3.203
local terms energy: -719.644337
where:
bonds (distance) C4'-P energy: -124.467
bonds (distance) P-C4' energy: -144.184
flat angles C4'-P-C4' energy: -156.917
flat angles P-C4'-P energy: -101.997
tors. eta vs tors. theta energy: -192.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2298.545913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.545913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.545913 (E_RNA)
where:
Base-Base interactions energy: -1597.147
where: short stacking energy: -682.975
Base-Backbone interact. energy: -1.707
local terms energy: -699.691243
where:
bonds (distance) C4'-P energy: -121.704
bonds (distance) P-C4' energy: -126.200
flat angles C4'-P-C4' energy: -154.303
flat angles P-C4'-P energy: -100.087
tors. eta vs tors. theta energy: -197.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2098.914355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.914355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.914355 (E_RNA)
where:
Base-Base interactions energy: -1433.592
where: short stacking energy: -601.794
Base-Backbone interact. energy: 4.583
local terms energy: -669.905634
where:
bonds (distance) C4'-P energy: -133.126
bonds (distance) P-C4' energy: -139.123
flat angles C4'-P-C4' energy: -148.991
flat angles P-C4'-P energy: -85.421
tors. eta vs tors. theta energy: -163.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2010.951012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.951012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.951012 (E_RNA)
where:
Base-Base interactions energy: -1385.605
where: short stacking energy: -575.881
Base-Backbone interact. energy: -0.263
local terms energy: -625.082963
where:
bonds (distance) C4'-P energy: -127.164
bonds (distance) P-C4' energy: -120.853
flat angles C4'-P-C4' energy: -136.394
flat angles P-C4'-P energy: -105.118
tors. eta vs tors. theta energy: -135.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1765.154592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.154592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.154592 (E_RNA)
where:
Base-Base interactions energy: -1149.355
where: short stacking energy: -510.346
Base-Backbone interact. energy: 0.154
local terms energy: -615.953747
where:
bonds (distance) C4'-P energy: -132.297
bonds (distance) P-C4' energy: -115.232
flat angles C4'-P-C4' energy: -149.757
flat angles P-C4'-P energy: -88.850
tors. eta vs tors. theta energy: -129.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1360.780314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.780314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.780314 (E_RNA)
where:
Base-Base interactions energy: -839.773
where: short stacking energy: -387.431
Base-Backbone interact. energy: -0.267
local terms energy: -520.741194
where:
bonds (distance) C4'-P energy: -125.151
bonds (distance) P-C4' energy: -140.446
flat angles C4'-P-C4' energy: -109.592
flat angles P-C4'-P energy: -81.738
tors. eta vs tors. theta energy: -63.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1068.718892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.718892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.718892 (E_RNA)
where:
Base-Base interactions energy: -611.589
where: short stacking energy: -292.558
Base-Backbone interact. energy: -1.265
local terms energy: -455.864563
where:
bonds (distance) C4'-P energy: -115.533
bonds (distance) P-C4' energy: -99.776
flat angles C4'-P-C4' energy: -124.459
flat angles P-C4'-P energy: -79.112
tors. eta vs tors. theta energy: -36.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -912.412034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.412034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.412034 (E_RNA)
where:
Base-Base interactions energy: -490.007
where: short stacking energy: -271.198
Base-Backbone interact. energy: -0.154
local terms energy: -422.250948
where:
bonds (distance) C4'-P energy: -115.024
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -109.199
flat angles P-C4'-P energy: -51.288
tors. eta vs tors. theta energy: -30.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2673.995840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.995840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.995840 (E_RNA)
where:
Base-Base interactions energy: -1852.543
where: short stacking energy: -790.228
Base-Backbone interact. energy: -4.035
local terms energy: -817.417559
where:
bonds (distance) C4'-P energy: -152.734
bonds (distance) P-C4' energy: -136.461
flat angles C4'-P-C4' energy: -170.970
flat angles P-C4'-P energy: -115.357
tors. eta vs tors. theta energy: -241.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2563.261221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.261221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.261221 (E_RNA)
where:
Base-Base interactions energy: -1769.535
where: short stacking energy: -763.616
Base-Backbone interact. energy: -2.207
local terms energy: -791.519968
where:
bonds (distance) C4'-P energy: -128.532
bonds (distance) P-C4' energy: -153.689
flat angles C4'-P-C4' energy: -168.939
flat angles P-C4'-P energy: -112.006
tors. eta vs tors. theta energy: -228.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2439.551138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.551138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.551138 (E_RNA)
where:
Base-Base interactions energy: -1688.072
where: short stacking energy: -695.733
Base-Backbone interact. energy: -3.546
local terms energy: -747.933359
where:
bonds (distance) C4'-P energy: -139.184
bonds (distance) P-C4' energy: -133.046
flat angles C4'-P-C4' energy: -164.362
flat angles P-C4'-P energy: -106.625
tors. eta vs tors. theta energy: -204.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2316.913667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.913667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.913667 (E_RNA)
where:
Base-Base interactions energy: -1610.499
where: short stacking energy: -662.496
Base-Backbone interact. energy: 2.317
local terms energy: -708.731690
where:
bonds (distance) C4'-P energy: -125.019
bonds (distance) P-C4' energy: -116.769
flat angles C4'-P-C4' energy: -159.663
flat angles P-C4'-P energy: -118.988
tors. eta vs tors. theta energy: -188.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2130.763932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.763932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.763932 (E_RNA)
where:
Base-Base interactions energy: -1431.704
where: short stacking energy: -597.546
Base-Backbone interact. energy: -1.702
local terms energy: -697.357896
where:
bonds (distance) C4'-P energy: -119.804
bonds (distance) P-C4' energy: -135.006
flat angles C4'-P-C4' energy: -161.676
flat angles P-C4'-P energy: -98.864
tors. eta vs tors. theta energy: -182.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2059.200072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.200072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.200072 (E_RNA)
where:
Base-Base interactions energy: -1411.446
where: short stacking energy: -626.417
Base-Backbone interact. energy: 3.814
local terms energy: -651.567774
where:
bonds (distance) C4'-P energy: -119.708
bonds (distance) P-C4' energy: -133.053
flat angles C4'-P-C4' energy: -140.715
flat angles P-C4'-P energy: -91.488
tors. eta vs tors. theta energy: -166.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1750.957032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.957032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.957032 (E_RNA)
where:
Base-Base interactions energy: -1162.516
where: short stacking energy: -491.392
Base-Backbone interact. energy: -1.960
local terms energy: -586.480875
where:
bonds (distance) C4'-P energy: -129.441
bonds (distance) P-C4' energy: -123.090
flat angles C4'-P-C4' energy: -120.185
flat angles P-C4'-P energy: -80.949
tors. eta vs tors. theta energy: -132.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1416.014603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.014603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.014603 (E_RNA)
where:
Base-Base interactions energy: -880.711
where: short stacking energy: -416.942
Base-Backbone interact. energy: 1.697
local terms energy: -537.000706
where:
bonds (distance) C4'-P energy: -100.244
bonds (distance) P-C4' energy: -137.196
flat angles C4'-P-C4' energy: -139.667
flat angles P-C4'-P energy: -77.176
tors. eta vs tors. theta energy: -82.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1059.310451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.310451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.310451 (E_RNA)
where:
Base-Base interactions energy: -609.328
where: short stacking energy: -300.424
Base-Backbone interact. energy: 7.904
local terms energy: -457.886059
where:
bonds (distance) C4'-P energy: -108.643
bonds (distance) P-C4' energy: -124.539
flat angles C4'-P-C4' energy: -127.537
flat angles P-C4'-P energy: -62.543
tors. eta vs tors. theta energy: -34.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -842.761221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.761221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.761221 (E_RNA)
where:
Base-Base interactions energy: -413.868
where: short stacking energy: -228.706
Base-Backbone interact. energy: 1.073
local terms energy: -429.966588
where:
bonds (distance) C4'-P energy: -120.286
bonds (distance) P-C4' energy: -129.701
flat angles C4'-P-C4' energy: -102.621
flat angles P-C4'-P energy: -66.307
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2647.260080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.260080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.260080 (E_RNA)
where:
Base-Base interactions energy: -1846.391
where: short stacking energy: -774.819
Base-Backbone interact. energy: -4.785
local terms energy: -796.083586
where:
bonds (distance) C4'-P energy: -155.587
bonds (distance) P-C4' energy: -132.972
flat angles C4'-P-C4' energy: -156.470
flat angles P-C4'-P energy: -111.542
tors. eta vs tors. theta energy: -239.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2590.712119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.712119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.712119 (E_RNA)
where:
Base-Base interactions energy: -1792.386
where: short stacking energy: -793.235
Base-Backbone interact. energy: -1.290
local terms energy: -797.035712
where:
bonds (distance) C4'-P energy: -130.816
bonds (distance) P-C4' energy: -140.115
flat angles C4'-P-C4' energy: -168.994
flat angles P-C4'-P energy: -114.783
tors. eta vs tors. theta energy: -242.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2448.733049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.733049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.733049 (E_RNA)
where:
Base-Base interactions energy: -1723.596
where: short stacking energy: -710.104
Base-Backbone interact. energy: -0.491
local terms energy: -724.645504
where:
bonds (distance) C4'-P energy: -122.026
bonds (distance) P-C4' energy: -125.996
flat angles C4'-P-C4' energy: -165.662
flat angles P-C4'-P energy: -120.229
tors. eta vs tors. theta energy: -190.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2318.775973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.775973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.775973 (E_RNA)
where:
Base-Base interactions energy: -1594.539
where: short stacking energy: -681.712
Base-Backbone interact. energy: -2.313
local terms energy: -721.924485
where:
bonds (distance) C4'-P energy: -135.043
bonds (distance) P-C4' energy: -136.768
flat angles C4'-P-C4' energy: -144.987
flat angles P-C4'-P energy: -104.130
tors. eta vs tors. theta energy: -200.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2118.251111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.251111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.251111 (E_RNA)
where:
Base-Base interactions energy: -1456.285
where: short stacking energy: -630.659
Base-Backbone interact. energy: -4.672
local terms energy: -657.294236
where:
bonds (distance) C4'-P energy: -132.823
bonds (distance) P-C4' energy: -128.052
flat angles C4'-P-C4' energy: -145.442
flat angles P-C4'-P energy: -81.851
tors. eta vs tors. theta energy: -169.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2008.025180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.025180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.025180 (E_RNA)
where:
Base-Base interactions energy: -1348.184
where: short stacking energy: -598.246
Base-Backbone interact. energy: -0.365
local terms energy: -659.476453
where:
bonds (distance) C4'-P energy: -138.959
bonds (distance) P-C4' energy: -139.761
flat angles C4'-P-C4' energy: -142.071
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -166.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1744.774584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.774584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.774584 (E_RNA)
where:
Base-Base interactions energy: -1168.328
where: short stacking energy: -525.406
Base-Backbone interact. energy: 1.187
local terms energy: -577.633607
where:
bonds (distance) C4'-P energy: -115.132
bonds (distance) P-C4' energy: -105.538
flat angles C4'-P-C4' energy: -139.318
flat angles P-C4'-P energy: -90.163
tors. eta vs tors. theta energy: -127.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1333.139112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.139112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.139112 (E_RNA)
where:
Base-Base interactions energy: -848.351
where: short stacking energy: -378.129
Base-Backbone interact. energy: 0.761
local terms energy: -485.549293
where:
bonds (distance) C4'-P energy: -120.123
bonds (distance) P-C4' energy: -121.369
flat angles C4'-P-C4' energy: -117.085
flat angles P-C4'-P energy: -66.561
tors. eta vs tors. theta energy: -60.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1106.268881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.268881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.268881 (E_RNA)
where:
Base-Base interactions energy: -626.877
where: short stacking energy: -304.781
Base-Backbone interact. energy: 0.534
local terms energy: -479.925668
where:
bonds (distance) C4'-P energy: -119.710
bonds (distance) P-C4' energy: -132.642
flat angles C4'-P-C4' energy: -120.721
flat angles P-C4'-P energy: -60.184
tors. eta vs tors. theta energy: -46.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -851.533883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.533883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.533883 (E_RNA)
where:
Base-Base interactions energy: -457.364
where: short stacking energy: -232.164
Base-Backbone interact. energy: -2.330
local terms energy: -391.840287
where:
bonds (distance) C4'-P energy: -131.485
bonds (distance) P-C4' energy: -114.151
flat angles C4'-P-C4' energy: -96.688
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2674.285762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.285762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.285762 (E_RNA)
where:
Base-Base interactions energy: -1858.260
where: short stacking energy: -785.168
Base-Backbone interact. energy: -0.999
local terms energy: -815.027461
where:
bonds (distance) C4'-P energy: -148.763
bonds (distance) P-C4' energy: -149.454
flat angles C4'-P-C4' energy: -170.939
flat angles P-C4'-P energy: -117.997
tors. eta vs tors. theta energy: -227.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2556.796232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.796232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.796232 (E_RNA)
where:
Base-Base interactions energy: -1755.104
where: short stacking energy: -781.432
Base-Backbone interact. energy: -3.902
local terms energy: -797.790500
where:
bonds (distance) C4'-P energy: -136.879
bonds (distance) P-C4' energy: -137.873
flat angles C4'-P-C4' energy: -168.663
flat angles P-C4'-P energy: -113.371
tors. eta vs tors. theta energy: -241.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2450.652352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.652352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.652352 (E_RNA)
where:
Base-Base interactions energy: -1719.435
where: short stacking energy: -722.209
Base-Backbone interact. energy: -4.630
local terms energy: -726.587333
where:
bonds (distance) C4'-P energy: -132.095
bonds (distance) P-C4' energy: -128.551
flat angles C4'-P-C4' energy: -153.347
flat angles P-C4'-P energy: -119.849
tors. eta vs tors. theta energy: -192.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2313.413562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.413562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.413562 (E_RNA)
where:
Base-Base interactions energy: -1604.412
where: short stacking energy: -676.073
Base-Backbone interact. energy: -3.205
local terms energy: -705.795894
where:
bonds (distance) C4'-P energy: -114.237
bonds (distance) P-C4' energy: -132.481
flat angles C4'-P-C4' energy: -160.435
flat angles P-C4'-P energy: -95.253
tors. eta vs tors. theta energy: -203.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2109.514515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.514515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.514515 (E_RNA)
where:
Base-Base interactions energy: -1436.886
where: short stacking energy: -625.015
Base-Backbone interact. energy: -3.053
local terms energy: -669.576151
where:
bonds (distance) C4'-P energy: -129.047
bonds (distance) P-C4' energy: -136.056
flat angles C4'-P-C4' energy: -151.387
flat angles P-C4'-P energy: -91.580
tors. eta vs tors. theta energy: -161.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2036.473078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.473078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.473078 (E_RNA)
where:
Base-Base interactions energy: -1382.014
where: short stacking energy: -629.920
Base-Backbone interact. energy: -3.580
local terms energy: -650.879237
where:
bonds (distance) C4'-P energy: -126.576
bonds (distance) P-C4' energy: -122.850
flat angles C4'-P-C4' energy: -144.201
flat angles P-C4'-P energy: -95.834
tors. eta vs tors. theta energy: -161.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1746.863616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.863616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.863616 (E_RNA)
where:
Base-Base interactions energy: -1186.110
where: short stacking energy: -515.571
Base-Backbone interact. energy: 1.571
local terms energy: -562.325245
where:
bonds (distance) C4'-P energy: -104.723
bonds (distance) P-C4' energy: -112.069
flat angles C4'-P-C4' energy: -135.224
flat angles P-C4'-P energy: -88.560
tors. eta vs tors. theta energy: -121.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1335.398660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.398660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.398660 (E_RNA)
where:
Base-Base interactions energy: -810.480
where: short stacking energy: -406.490
Base-Backbone interact. energy: 4.517
local terms energy: -529.435568
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -124.458
flat angles C4'-P-C4' energy: -106.476
flat angles P-C4'-P energy: -88.753
tors. eta vs tors. theta energy: -91.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1064.426242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.426242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.426242 (E_RNA)
where:
Base-Base interactions energy: -595.084
where: short stacking energy: -301.822
Base-Backbone interact. energy: 2.843
local terms energy: -472.185359
where:
bonds (distance) C4'-P energy: -129.016
bonds (distance) P-C4' energy: -116.103
flat angles C4'-P-C4' energy: -112.065
flat angles P-C4'-P energy: -79.318
tors. eta vs tors. theta energy: -35.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -870.399352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.399352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.399352 (E_RNA)
where:
Base-Base interactions energy: -491.829
where: short stacking energy: -258.251
Base-Backbone interact. energy: 3.088
local terms energy: -381.658187
where:
bonds (distance) C4'-P energy: -92.571
bonds (distance) P-C4' energy: -118.054
flat angles C4'-P-C4' energy: -100.128
flat angles P-C4'-P energy: -56.456
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2645.447272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.447272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.447272 (E_RNA)
where:
Base-Base interactions energy: -1823.566
where: short stacking energy: -772.566
Base-Backbone interact. energy: -1.707
local terms energy: -820.174041
where:
bonds (distance) C4'-P energy: -143.624
bonds (distance) P-C4' energy: -139.759
flat angles C4'-P-C4' energy: -171.236
flat angles P-C4'-P energy: -127.796
tors. eta vs tors. theta energy: -237.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2575.976848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.976848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.976848 (E_RNA)
where:
Base-Base interactions energy: -1751.667
where: short stacking energy: -765.835
Base-Backbone interact. energy: 1.481
local terms energy: -825.790600
where:
bonds (distance) C4'-P energy: -146.309
bonds (distance) P-C4' energy: -149.364
flat angles C4'-P-C4' energy: -173.487
flat angles P-C4'-P energy: -115.792
tors. eta vs tors. theta energy: -240.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2434.321856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.321856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.321856 (E_RNA)
where:
Base-Base interactions energy: -1698.228
where: short stacking energy: -720.339
Base-Backbone interact. energy: -4.353
local terms energy: -731.740160
where:
bonds (distance) C4'-P energy: -138.207
bonds (distance) P-C4' energy: -140.238
flat angles C4'-P-C4' energy: -162.674
flat angles P-C4'-P energy: -93.033
tors. eta vs tors. theta energy: -197.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2315.617309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.617309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.617309 (E_RNA)
where:
Base-Base interactions energy: -1579.297
where: short stacking energy: -654.955
Base-Backbone interact. energy: 1.378
local terms energy: -737.699188
where:
bonds (distance) C4'-P energy: -130.354
bonds (distance) P-C4' energy: -138.738
flat angles C4'-P-C4' energy: -176.360
flat angles P-C4'-P energy: -94.760
tors. eta vs tors. theta energy: -197.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2105.732276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.732276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.732276 (E_RNA)
where:
Base-Base interactions energy: -1403.520
where: short stacking energy: -629.497
Base-Backbone interact. energy: -0.877
local terms energy: -701.335468
where:
bonds (distance) C4'-P energy: -114.637
bonds (distance) P-C4' energy: -130.456
flat angles C4'-P-C4' energy: -156.390
flat angles P-C4'-P energy: -110.114
tors. eta vs tors. theta energy: -189.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2051.500833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.500833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.500833 (E_RNA)
where:
Base-Base interactions energy: -1408.358
where: short stacking energy: -615.448
Base-Backbone interact. energy: -2.205
local terms energy: -640.937744
where:
bonds (distance) C4'-P energy: -112.282
bonds (distance) P-C4' energy: -123.749
flat angles C4'-P-C4' energy: -143.790
flat angles P-C4'-P energy: -92.913
tors. eta vs tors. theta energy: -168.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1804.377578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.377578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.377578 (E_RNA)
where:
Base-Base interactions energy: -1212.844
where: short stacking energy: -522.191
Base-Backbone interact. energy: -4.739
local terms energy: -586.795270
where:
bonds (distance) C4'-P energy: -104.314
bonds (distance) P-C4' energy: -138.007
flat angles C4'-P-C4' energy: -136.672
flat angles P-C4'-P energy: -83.096
tors. eta vs tors. theta energy: -124.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1380.139064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.139064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.139064 (E_RNA)
where:
Base-Base interactions energy: -879.583
where: short stacking energy: -401.897
Base-Backbone interact. energy: -2.946
local terms energy: -497.610219
where:
bonds (distance) C4'-P energy: -111.490
bonds (distance) P-C4' energy: -122.767
flat angles C4'-P-C4' energy: -115.885
flat angles P-C4'-P energy: -74.061
tors. eta vs tors. theta energy: -73.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1062.339255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.339255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.339255 (E_RNA)
where:
Base-Base interactions energy: -596.143
where: short stacking energy: -297.110
Base-Backbone interact. energy: -0.016
local terms energy: -466.180749
where:
bonds (distance) C4'-P energy: -103.283
bonds (distance) P-C4' energy: -120.460
flat angles C4'-P-C4' energy: -120.855
flat angles P-C4'-P energy: -88.280
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -815.281218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.281218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.281218 (E_RNA)
where:
Base-Base interactions energy: -426.172
where: short stacking energy: -239.556
Base-Backbone interact. energy: 2.963
local terms energy: -392.072046
where:
bonds (distance) C4'-P energy: -107.660
bonds (distance) P-C4' energy: -118.709
flat angles C4'-P-C4' energy: -103.858
flat angles P-C4'-P energy: -57.569
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2646.268629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.268629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.268629 (E_RNA)
where:
Base-Base interactions energy: -1836.377
where: short stacking energy: -790.654
Base-Backbone interact. energy: 1.658
local terms energy: -811.549735
where:
bonds (distance) C4'-P energy: -145.143
bonds (distance) P-C4' energy: -142.035
flat angles C4'-P-C4' energy: -167.135
flat angles P-C4'-P energy: -122.434
tors. eta vs tors. theta energy: -234.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2599.684801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.684801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.684801 (E_RNA)
where:
Base-Base interactions energy: -1791.113
where: short stacking energy: -794.704
Base-Backbone interact. energy: -3.539
local terms energy: -805.033141
where:
bonds (distance) C4'-P energy: -140.750
bonds (distance) P-C4' energy: -147.885
flat angles C4'-P-C4' energy: -164.589
flat angles P-C4'-P energy: -110.920
tors. eta vs tors. theta energy: -240.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2419.053925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.053925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.053925 (E_RNA)
where:
Base-Base interactions energy: -1675.418
where: short stacking energy: -686.259
Base-Backbone interact. energy: 0.076
local terms energy: -743.711788
where:
bonds (distance) C4'-P energy: -149.284
bonds (distance) P-C4' energy: -132.561
flat angles C4'-P-C4' energy: -159.336
flat angles P-C4'-P energy: -105.907
tors. eta vs tors. theta energy: -196.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2296.418573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.418573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.418573 (E_RNA)
where:
Base-Base interactions energy: -1582.000
where: short stacking energy: -663.430
Base-Backbone interact. energy: -1.892
local terms energy: -712.525773
where:
bonds (distance) C4'-P energy: -149.777
bonds (distance) P-C4' energy: -136.089
flat angles C4'-P-C4' energy: -142.727
flat angles P-C4'-P energy: -101.988
tors. eta vs tors. theta energy: -181.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2122.524331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.524331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.524331 (E_RNA)
where:
Base-Base interactions energy: -1435.544
where: short stacking energy: -640.820
Base-Backbone interact. energy: -3.850
local terms energy: -683.130397
where:
bonds (distance) C4'-P energy: -132.540
bonds (distance) P-C4' energy: -125.600
flat angles C4'-P-C4' energy: -162.619
flat angles P-C4'-P energy: -79.216
tors. eta vs tors. theta energy: -183.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2034.099196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.099196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.099196 (E_RNA)
where:
Base-Base interactions energy: -1366.550
where: short stacking energy: -579.877
Base-Backbone interact. energy: 2.292
local terms energy: -669.841312
where:
bonds (distance) C4'-P energy: -123.966
bonds (distance) P-C4' energy: -133.452
flat angles C4'-P-C4' energy: -154.390
flat angles P-C4'-P energy: -92.521
tors. eta vs tors. theta energy: -165.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1827.977495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.977495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.977495 (E_RNA)
where:
Base-Base interactions energy: -1258.517
where: short stacking energy: -555.846
Base-Backbone interact. energy: -4.761
local terms energy: -564.699649
where:
bonds (distance) C4'-P energy: -117.229
bonds (distance) P-C4' energy: -113.411
flat angles C4'-P-C4' energy: -139.647
flat angles P-C4'-P energy: -67.322
tors. eta vs tors. theta energy: -127.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1342.641394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.641394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.641394 (E_RNA)
where:
Base-Base interactions energy: -820.176
where: short stacking energy: -387.402
Base-Backbone interact. energy: -0.205
local terms energy: -522.261349
where:
bonds (distance) C4'-P energy: -118.296
bonds (distance) P-C4' energy: -132.876
flat angles C4'-P-C4' energy: -125.590
flat angles P-C4'-P energy: -75.571
tors. eta vs tors. theta energy: -69.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1029.777636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.777636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.777636 (E_RNA)
where:
Base-Base interactions energy: -599.212
where: short stacking energy: -322.994
Base-Backbone interact. energy: -0.660
local terms energy: -429.904874
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -128.894
flat angles C4'-P-C4' energy: -106.103
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -28.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -822.055160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.055160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.055160 (E_RNA)
where:
Base-Base interactions energy: -464.299
where: short stacking energy: -245.596
Base-Backbone interact. energy: 5.321
local terms energy: -363.076971
where:
bonds (distance) C4'-P energy: -119.462
bonds (distance) P-C4' energy: -108.003
flat angles C4'-P-C4' energy: -83.311
flat angles P-C4'-P energy: -56.663
tors. eta vs tors. theta energy: 4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2659.436429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.436429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.436429 (E_RNA)
where:
Base-Base interactions energy: -1842.188
where: short stacking energy: -819.694
Base-Backbone interact. energy: -6.669
local terms energy: -810.579373
where:
bonds (distance) C4'-P energy: -140.734
bonds (distance) P-C4' energy: -134.251
flat angles C4'-P-C4' energy: -175.693
flat angles P-C4'-P energy: -112.314
tors. eta vs tors. theta energy: -247.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2543.321269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.321269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.321269 (E_RNA)
where:
Base-Base interactions energy: -1745.097
where: short stacking energy: -768.235
Base-Backbone interact. energy: -2.159
local terms energy: -796.065680
where:
bonds (distance) C4'-P energy: -151.521
bonds (distance) P-C4' energy: -128.603
flat angles C4'-P-C4' energy: -171.348
flat angles P-C4'-P energy: -112.131
tors. eta vs tors. theta energy: -232.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2429.008098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.008098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.008098 (E_RNA)
where:
Base-Base interactions energy: -1678.277
where: short stacking energy: -725.376
Base-Backbone interact. energy: -3.635
local terms energy: -747.095991
where:
bonds (distance) C4'-P energy: -141.082
bonds (distance) P-C4' energy: -138.951
flat angles C4'-P-C4' energy: -167.485
flat angles P-C4'-P energy: -101.119
tors. eta vs tors. theta energy: -198.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2280.376754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.376754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.376754 (E_RNA)
where:
Base-Base interactions energy: -1578.147
where: short stacking energy: -651.220
Base-Backbone interact. energy: 1.512
local terms energy: -703.742300
where:
bonds (distance) C4'-P energy: -117.599
bonds (distance) P-C4' energy: -131.395
flat angles C4'-P-C4' energy: -160.285
flat angles P-C4'-P energy: -113.624
tors. eta vs tors. theta energy: -180.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2158.277138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.277138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.277138 (E_RNA)
where:
Base-Base interactions energy: -1458.437
where: short stacking energy: -617.612
Base-Backbone interact. energy: -2.477
local terms energy: -697.362946
where:
bonds (distance) C4'-P energy: -128.686
bonds (distance) P-C4' energy: -140.598
flat angles C4'-P-C4' energy: -155.275
flat angles P-C4'-P energy: -98.610
tors. eta vs tors. theta energy: -174.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2033.209046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.209046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.209046 (E_RNA)
where:
Base-Base interactions energy: -1374.010
where: short stacking energy: -602.209
Base-Backbone interact. energy: -2.766
local terms energy: -656.433735
where:
bonds (distance) C4'-P energy: -113.852
bonds (distance) P-C4' energy: -136.324
flat angles C4'-P-C4' energy: -147.781
flat angles P-C4'-P energy: -81.747
tors. eta vs tors. theta energy: -176.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1722.043515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.043515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.043515 (E_RNA)
where:
Base-Base interactions energy: -1167.621
where: short stacking energy: -515.098
Base-Backbone interact. energy: -3.463
local terms energy: -550.959787
where:
bonds (distance) C4'-P energy: -105.377
bonds (distance) P-C4' energy: -120.900
flat angles C4'-P-C4' energy: -129.569
flat angles P-C4'-P energy: -84.479
tors. eta vs tors. theta energy: -110.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1280.576103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.576103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.576103 (E_RNA)
where:
Base-Base interactions energy: -777.812
where: short stacking energy: -387.179
Base-Backbone interact. energy: 1.400
local terms energy: -504.164567
where:
bonds (distance) C4'-P energy: -130.424
bonds (distance) P-C4' energy: -114.372
flat angles C4'-P-C4' energy: -117.606
flat angles P-C4'-P energy: -87.308
tors. eta vs tors. theta energy: -54.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1042.877858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.877858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.877858 (E_RNA)
where:
Base-Base interactions energy: -587.173
where: short stacking energy: -307.505
Base-Backbone interact. energy: 0.488
local terms energy: -456.192923
where:
bonds (distance) C4'-P energy: -112.240
bonds (distance) P-C4' energy: -136.323
flat angles C4'-P-C4' energy: -105.050
flat angles P-C4'-P energy: -71.966
tors. eta vs tors. theta energy: -30.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -826.602966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.602966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.602966 (E_RNA)
where:
Base-Base interactions energy: -438.019
where: short stacking energy: -243.065
Base-Backbone interact. energy: 0.584
local terms energy: -389.167933
where:
bonds (distance) C4'-P energy: -109.058
bonds (distance) P-C4' energy: -118.631
flat angles C4'-P-C4' energy: -92.941
flat angles P-C4'-P energy: -69.164
tors. eta vs tors. theta energy: 0.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2670.806383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.806383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.806383 (E_RNA)
where:
Base-Base interactions energy: -1845.161
where: short stacking energy: -770.163
Base-Backbone interact. energy: -3.311
local terms energy: -822.333818
where:
bonds (distance) C4'-P energy: -134.674
bonds (distance) P-C4' energy: -149.215
flat angles C4'-P-C4' energy: -179.035
flat angles P-C4'-P energy: -111.280
tors. eta vs tors. theta energy: -248.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2500.460838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.460838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.460838 (E_RNA)
where:
Base-Base interactions energy: -1714.592
where: short stacking energy: -747.632
Base-Backbone interact. energy: -1.504
local terms energy: -784.364796
where:
bonds (distance) C4'-P energy: -131.849
bonds (distance) P-C4' energy: -157.547
flat angles C4'-P-C4' energy: -168.343
flat angles P-C4'-P energy: -109.156
tors. eta vs tors. theta energy: -217.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2496.351161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.351161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.351161 (E_RNA)
where:
Base-Base interactions energy: -1713.029
where: short stacking energy: -750.724
Base-Backbone interact. energy: -4.589
local terms energy: -778.732772
where:
bonds (distance) C4'-P energy: -139.049
bonds (distance) P-C4' energy: -147.855
flat angles C4'-P-C4' energy: -151.834
flat angles P-C4'-P energy: -102.554
tors. eta vs tors. theta energy: -237.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2249.871086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.871086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.871086 (E_RNA)
where:
Base-Base interactions energy: -1547.840
where: short stacking energy: -637.604
Base-Backbone interact. energy: -1.573
local terms energy: -700.458601
where:
bonds (distance) C4'-P energy: -133.409
bonds (distance) P-C4' energy: -135.601
flat angles C4'-P-C4' energy: -148.557
flat angles P-C4'-P energy: -99.763
tors. eta vs tors. theta energy: -183.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2133.069971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.069971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.069971 (E_RNA)
where:
Base-Base interactions energy: -1446.053
where: short stacking energy: -643.595
Base-Backbone interact. energy: -0.951
local terms energy: -686.066451
where:
bonds (distance) C4'-P energy: -111.157
bonds (distance) P-C4' energy: -153.063
flat angles C4'-P-C4' energy: -151.540
flat angles P-C4'-P energy: -103.871
tors. eta vs tors. theta energy: -166.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2075.641623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.641623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.641623 (E_RNA)
where:
Base-Base interactions energy: -1440.292
where: short stacking energy: -619.754
Base-Backbone interact. energy: -1.857
local terms energy: -633.493301
where:
bonds (distance) C4'-P energy: -123.791
bonds (distance) P-C4' energy: -125.130
flat angles C4'-P-C4' energy: -149.880
flat angles P-C4'-P energy: -61.622
tors. eta vs tors. theta energy: -173.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1731.407721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.407721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.407721 (E_RNA)
where:
Base-Base interactions energy: -1158.572
where: short stacking energy: -503.875
Base-Backbone interact. energy: 2.377
local terms energy: -575.212759
where:
bonds (distance) C4'-P energy: -95.002
bonds (distance) P-C4' energy: -137.394
flat angles C4'-P-C4' energy: -143.489
flat angles P-C4'-P energy: -82.388
tors. eta vs tors. theta energy: -116.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1279.738534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.738534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.738534 (E_RNA)
where:
Base-Base interactions energy: -785.866
where: short stacking energy: -380.589
Base-Backbone interact. energy: -4.639
local terms energy: -489.233146
where:
bonds (distance) C4'-P energy: -116.397
bonds (distance) P-C4' energy: -117.256
flat angles C4'-P-C4' energy: -129.126
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -60.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1044.513071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.513071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.513071 (E_RNA)
where:
Base-Base interactions energy: -580.570
where: short stacking energy: -311.974
Base-Backbone interact. energy: 2.253
local terms energy: -466.196477
where:
bonds (distance) C4'-P energy: -110.076
bonds (distance) P-C4' energy: -109.811
flat angles C4'-P-C4' energy: -113.196
flat angles P-C4'-P energy: -91.794
tors. eta vs tors. theta energy: -41.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -783.875431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.875431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.875431 (E_RNA)
where:
Base-Base interactions energy: -382.798
where: short stacking energy: -202.846
Base-Backbone interact. energy: 2.679
local terms energy: -403.755837
where:
bonds (distance) C4'-P energy: -126.780
bonds (distance) P-C4' energy: -125.817
flat angles C4'-P-C4' energy: -96.192
flat angles P-C4'-P energy: -58.003
tors. eta vs tors. theta energy: 3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2677.945583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.945583 (E_RNA)
where:
Base-Base interactions energy: -1826.091
where: short stacking energy: -790.419
Base-Backbone interact. energy: -7.871
local terms energy: -843.983032
where:
bonds (distance) C4'-P energy: -154.092
bonds (distance) P-C4' energy: -147.366
flat angles C4'-P-C4' energy: -163.440
flat angles P-C4'-P energy: -125.497
tors. eta vs tors. theta energy: -253.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2526.875733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.875733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.875733 (E_RNA)
where:
Base-Base interactions energy: -1731.707
where: short stacking energy: -753.599
Base-Backbone interact. energy: -2.097
local terms energy: -793.071906
where:
bonds (distance) C4'-P energy: -147.256
bonds (distance) P-C4' energy: -146.457
flat angles C4'-P-C4' energy: -165.586
flat angles P-C4'-P energy: -111.632
tors. eta vs tors. theta energy: -222.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2502.558381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.558381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.558381 (E_RNA)
where:
Base-Base interactions energy: -1724.789
where: short stacking energy: -740.661
Base-Backbone interact. energy: -2.914
local terms energy: -774.855693
where:
bonds (distance) C4'-P energy: -136.558
bonds (distance) P-C4' energy: -145.038
flat angles C4'-P-C4' energy: -161.350
flat angles P-C4'-P energy: -107.167
tors. eta vs tors. theta energy: -224.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2294.339691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.339691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.339691 (E_RNA)
where:
Base-Base interactions energy: -1575.221
where: short stacking energy: -678.628
Base-Backbone interact. energy: -3.078
local terms energy: -716.040745
where:
bonds (distance) C4'-P energy: -135.311
bonds (distance) P-C4' energy: -140.466
flat angles C4'-P-C4' energy: -147.662
flat angles P-C4'-P energy: -93.195
tors. eta vs tors. theta energy: -199.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2125.926224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.926224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.926224 (E_RNA)
where:
Base-Base interactions energy: -1447.696
where: short stacking energy: -640.033
Base-Backbone interact. energy: -3.285
local terms energy: -674.945353
where:
bonds (distance) C4'-P energy: -115.859
bonds (distance) P-C4' energy: -151.287
flat angles C4'-P-C4' energy: -144.371
flat angles P-C4'-P energy: -92.375
tors. eta vs tors. theta energy: -171.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2012.558211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.558211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.558211 (E_RNA)
where:
Base-Base interactions energy: -1364.315
where: short stacking energy: -598.034
Base-Backbone interact. energy: -3.357
local terms energy: -644.886198
where:
bonds (distance) C4'-P energy: -133.352
bonds (distance) P-C4' energy: -116.082
flat angles C4'-P-C4' energy: -146.845
flat angles P-C4'-P energy: -79.616
tors. eta vs tors. theta energy: -168.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1808.598972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.598972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.598972 (E_RNA)
where:
Base-Base interactions energy: -1204.180
where: short stacking energy: -540.551
Base-Backbone interact. energy: -1.924
local terms energy: -602.494813
where:
bonds (distance) C4'-P energy: -117.758
bonds (distance) P-C4' energy: -117.247
flat angles C4'-P-C4' energy: -132.900
flat angles P-C4'-P energy: -91.121
tors. eta vs tors. theta energy: -143.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1304.566595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.566595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.566595 (E_RNA)
where:
Base-Base interactions energy: -772.310
where: short stacking energy: -370.717
Base-Backbone interact. energy: -2.810
local terms energy: -529.446430
where:
bonds (distance) C4'-P energy: -125.603
bonds (distance) P-C4' energy: -118.295
flat angles C4'-P-C4' energy: -127.799
flat angles P-C4'-P energy: -80.861
tors. eta vs tors. theta energy: -76.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1056.349959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.349959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.349959 (E_RNA)
where:
Base-Base interactions energy: -606.415
where: short stacking energy: -309.448
Base-Backbone interact. energy: 3.058
local terms energy: -452.993085
where:
bonds (distance) C4'-P energy: -114.927
bonds (distance) P-C4' energy: -109.800
flat angles C4'-P-C4' energy: -119.588
flat angles P-C4'-P energy: -65.730
tors. eta vs tors. theta energy: -42.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -759.096748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.096748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.096748 (E_RNA)
where:
Base-Base interactions energy: -390.231
where: short stacking energy: -257.344
Base-Backbone interact. energy: 3.374
local terms energy: -372.239832
where:
bonds (distance) C4'-P energy: -96.961
bonds (distance) P-C4' energy: -140.077
flat angles C4'-P-C4' energy: -72.256
flat angles P-C4'-P energy: -49.877
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2668.410195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.410195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.410195 (E_RNA)
where:
Base-Base interactions energy: -1854.864
where: short stacking energy: -799.103
Base-Backbone interact. energy: -5.978
local terms energy: -807.568522
where:
bonds (distance) C4'-P energy: -139.522
bonds (distance) P-C4' energy: -144.515
flat angles C4'-P-C4' energy: -167.415
flat angles P-C4'-P energy: -115.624
tors. eta vs tors. theta energy: -240.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2542.454327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.454327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.454327 (E_RNA)
where:
Base-Base interactions energy: -1782.567
where: short stacking energy: -764.636
Base-Backbone interact. energy: -1.871
local terms energy: -758.016273
where:
bonds (distance) C4'-P energy: -135.001
bonds (distance) P-C4' energy: -134.321
flat angles C4'-P-C4' energy: -165.520
flat angles P-C4'-P energy: -106.699
tors. eta vs tors. theta energy: -216.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2495.495556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.495556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.495556 (E_RNA)
where:
Base-Base interactions energy: -1740.155
where: short stacking energy: -755.216
Base-Backbone interact. energy: -2.677
local terms energy: -752.663865
where:
bonds (distance) C4'-P energy: -130.187
bonds (distance) P-C4' energy: -129.164
flat angles C4'-P-C4' energy: -161.193
flat angles P-C4'-P energy: -106.768
tors. eta vs tors. theta energy: -225.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2281.521878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.521878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.521878 (E_RNA)
where:
Base-Base interactions energy: -1547.073
where: short stacking energy: -657.408
Base-Backbone interact. energy: -2.886
local terms energy: -731.562608
where:
bonds (distance) C4'-P energy: -144.024
bonds (distance) P-C4' energy: -130.182
flat angles C4'-P-C4' energy: -158.736
flat angles P-C4'-P energy: -106.691
tors. eta vs tors. theta energy: -191.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2095.959046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.959046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.959046 (E_RNA)
where:
Base-Base interactions energy: -1410.412
where: short stacking energy: -632.702
Base-Backbone interact. energy: 0.567
local terms energy: -686.114671
where:
bonds (distance) C4'-P energy: -129.433
bonds (distance) P-C4' energy: -129.229
flat angles C4'-P-C4' energy: -147.440
flat angles P-C4'-P energy: -92.692
tors. eta vs tors. theta energy: -187.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2043.454831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.454831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.454831 (E_RNA)
where:
Base-Base interactions energy: -1394.447
where: short stacking energy: -630.419
Base-Backbone interact. energy: 1.336
local terms energy: -650.343192
where:
bonds (distance) C4'-P energy: -125.914
bonds (distance) P-C4' energy: -112.909
flat angles C4'-P-C4' energy: -148.592
flat angles P-C4'-P energy: -92.902
tors. eta vs tors. theta energy: -170.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1843.887127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.887127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.887127 (E_RNA)
where:
Base-Base interactions energy: -1227.833
where: short stacking energy: -541.026
Base-Backbone interact. energy: -3.384
local terms energy: -612.670715
where:
bonds (distance) C4'-P energy: -124.200
bonds (distance) P-C4' energy: -121.866
flat angles C4'-P-C4' energy: -135.664
flat angles P-C4'-P energy: -78.232
tors. eta vs tors. theta energy: -152.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1272.373677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.373677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.373677 (E_RNA)
where:
Base-Base interactions energy: -780.425
where: short stacking energy: -388.274
Base-Backbone interact. energy: -2.888
local terms energy: -489.059957
where:
bonds (distance) C4'-P energy: -108.077
bonds (distance) P-C4' energy: -126.153
flat angles C4'-P-C4' energy: -121.579
flat angles P-C4'-P energy: -61.477
tors. eta vs tors. theta energy: -71.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1052.608713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.608713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.608713 (E_RNA)
where:
Base-Base interactions energy: -597.582
where: short stacking energy: -311.070
Base-Backbone interact. energy: 2.429
local terms energy: -457.455163
where:
bonds (distance) C4'-P energy: -104.020
bonds (distance) P-C4' energy: -138.296
flat angles C4'-P-C4' energy: -111.620
flat angles P-C4'-P energy: -76.552
tors. eta vs tors. theta energy: -26.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -828.989975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.989975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.989975 (E_RNA)
where:
Base-Base interactions energy: -418.384
where: short stacking energy: -259.914
Base-Backbone interact. energy: 0.597
local terms energy: -411.202901
where:
bonds (distance) C4'-P energy: -100.509
bonds (distance) P-C4' energy: -117.845
flat angles C4'-P-C4' energy: -113.294
flat angles P-C4'-P energy: -70.142
tors. eta vs tors. theta energy: -9.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2647.351618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.351618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.351618 (E_RNA)
where:
Base-Base interactions energy: -1811.278
where: short stacking energy: -767.982
Base-Backbone interact. energy: -3.681
local terms energy: -832.393407
where:
bonds (distance) C4'-P energy: -144.035
bonds (distance) P-C4' energy: -160.764
flat angles C4'-P-C4' energy: -176.690
flat angles P-C4'-P energy: -115.087
tors. eta vs tors. theta energy: -235.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2539.043913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.043913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.043913 (E_RNA)
where:
Base-Base interactions energy: -1751.822
where: short stacking energy: -738.299
Base-Backbone interact. energy: -1.490
local terms energy: -785.731859
where:
bonds (distance) C4'-P energy: -155.308
bonds (distance) P-C4' energy: -145.605
flat angles C4'-P-C4' energy: -163.096
flat angles P-C4'-P energy: -112.069
tors. eta vs tors. theta energy: -209.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -2452.269909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.269909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.269909 (E_RNA)
where:
Base-Base interactions energy: -1696.405
where: short stacking energy: -738.178
Base-Backbone interact. energy: -4.003
local terms energy: -751.862393
where:
bonds (distance) C4'-P energy: -135.979
bonds (distance) P-C4' energy: -148.639
flat angles C4'-P-C4' energy: -149.219
flat angles P-C4'-P energy: -107.764
tors. eta vs tors. theta energy: -210.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2299.583044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.583044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.583044 (E_RNA)
where:
Base-Base interactions energy: -1582.476
where: short stacking energy: -689.931
Base-Backbone interact. energy: 1.996
local terms energy: -719.103018
where:
bonds (distance) C4'-P energy: -133.265
bonds (distance) P-C4' energy: -152.449
flat angles C4'-P-C4' energy: -153.833
flat angles P-C4'-P energy: -83.878
tors. eta vs tors. theta energy: -195.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2139.983321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.983321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.983321 (E_RNA)
where:
Base-Base interactions energy: -1477.617
where: short stacking energy: -644.864
Base-Backbone interact. energy: -2.801
local terms energy: -659.565207
where:
bonds (distance) C4'-P energy: -138.127
bonds (distance) P-C4' energy: -109.007
flat angles C4'-P-C4' energy: -144.690
flat angles P-C4'-P energy: -97.161
tors. eta vs tors. theta energy: -170.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2000.917903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.917903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.917903 (E_RNA)
where:
Base-Base interactions energy: -1355.380
where: short stacking energy: -587.138
Base-Backbone interact. energy: -2.994
local terms energy: -642.543713
where:
bonds (distance) C4'-P energy: -125.837
bonds (distance) P-C4' energy: -142.047
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -79.498
tors. eta vs tors. theta energy: -165.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1830.179467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.179467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.179467 (E_RNA)
where:
Base-Base interactions energy: -1213.773
where: short stacking energy: -500.809
Base-Backbone interact. energy: -4.394
local terms energy: -612.012452
where:
bonds (distance) C4'-P energy: -128.763
bonds (distance) P-C4' energy: -129.552
flat angles C4'-P-C4' energy: -133.554
flat angles P-C4'-P energy: -80.180
tors. eta vs tors. theta energy: -139.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1174.717196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.717196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.717196 (E_RNA)
where:
Base-Base interactions energy: -714.923
where: short stacking energy: -366.456
Base-Backbone interact. energy: 1.615
local terms energy: -461.408885
where:
bonds (distance) C4'-P energy: -110.085
bonds (distance) P-C4' energy: -116.622
flat angles C4'-P-C4' energy: -104.791
flat angles P-C4'-P energy: -75.510
tors. eta vs tors. theta energy: -54.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1029.265910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.265910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.265910 (E_RNA)
where:
Base-Base interactions energy: -618.825
where: short stacking energy: -314.908
Base-Backbone interact. energy: -0.803
local terms energy: -409.637289
where:
bonds (distance) C4'-P energy: -99.984
bonds (distance) P-C4' energy: -101.595
flat angles C4'-P-C4' energy: -114.751
flat angles P-C4'-P energy: -54.882
tors. eta vs tors. theta energy: -38.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -843.030337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.030337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.030337 (E_RNA)
where:
Base-Base interactions energy: -451.564
where: short stacking energy: -257.070
Base-Backbone interact. energy: -0.970
local terms energy: -390.495724
where:
bonds (distance) C4'-P energy: -104.677
bonds (distance) P-C4' energy: -125.506
flat angles C4'-P-C4' energy: -108.068
flat angles P-C4'-P energy: -50.750
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2636.936042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.936042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.936042 (E_RNA)
where:
Base-Base interactions energy: -1819.402
where: short stacking energy: -798.317
Base-Backbone interact. energy: -0.633
local terms energy: -816.900500
where:
bonds (distance) C4'-P energy: -147.103
bonds (distance) P-C4' energy: -153.410
flat angles C4'-P-C4' energy: -167.423
flat angles P-C4'-P energy: -105.517
tors. eta vs tors. theta energy: -243.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2542.942710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.942710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.942710 (E_RNA)
where:
Base-Base interactions energy: -1747.636
where: short stacking energy: -775.345
Base-Backbone interact. energy: 0.001
local terms energy: -795.308200
where:
bonds (distance) C4'-P energy: -135.556
bonds (distance) P-C4' energy: -149.121
flat angles C4'-P-C4' energy: -169.437
flat angles P-C4'-P energy: -113.971
tors. eta vs tors. theta energy: -227.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2448.886252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.886252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.886252 (E_RNA)
where:
Base-Base interactions energy: -1692.714
where: short stacking energy: -703.196
Base-Backbone interact. energy: -1.629
local terms energy: -754.543348
where:
bonds (distance) C4'-P energy: -151.646
bonds (distance) P-C4' energy: -128.936
flat angles C4'-P-C4' energy: -157.230
flat angles P-C4'-P energy: -110.784
tors. eta vs tors. theta energy: -205.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2284.008001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.008001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.008001 (E_RNA)
where:
Base-Base interactions energy: -1550.819
where: short stacking energy: -674.230
Base-Backbone interact. energy: 2.182
local terms energy: -735.370924
where:
bonds (distance) C4'-P energy: -142.046
bonds (distance) P-C4' energy: -148.235
flat angles C4'-P-C4' energy: -152.814
flat angles P-C4'-P energy: -110.217
tors. eta vs tors. theta energy: -182.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2098.694017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.694017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.694017 (E_RNA)
where:
Base-Base interactions energy: -1427.238
where: short stacking energy: -630.853
Base-Backbone interact. energy: -1.611
local terms energy: -669.844672
where:
bonds (distance) C4'-P energy: -123.203
bonds (distance) P-C4' energy: -124.610
flat angles C4'-P-C4' energy: -158.849
flat angles P-C4'-P energy: -93.169
tors. eta vs tors. theta energy: -170.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1988.223569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.223569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.223569 (E_RNA)
where:
Base-Base interactions energy: -1358.105
where: short stacking energy: -560.517
Base-Backbone interact. energy: -4.861
local terms energy: -625.256836
where:
bonds (distance) C4'-P energy: -134.069
bonds (distance) P-C4' energy: -125.787
flat angles C4'-P-C4' energy: -118.195
flat angles P-C4'-P energy: -94.237
tors. eta vs tors. theta energy: -152.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1763.068471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.068471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.068471 (E_RNA)
where:
Base-Base interactions energy: -1171.211
where: short stacking energy: -506.372
Base-Backbone interact. energy: 3.342
local terms energy: -595.199448
where:
bonds (distance) C4'-P energy: -124.664
bonds (distance) P-C4' energy: -118.952
flat angles C4'-P-C4' energy: -130.371
flat angles P-C4'-P energy: -85.575
tors. eta vs tors. theta energy: -135.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1272.297973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.297973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.297973 (E_RNA)
where:
Base-Base interactions energy: -760.771
where: short stacking energy: -348.269
Base-Backbone interact. energy: 0.490
local terms energy: -512.017330
where:
bonds (distance) C4'-P energy: -114.941
bonds (distance) P-C4' energy: -118.312
flat angles C4'-P-C4' energy: -149.028
flat angles P-C4'-P energy: -81.097
tors. eta vs tors. theta energy: -48.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1048.125003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.125003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.125003 (E_RNA)
where:
Base-Base interactions energy: -608.131
where: short stacking energy: -308.992
Base-Backbone interact. energy: -0.975
local terms energy: -439.019216
where:
bonds (distance) C4'-P energy: -107.305
bonds (distance) P-C4' energy: -144.826
flat angles C4'-P-C4' energy: -97.353
flat angles P-C4'-P energy: -62.736
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -874.234034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.234034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.234034 (E_RNA)
where:
Base-Base interactions energy: -488.815
where: short stacking energy: -268.235
Base-Backbone interact. energy: -0.980
local terms energy: -384.439358
where:
bonds (distance) C4'-P energy: -103.682
bonds (distance) P-C4' energy: -112.272
flat angles C4'-P-C4' energy: -92.334
flat angles P-C4'-P energy: -65.643
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2627.046946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.046946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.046946 (E_RNA)
where:
Base-Base interactions energy: -1818.593
where: short stacking energy: -794.368
Base-Backbone interact. energy: 2.512
local terms energy: -810.965332
where:
bonds (distance) C4'-P energy: -144.141
bonds (distance) P-C4' energy: -151.941
flat angles C4'-P-C4' energy: -161.404
flat angles P-C4'-P energy: -105.439
tors. eta vs tors. theta energy: -248.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2521.833917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.833917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.833917 (E_RNA)
where:
Base-Base interactions energy: -1725.493
where: short stacking energy: -784.189
Base-Backbone interact. energy: -2.694
local terms energy: -793.647345
where:
bonds (distance) C4'-P energy: -150.188
bonds (distance) P-C4' energy: -146.663
flat angles C4'-P-C4' energy: -160.549
flat angles P-C4'-P energy: -112.376
tors. eta vs tors. theta energy: -223.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2443.064203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.064203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.064203 (E_RNA)
where:
Base-Base interactions energy: -1702.892
where: short stacking energy: -725.379
Base-Backbone interact. energy: 0.437
local terms energy: -740.609722
where:
bonds (distance) C4'-P energy: -153.108
bonds (distance) P-C4' energy: -136.687
flat angles C4'-P-C4' energy: -150.474
flat angles P-C4'-P energy: -109.225
tors. eta vs tors. theta energy: -191.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2256.004491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.004491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.004491 (E_RNA)
where:
Base-Base interactions energy: -1549.896
where: short stacking energy: -659.196
Base-Backbone interact. energy: -2.818
local terms energy: -703.290169
where:
bonds (distance) C4'-P energy: -126.344
bonds (distance) P-C4' energy: -133.070
flat angles C4'-P-C4' energy: -168.086
flat angles P-C4'-P energy: -96.551
tors. eta vs tors. theta energy: -179.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2077.900925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.900925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.900925 (E_RNA)
where:
Base-Base interactions energy: -1423.045
where: short stacking energy: -606.294
Base-Backbone interact. energy: -1.529
local terms energy: -653.326636
where:
bonds (distance) C4'-P energy: -132.558
bonds (distance) P-C4' energy: -126.308
flat angles C4'-P-C4' energy: -143.654
flat angles P-C4'-P energy: -84.911
tors. eta vs tors. theta energy: -165.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2059.838656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.838656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.838656 (E_RNA)
where:
Base-Base interactions energy: -1391.981
where: short stacking energy: -615.403
Base-Backbone interact. energy: 1.047
local terms energy: -668.905117
where:
bonds (distance) C4'-P energy: -130.038
bonds (distance) P-C4' energy: -117.331
flat angles C4'-P-C4' energy: -153.868
flat angles P-C4'-P energy: -100.118
tors. eta vs tors. theta energy: -167.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1791.806726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.806726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.806726 (E_RNA)
where:
Base-Base interactions energy: -1197.361
where: short stacking energy: -532.961
Base-Backbone interact. energy: -2.261
local terms energy: -592.184733
where:
bonds (distance) C4'-P energy: -130.516
bonds (distance) P-C4' energy: -109.570
flat angles C4'-P-C4' energy: -135.523
flat angles P-C4'-P energy: -83.805
tors. eta vs tors. theta energy: -132.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1295.730255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.730255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.730255 (E_RNA)
where:
Base-Base interactions energy: -822.156
where: short stacking energy: -363.249
Base-Backbone interact. energy: 2.165
local terms energy: -475.739493
where:
bonds (distance) C4'-P energy: -124.245
bonds (distance) P-C4' energy: -115.093
flat angles C4'-P-C4' energy: -112.863
flat angles P-C4'-P energy: -56.277
tors. eta vs tors. theta energy: -67.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1061.226123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.226123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.226123 (E_RNA)
where:
Base-Base interactions energy: -619.868
where: short stacking energy: -320.556
Base-Backbone interact. energy: 0.861
local terms energy: -442.219086
where:
bonds (distance) C4'-P energy: -100.353
bonds (distance) P-C4' energy: -125.058
flat angles C4'-P-C4' energy: -100.493
flat angles P-C4'-P energy: -71.823
tors. eta vs tors. theta energy: -44.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -893.897733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.897733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.897733 (E_RNA)
where:
Base-Base interactions energy: -492.442
where: short stacking energy: -271.180
Base-Backbone interact. energy: -0.829
local terms energy: -400.626162
where:
bonds (distance) C4'-P energy: -107.158
bonds (distance) P-C4' energy: -135.110
flat angles C4'-P-C4' energy: -92.642
flat angles P-C4'-P energy: -45.523
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2613.069328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.069328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.069328 (E_RNA)
where:
Base-Base interactions energy: -1792.431
where: short stacking energy: -762.035
Base-Backbone interact. energy: -3.226
local terms energy: -817.412398
where:
bonds (distance) C4'-P energy: -132.824
bonds (distance) P-C4' energy: -156.508
flat angles C4'-P-C4' energy: -173.341
flat angles P-C4'-P energy: -114.576
tors. eta vs tors. theta energy: -240.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2564.493594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.493594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.493594 (E_RNA)
where:
Base-Base interactions energy: -1765.533
where: short stacking energy: -772.042
Base-Backbone interact. energy: -1.961
local terms energy: -796.999174
where:
bonds (distance) C4'-P energy: -143.461
bonds (distance) P-C4' energy: -140.583
flat angles C4'-P-C4' energy: -171.632
flat angles P-C4'-P energy: -104.033
tors. eta vs tors. theta energy: -237.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2495.619495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.619495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.619495 (E_RNA)
where:
Base-Base interactions energy: -1736.909
where: short stacking energy: -745.826
Base-Backbone interact. energy: -3.577
local terms energy: -755.133141
where:
bonds (distance) C4'-P energy: -130.677
bonds (distance) P-C4' energy: -139.200
flat angles C4'-P-C4' energy: -169.344
flat angles P-C4'-P energy: -109.289
tors. eta vs tors. theta energy: -206.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2286.497299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.497299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.497299 (E_RNA)
where:
Base-Base interactions energy: -1567.571
where: short stacking energy: -654.172
Base-Backbone interact. energy: -1.332
local terms energy: -717.594071
where:
bonds (distance) C4'-P energy: -125.142
bonds (distance) P-C4' energy: -132.659
flat angles C4'-P-C4' energy: -170.176
flat angles P-C4'-P energy: -108.935
tors. eta vs tors. theta energy: -180.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2084.692408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.692408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.692408 (E_RNA)
where:
Base-Base interactions energy: -1379.977
where: short stacking energy: -594.166
Base-Backbone interact. energy: -1.525
local terms energy: -703.189825
where:
bonds (distance) C4'-P energy: -124.831
bonds (distance) P-C4' energy: -142.774
flat angles C4'-P-C4' energy: -153.267
flat angles P-C4'-P energy: -116.371
tors. eta vs tors. theta energy: -165.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2081.839594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.839594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.839594 (E_RNA)
where:
Base-Base interactions energy: -1424.710
where: short stacking energy: -617.251
Base-Backbone interact. energy: -5.936
local terms energy: -651.193620
where:
bonds (distance) C4'-P energy: -112.621
bonds (distance) P-C4' energy: -135.945
flat angles C4'-P-C4' energy: -141.121
flat angles P-C4'-P energy: -97.371
tors. eta vs tors. theta energy: -164.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1811.544846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.544846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.544846 (E_RNA)
where:
Base-Base interactions energy: -1235.654
where: short stacking energy: -560.483
Base-Backbone interact. energy: -1.331
local terms energy: -574.560404
where:
bonds (distance) C4'-P energy: -118.193
bonds (distance) P-C4' energy: -127.844
flat angles C4'-P-C4' energy: -127.466
flat angles P-C4'-P energy: -75.988
tors. eta vs tors. theta energy: -125.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1235.527491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.527491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.527491 (E_RNA)
where:
Base-Base interactions energy: -752.537
where: short stacking energy: -375.170
Base-Backbone interact. energy: 3.395
local terms energy: -486.385164
where:
bonds (distance) C4'-P energy: -124.246
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -126.100
flat angles P-C4'-P energy: -57.854
tors. eta vs tors. theta energy: -64.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1085.589006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.589006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.589006 (E_RNA)
where:
Base-Base interactions energy: -655.234
where: short stacking energy: -316.622
Base-Backbone interact. energy: -1.487
local terms energy: -428.868384
where:
bonds (distance) C4'-P energy: -119.107
bonds (distance) P-C4' energy: -113.666
flat angles C4'-P-C4' energy: -117.349
flat angles P-C4'-P energy: -51.896
tors. eta vs tors. theta energy: -26.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -905.493834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.493834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.493834 (E_RNA)
where:
Base-Base interactions energy: -492.437
where: short stacking energy: -252.212
Base-Backbone interact. energy: -5.033
local terms energy: -408.023381
where:
bonds (distance) C4'-P energy: -101.482
bonds (distance) P-C4' energy: -114.757
flat angles C4'-P-C4' energy: -105.342
flat angles P-C4'-P energy: -80.136
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2673.029455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.029455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.029455 (E_RNA)
where:
Base-Base interactions energy: -1849.162
where: short stacking energy: -789.062
Base-Backbone interact. energy: -2.744
local terms energy: -821.122728
where:
bonds (distance) C4'-P energy: -148.863
bonds (distance) P-C4' energy: -149.258
flat angles C4'-P-C4' energy: -162.706
flat angles P-C4'-P energy: -121.943
tors. eta vs tors. theta energy: -238.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2562.762293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.762293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.762293 (E_RNA)
where:
Base-Base interactions energy: -1781.984
where: short stacking energy: -771.639
Base-Backbone interact. energy: -3.317
local terms energy: -777.460897
where:
bonds (distance) C4'-P energy: -125.239
bonds (distance) P-C4' energy: -144.542
flat angles C4'-P-C4' energy: -178.384
flat angles P-C4'-P energy: -95.969
tors. eta vs tors. theta energy: -233.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2474.191343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.191343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.191343 (E_RNA)
where:
Base-Base interactions energy: -1730.780
where: short stacking energy: -720.793
Base-Backbone interact. energy: -4.743
local terms energy: -738.668406
where:
bonds (distance) C4'-P energy: -140.997
bonds (distance) P-C4' energy: -133.976
flat angles C4'-P-C4' energy: -159.336
flat angles P-C4'-P energy: -96.012
tors. eta vs tors. theta energy: -208.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2324.367615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2324.367615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2324.367615 (E_RNA)
where:
Base-Base interactions energy: -1612.906
where: short stacking energy: -664.496
Base-Backbone interact. energy: -1.132
local terms energy: -710.328915
where:
bonds (distance) C4'-P energy: -136.331
bonds (distance) P-C4' energy: -134.464
flat angles C4'-P-C4' energy: -156.943
flat angles P-C4'-P energy: -96.173
tors. eta vs tors. theta energy: -186.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2080.629244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.629244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.629244 (E_RNA)
where:
Base-Base interactions energy: -1409.039
where: short stacking energy: -620.686
Base-Backbone interact. energy: 2.379
local terms energy: -673.969313
where:
bonds (distance) C4'-P energy: -118.158
bonds (distance) P-C4' energy: -126.278
flat angles C4'-P-C4' energy: -152.418
flat angles P-C4'-P energy: -91.235
tors. eta vs tors. theta energy: -185.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -2117.829372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.829372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.829372 (E_RNA)
where:
Base-Base interactions energy: -1448.527
where: short stacking energy: -620.397
Base-Backbone interact. energy: 4.795
local terms energy: -674.097652
where:
bonds (distance) C4'-P energy: -135.485
bonds (distance) P-C4' energy: -117.167
flat angles C4'-P-C4' energy: -153.125
flat angles P-C4'-P energy: -85.355
tors. eta vs tors. theta energy: -182.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1774.072857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.072857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.072857 (E_RNA)
where:
Base-Base interactions energy: -1148.228
where: short stacking energy: -510.863
Base-Backbone interact. energy: -0.534
local terms energy: -625.311473
where:
bonds (distance) C4'-P energy: -136.074
bonds (distance) P-C4' energy: -136.802
flat angles C4'-P-C4' energy: -129.985
flat angles P-C4'-P energy: -89.663
tors. eta vs tors. theta energy: -132.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1264.972487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.972487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.972487 (E_RNA)
where:
Base-Base interactions energy: -752.449
where: short stacking energy: -368.505
Base-Backbone interact. energy: 0.712
local terms energy: -513.234785
where:
bonds (distance) C4'-P energy: -139.898
bonds (distance) P-C4' energy: -125.640
flat angles C4'-P-C4' energy: -121.227
flat angles P-C4'-P energy: -66.714
tors. eta vs tors. theta energy: -59.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1060.063021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.063021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.063021 (E_RNA)
where:
Base-Base interactions energy: -609.464
where: short stacking energy: -294.797
Base-Backbone interact. energy: 1.024
local terms energy: -451.622524
where:
bonds (distance) C4'-P energy: -107.718
bonds (distance) P-C4' energy: -120.574
flat angles C4'-P-C4' energy: -116.440
flat angles P-C4'-P energy: -72.119
tors. eta vs tors. theta energy: -34.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -840.372781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.372781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.372781 (E_RNA)
where:
Base-Base interactions energy: -463.960
where: short stacking energy: -261.992
Base-Backbone interact. energy: 6.005
local terms energy: -382.417547
where:
bonds (distance) C4'-P energy: -124.127
bonds (distance) P-C4' energy: -95.922
flat angles C4'-P-C4' energy: -104.761
flat angles P-C4'-P energy: -50.973
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2638.155657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.155657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.155657 (E_RNA)
where:
Base-Base interactions energy: -1797.819
where: short stacking energy: -765.851
Base-Backbone interact. energy: -1.061
local terms energy: -839.275114
where:
bonds (distance) C4'-P energy: -143.892
bonds (distance) P-C4' energy: -157.385
flat angles C4'-P-C4' energy: -173.185
flat angles P-C4'-P energy: -121.841
tors. eta vs tors. theta energy: -242.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2563.927932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.927932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.927932 (E_RNA)
where:
Base-Base interactions energy: -1775.740
where: short stacking energy: -776.611
Base-Backbone interact. energy: -3.097
local terms energy: -785.090605
where:
bonds (distance) C4'-P energy: -127.158
bonds (distance) P-C4' energy: -138.048
flat angles C4'-P-C4' energy: -168.367
flat angles P-C4'-P energy: -114.262
tors. eta vs tors. theta energy: -237.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2489.604615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.604615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.604615 (E_RNA)
where:
Base-Base interactions energy: -1709.526
where: short stacking energy: -740.589
Base-Backbone interact. energy: 3.762
local terms energy: -783.841264
where:
bonds (distance) C4'-P energy: -129.931
bonds (distance) P-C4' energy: -143.699
flat angles C4'-P-C4' energy: -179.755
flat angles P-C4'-P energy: -120.683
tors. eta vs tors. theta energy: -209.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2301.766991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.766991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.766991 (E_RNA)
where:
Base-Base interactions energy: -1594.532
where: short stacking energy: -667.474
Base-Backbone interact. energy: -2.008
local terms energy: -705.226921
where:
bonds (distance) C4'-P energy: -135.216
bonds (distance) P-C4' energy: -125.301
flat angles C4'-P-C4' energy: -153.772
flat angles P-C4'-P energy: -104.125
tors. eta vs tors. theta energy: -186.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2110.866088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.866088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.866088 (E_RNA)
where:
Base-Base interactions energy: -1435.677
where: short stacking energy: -610.208
Base-Backbone interact. energy: -4.073
local terms energy: -671.115805
where:
bonds (distance) C4'-P energy: -142.132
bonds (distance) P-C4' energy: -116.511
flat angles C4'-P-C4' energy: -148.552
flat angles P-C4'-P energy: -90.094
tors. eta vs tors. theta energy: -173.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2116.462749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.462749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.462749 (E_RNA)
where:
Base-Base interactions energy: -1461.454
where: short stacking energy: -608.717
Base-Backbone interact. energy: 3.924
local terms energy: -658.932165
where:
bonds (distance) C4'-P energy: -133.597
bonds (distance) P-C4' energy: -127.230
flat angles C4'-P-C4' energy: -146.947
flat angles P-C4'-P energy: -81.129
tors. eta vs tors. theta energy: -170.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1739.667974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.667974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.667974 (E_RNA)
where:
Base-Base interactions energy: -1182.126
where: short stacking energy: -520.646
Base-Backbone interact. energy: 3.041
local terms energy: -560.583541
where:
bonds (distance) C4'-P energy: -76.578
bonds (distance) P-C4' energy: -123.064
flat angles C4'-P-C4' energy: -140.612
flat angles P-C4'-P energy: -86.627
tors. eta vs tors. theta energy: -133.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1260.508192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.508192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.508192 (E_RNA)
where:
Base-Base interactions energy: -786.653
where: short stacking energy: -407.629
Base-Backbone interact. energy: -2.471
local terms energy: -471.384549
where:
bonds (distance) C4'-P energy: -119.138
bonds (distance) P-C4' energy: -110.288
flat angles C4'-P-C4' energy: -114.989
flat angles P-C4'-P energy: -62.231
tors. eta vs tors. theta energy: -64.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1028.977532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.977532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.977532 (E_RNA)
where:
Base-Base interactions energy: -593.695
where: short stacking energy: -311.125
Base-Backbone interact. energy: 2.859
local terms energy: -438.140748
where:
bonds (distance) C4'-P energy: -101.867
bonds (distance) P-C4' energy: -124.894
flat angles C4'-P-C4' energy: -121.859
flat angles P-C4'-P energy: -59.503
tors. eta vs tors. theta energy: -30.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -813.622885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.622885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.622885 (E_RNA)
where:
Base-Base interactions energy: -390.189
where: short stacking energy: -219.278
Base-Backbone interact. energy: 0.952
local terms energy: -424.386146
where:
bonds (distance) C4'-P energy: -117.373
bonds (distance) P-C4' energy: -122.793
flat angles C4'-P-C4' energy: -104.328
flat angles P-C4'-P energy: -79.514
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2673.030260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.030260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.030260 (E_RNA)
where:
Base-Base interactions energy: -1871.388
where: short stacking energy: -780.555
Base-Backbone interact. energy: -1.025
local terms energy: -800.617606
where:
bonds (distance) C4'-P energy: -136.579
bonds (distance) P-C4' energy: -137.821
flat angles C4'-P-C4' energy: -166.286
flat angles P-C4'-P energy: -113.860
tors. eta vs tors. theta energy: -246.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2550.672901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.672901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.672901 (E_RNA)
where:
Base-Base interactions energy: -1748.551
where: short stacking energy: -761.380
Base-Backbone interact. energy: -2.790
local terms energy: -799.331624
where:
bonds (distance) C4'-P energy: -151.770
bonds (distance) P-C4' energy: -146.621
flat angles C4'-P-C4' energy: -166.595
flat angles P-C4'-P energy: -106.433
tors. eta vs tors. theta energy: -227.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2454.088713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.088713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.088713 (E_RNA)
where:
Base-Base interactions energy: -1722.709
where: short stacking energy: -717.757
Base-Backbone interact. energy: -1.469
local terms energy: -729.910268
where:
bonds (distance) C4'-P energy: -139.300
bonds (distance) P-C4' energy: -128.527
flat angles C4'-P-C4' energy: -162.335
flat angles P-C4'-P energy: -105.104
tors. eta vs tors. theta energy: -194.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2290.299565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.299565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.299565 (E_RNA)
where:
Base-Base interactions energy: -1548.757
where: short stacking energy: -650.103
Base-Backbone interact. energy: -1.437
local terms energy: -740.105457
where:
bonds (distance) C4'-P energy: -155.691
bonds (distance) P-C4' energy: -137.980
flat angles C4'-P-C4' energy: -154.042
flat angles P-C4'-P energy: -100.578
tors. eta vs tors. theta energy: -191.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2264.411942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.411942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.411942 (E_RNA)
where:
Base-Base interactions energy: -1554.990
where: short stacking energy: -681.702
Base-Backbone interact. energy: -0.947
local terms energy: -708.474909
where:
bonds (distance) C4'-P energy: -131.066
bonds (distance) P-C4' energy: -130.344
flat angles C4'-P-C4' energy: -158.515
flat angles P-C4'-P energy: -92.613
tors. eta vs tors. theta energy: -195.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2070.537188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.537188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.537188 (E_RNA)
where:
Base-Base interactions energy: -1419.433
where: short stacking energy: -602.716
Base-Backbone interact. energy: -2.371
local terms energy: -648.732760
where:
bonds (distance) C4'-P energy: -124.026
bonds (distance) P-C4' energy: -121.563
flat angles C4'-P-C4' energy: -149.048
flat angles P-C4'-P energy: -93.206
tors. eta vs tors. theta energy: -160.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1773.533394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.533394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.533394 (E_RNA)
where:
Base-Base interactions energy: -1203.740
where: short stacking energy: -553.406
Base-Backbone interact. energy: -2.485
local terms energy: -567.308497
where:
bonds (distance) C4'-P energy: -115.394
bonds (distance) P-C4' energy: -120.782
flat angles C4'-P-C4' energy: -135.756
flat angles P-C4'-P energy: -71.273
tors. eta vs tors. theta energy: -124.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1221.180932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.180932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.180932 (E_RNA)
where:
Base-Base interactions energy: -739.066
where: short stacking energy: -347.936
Base-Backbone interact. energy: 6.955
local terms energy: -489.070203
where:
bonds (distance) C4'-P energy: -121.446
bonds (distance) P-C4' energy: -115.012
flat angles C4'-P-C4' energy: -117.163
flat angles P-C4'-P energy: -82.830
tors. eta vs tors. theta energy: -52.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1041.732722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.732722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.732722 (E_RNA)
where:
Base-Base interactions energy: -605.851
where: short stacking energy: -316.911
Base-Backbone interact. energy: -3.535
local terms energy: -432.347384
where:
bonds (distance) C4'-P energy: -112.572
bonds (distance) P-C4' energy: -115.665
flat angles C4'-P-C4' energy: -106.366
flat angles P-C4'-P energy: -57.815
tors. eta vs tors. theta energy: -39.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -819.235375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.235375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.235375 (E_RNA)
where:
Base-Base interactions energy: -411.209
where: short stacking energy: -248.314
Base-Backbone interact. energy: -0.881
local terms energy: -407.145709
where:
bonds (distance) C4'-P energy: -115.186
bonds (distance) P-C4' energy: -117.923
flat angles C4'-P-C4' energy: -101.387
flat angles P-C4'-P energy: -75.532
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2681.928561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.928561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.928561 (E_RNA)
where:
Base-Base interactions energy: -1867.166
where: short stacking energy: -771.258
Base-Backbone interact. energy: -3.093
local terms energy: -811.669837
where:
bonds (distance) C4'-P energy: -149.956
bonds (distance) P-C4' energy: -141.807
flat angles C4'-P-C4' energy: -166.902
flat angles P-C4'-P energy: -107.744
tors. eta vs tors. theta energy: -245.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2551.278508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.278508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.278508 (E_RNA)
where:
Base-Base interactions energy: -1765.089
where: short stacking energy: -754.802
Base-Backbone interact. energy: 1.150
local terms energy: -787.338995
where:
bonds (distance) C4'-P energy: -147.283
bonds (distance) P-C4' energy: -133.583
flat angles C4'-P-C4' energy: -165.323
flat angles P-C4'-P energy: -112.838
tors. eta vs tors. theta energy: -228.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2495.526247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.526247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.526247 (E_RNA)
where:
Base-Base interactions energy: -1706.387
where: short stacking energy: -694.595
Base-Backbone interact. energy: -0.546
local terms energy: -788.593331
where:
bonds (distance) C4'-P energy: -142.421
bonds (distance) P-C4' energy: -153.900
flat angles C4'-P-C4' energy: -171.761
flat angles P-C4'-P energy: -116.175
tors. eta vs tors. theta energy: -204.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2389.866647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.866647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.866647 (E_RNA)
where:
Base-Base interactions energy: -1645.609
where: short stacking energy: -701.868
Base-Backbone interact. energy: -2.975
local terms energy: -741.282246
where:
bonds (distance) C4'-P energy: -122.027
bonds (distance) P-C4' energy: -134.869
flat angles C4'-P-C4' energy: -158.503
flat angles P-C4'-P energy: -108.275
tors. eta vs tors. theta energy: -217.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2267.682182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.682182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.682182 (E_RNA)
where:
Base-Base interactions energy: -1569.589
where: short stacking energy: -648.470
Base-Backbone interact. energy: 1.024
local terms energy: -699.117053
where:
bonds (distance) C4'-P energy: -129.202
bonds (distance) P-C4' energy: -140.647
flat angles C4'-P-C4' energy: -155.980
flat angles P-C4'-P energy: -98.837
tors. eta vs tors. theta energy: -174.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2040.817354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.817354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.817354 (E_RNA)
where:
Base-Base interactions energy: -1367.460
where: short stacking energy: -590.777
Base-Backbone interact. energy: -2.013
local terms energy: -671.344713
where:
bonds (distance) C4'-P energy: -126.500
bonds (distance) P-C4' energy: -125.360
flat angles C4'-P-C4' energy: -148.138
flat angles P-C4'-P energy: -96.395
tors. eta vs tors. theta energy: -174.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1797.065417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.065417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.065417 (E_RNA)
where:
Base-Base interactions energy: -1197.486
where: short stacking energy: -566.262
Base-Backbone interact. energy: -3.521
local terms energy: -596.058010
where:
bonds (distance) C4'-P energy: -116.014
bonds (distance) P-C4' energy: -110.330
flat angles C4'-P-C4' energy: -129.366
flat angles P-C4'-P energy: -82.354
tors. eta vs tors. theta energy: -157.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1243.067098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.067098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.067098 (E_RNA)
where:
Base-Base interactions energy: -732.580
where: short stacking energy: -371.471
Base-Backbone interact. energy: 0.691
local terms energy: -511.178250
where:
bonds (distance) C4'-P energy: -128.838
bonds (distance) P-C4' energy: -118.040
flat angles C4'-P-C4' energy: -130.512
flat angles P-C4'-P energy: -62.421
tors. eta vs tors. theta energy: -71.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1073.965428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.965428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.965428 (E_RNA)
where:
Base-Base interactions energy: -592.269
where: short stacking energy: -293.271
Base-Backbone interact. energy: -2.333
local terms energy: -479.362938
where:
bonds (distance) C4'-P energy: -123.060
bonds (distance) P-C4' energy: -120.047
flat angles C4'-P-C4' energy: -114.353
flat angles P-C4'-P energy: -89.791
tors. eta vs tors. theta energy: -32.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -804.210122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.210122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.210122 (E_RNA)
where:
Base-Base interactions energy: -385.945
where: short stacking energy: -243.920
Base-Backbone interact. energy: 1.600
local terms energy: -419.865360
where:
bonds (distance) C4'-P energy: -107.044
bonds (distance) P-C4' energy: -119.146
flat angles C4'-P-C4' energy: -102.426
flat angles P-C4'-P energy: -63.417
tors. eta vs tors. theta energy: -27.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2635.062585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.062585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.062585 (E_RNA)
where:
Base-Base interactions energy: -1832.029
where: short stacking energy: -791.548
Base-Backbone interact. energy: -3.800
local terms energy: -799.234102
where:
bonds (distance) C4'-P energy: -125.277
bonds (distance) P-C4' energy: -152.084
flat angles C4'-P-C4' energy: -165.423
flat angles P-C4'-P energy: -125.401
tors. eta vs tors. theta energy: -231.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2573.190591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.190591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.190591 (E_RNA)
where:
Base-Base interactions energy: -1784.077
where: short stacking energy: -781.006
Base-Backbone interact. energy: -2.523
local terms energy: -786.590386
where:
bonds (distance) C4'-P energy: -141.415
bonds (distance) P-C4' energy: -133.848
flat angles C4'-P-C4' energy: -166.895
flat angles P-C4'-P energy: -109.895
tors. eta vs tors. theta energy: -234.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2462.083459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.083459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.083459 (E_RNA)
where:
Base-Base interactions energy: -1729.789
where: short stacking energy: -736.401
Base-Backbone interact. energy: 0.318
local terms energy: -732.612671
where:
bonds (distance) C4'-P energy: -119.596
bonds (distance) P-C4' energy: -127.239
flat angles C4'-P-C4' energy: -161.109
flat angles P-C4'-P energy: -113.274
tors. eta vs tors. theta energy: -211.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2378.112667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.112667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.112667 (E_RNA)
where:
Base-Base interactions energy: -1649.212
where: short stacking energy: -710.196
Base-Backbone interact. energy: -0.156
local terms energy: -728.744208
where:
bonds (distance) C4'-P energy: -131.933
bonds (distance) P-C4' energy: -123.576
flat angles C4'-P-C4' energy: -154.450
flat angles P-C4'-P energy: -105.893
tors. eta vs tors. theta energy: -212.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2236.458808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.458808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.458808 (E_RNA)
where:
Base-Base interactions energy: -1538.773
where: short stacking energy: -645.283
Base-Backbone interact. energy: 0.284
local terms energy: -697.969887
where:
bonds (distance) C4'-P energy: -126.983
bonds (distance) P-C4' energy: -132.858
flat angles C4'-P-C4' energy: -151.835
flat angles P-C4'-P energy: -96.860
tors. eta vs tors. theta energy: -189.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2078.819259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.819259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.819259 (E_RNA)
where:
Base-Base interactions energy: -1414.821
where: short stacking energy: -604.619
Base-Backbone interact. energy: 2.638
local terms energy: -666.636097
where:
bonds (distance) C4'-P energy: -121.511
bonds (distance) P-C4' energy: -132.525
flat angles C4'-P-C4' energy: -140.156
flat angles P-C4'-P energy: -112.245
tors. eta vs tors. theta energy: -160.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1844.843497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.843497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.843497 (E_RNA)
where:
Base-Base interactions energy: -1233.447
where: short stacking energy: -522.996
Base-Backbone interact. energy: 7.199
local terms energy: -618.595202
where:
bonds (distance) C4'-P energy: -106.455
bonds (distance) P-C4' energy: -144.382
flat angles C4'-P-C4' energy: -135.547
flat angles P-C4'-P energy: -100.660
tors. eta vs tors. theta energy: -131.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1386.399057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.399057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.399057 (E_RNA)
where:
Base-Base interactions energy: -876.114
where: short stacking energy: -417.589
Base-Backbone interact. energy: -0.465
local terms energy: -509.819805
where:
bonds (distance) C4'-P energy: -100.645
bonds (distance) P-C4' energy: -118.148
flat angles C4'-P-C4' energy: -136.534
flat angles P-C4'-P energy: -71.411
tors. eta vs tors. theta energy: -83.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1037.312037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.312037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.312037 (E_RNA)
where:
Base-Base interactions energy: -566.745
where: short stacking energy: -293.968
Base-Backbone interact. energy: 1.495
local terms energy: -472.062168
where:
bonds (distance) C4'-P energy: -115.939
bonds (distance) P-C4' energy: -125.959
flat angles C4'-P-C4' energy: -117.805
flat angles P-C4'-P energy: -89.434
tors. eta vs tors. theta energy: -22.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -833.372953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.372953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.372953 (E_RNA)
where:
Base-Base interactions energy: -387.981
where: short stacking energy: -216.156
Base-Backbone interact. energy: 3.438
local terms energy: -448.830080
where:
bonds (distance) C4'-P energy: -106.527
bonds (distance) P-C4' energy: -136.770
flat angles C4'-P-C4' energy: -112.709
flat angles P-C4'-P energy: -76.387
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2674.528781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.528781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.528781 (E_RNA)
where:
Base-Base interactions energy: -1854.200
where: short stacking energy: -787.544
Base-Backbone interact. energy: -6.395
local terms energy: -813.934188
where:
bonds (distance) C4'-P energy: -152.545
bonds (distance) P-C4' energy: -147.094
flat angles C4'-P-C4' energy: -162.320
flat angles P-C4'-P energy: -108.843
tors. eta vs tors. theta energy: -243.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2583.233378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.233378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.233378 (E_RNA)
where:
Base-Base interactions energy: -1785.011
where: short stacking energy: -774.532
Base-Backbone interact. energy: -1.259
local terms energy: -796.962663
where:
bonds (distance) C4'-P energy: -137.582
bonds (distance) P-C4' energy: -136.657
flat angles C4'-P-C4' energy: -179.267
flat angles P-C4'-P energy: -110.352
tors. eta vs tors. theta energy: -233.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2444.728033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.728033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.728033 (E_RNA)
where:
Base-Base interactions energy: -1705.496
where: short stacking energy: -705.071
Base-Backbone interact. energy: 6.310
local terms energy: -745.542923
where:
bonds (distance) C4'-P energy: -125.136
bonds (distance) P-C4' energy: -147.681
flat angles C4'-P-C4' energy: -166.443
flat angles P-C4'-P energy: -112.014
tors. eta vs tors. theta energy: -194.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2406.379364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.379364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.379364 (E_RNA)
where:
Base-Base interactions energy: -1673.791
where: short stacking energy: -738.647
Base-Backbone interact. energy: -1.833
local terms energy: -730.755422
where:
bonds (distance) C4'-P energy: -123.930
bonds (distance) P-C4' energy: -127.648
flat angles C4'-P-C4' energy: -161.717
flat angles P-C4'-P energy: -100.896
tors. eta vs tors. theta energy: -216.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2292.459409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.459409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.459409 (E_RNA)
where:
Base-Base interactions energy: -1622.834
where: short stacking energy: -681.733
Base-Backbone interact. energy: -1.946
local terms energy: -667.679541
where:
bonds (distance) C4'-P energy: -126.633
bonds (distance) P-C4' energy: -109.583
flat angles C4'-P-C4' energy: -147.598
flat angles P-C4'-P energy: -94.939
tors. eta vs tors. theta energy: -188.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2168.701922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.701922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.701922 (E_RNA)
where:
Base-Base interactions energy: -1484.341
where: short stacking energy: -633.214
Base-Backbone interact. energy: -2.234
local terms energy: -682.127396
where:
bonds (distance) C4'-P energy: -127.878
bonds (distance) P-C4' energy: -135.126
flat angles C4'-P-C4' energy: -140.490
flat angles P-C4'-P energy: -104.490
tors. eta vs tors. theta energy: -174.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1778.732081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.732081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.732081 (E_RNA)
where:
Base-Base interactions energy: -1186.831
where: short stacking energy: -507.277
Base-Backbone interact. energy: -1.859
local terms energy: -590.041771
where:
bonds (distance) C4'-P energy: -110.440
bonds (distance) P-C4' energy: -114.668
flat angles C4'-P-C4' energy: -125.261
flat angles P-C4'-P energy: -99.526
tors. eta vs tors. theta energy: -140.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1409.102865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.102865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.102865 (E_RNA)
where:
Base-Base interactions energy: -887.709
where: short stacking energy: -412.812
Base-Backbone interact. energy: -2.252
local terms energy: -519.141808
where:
bonds (distance) C4'-P energy: -125.257
bonds (distance) P-C4' energy: -110.740
flat angles C4'-P-C4' energy: -125.921
flat angles P-C4'-P energy: -59.823
tors. eta vs tors. theta energy: -97.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1091.595205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.595205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.595205 (E_RNA)
where:
Base-Base interactions energy: -621.069
where: short stacking energy: -334.889
Base-Backbone interact. energy: -1.128
local terms energy: -469.397655
where:
bonds (distance) C4'-P energy: -123.336
bonds (distance) P-C4' energy: -121.259
flat angles C4'-P-C4' energy: -109.537
flat angles P-C4'-P energy: -69.344
tors. eta vs tors. theta energy: -45.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -816.996429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.996429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.996429 (E_RNA)
where:
Base-Base interactions energy: -410.581
where: short stacking energy: -219.275
Base-Backbone interact. energy: -4.147
local terms energy: -402.268497
where:
bonds (distance) C4'-P energy: -123.569
bonds (distance) P-C4' energy: -116.708
flat angles C4'-P-C4' energy: -110.601
flat angles P-C4'-P energy: -48.604
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2664.783613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.783613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.783613 (E_RNA)
where:
Base-Base interactions energy: -1845.555
where: short stacking energy: -792.137
Base-Backbone interact. energy: -1.488
local terms energy: -817.740776
where:
bonds (distance) C4'-P energy: -153.928
bonds (distance) P-C4' energy: -144.772
flat angles C4'-P-C4' energy: -158.860
flat angles P-C4'-P energy: -113.429
tors. eta vs tors. theta energy: -246.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2560.165519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.165519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.165519 (E_RNA)
where:
Base-Base interactions energy: -1783.694
where: short stacking energy: -779.644
Base-Backbone interact. energy: -1.584
local terms energy: -774.887872
where:
bonds (distance) C4'-P energy: -137.800
bonds (distance) P-C4' energy: -146.434
flat angles C4'-P-C4' energy: -155.807
flat angles P-C4'-P energy: -102.832
tors. eta vs tors. theta energy: -232.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2483.055739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.055739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.055739 (E_RNA)
where:
Base-Base interactions energy: -1762.725
where: short stacking energy: -743.578
Base-Backbone interact. energy: -2.536
local terms energy: -717.794713
where:
bonds (distance) C4'-P energy: -123.082
bonds (distance) P-C4' energy: -129.067
flat angles C4'-P-C4' energy: -164.671
flat angles P-C4'-P energy: -102.050
tors. eta vs tors. theta energy: -198.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2419.882470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.882470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.882470 (E_RNA)
where:
Base-Base interactions energy: -1673.336
where: short stacking energy: -752.498
Base-Backbone interact. energy: -0.415
local terms energy: -746.131492
where:
bonds (distance) C4'-P energy: -139.003
bonds (distance) P-C4' energy: -120.709
flat angles C4'-P-C4' energy: -161.132
flat angles P-C4'-P energy: -114.654
tors. eta vs tors. theta energy: -210.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2230.838497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.838497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.838497 (E_RNA)
where:
Base-Base interactions energy: -1509.908
where: short stacking energy: -631.812
Base-Backbone interact. energy: -3.641
local terms energy: -717.288919
where:
bonds (distance) C4'-P energy: -119.033
bonds (distance) P-C4' energy: -139.608
flat angles C4'-P-C4' energy: -151.756
flat angles P-C4'-P energy: -100.213
tors. eta vs tors. theta energy: -206.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2084.606874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.606874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.606874 (E_RNA)
where:
Base-Base interactions energy: -1403.470
where: short stacking energy: -594.965
Base-Backbone interact. energy: -3.825
local terms energy: -677.311337
where:
bonds (distance) C4'-P energy: -140.379
bonds (distance) P-C4' energy: -128.615
flat angles C4'-P-C4' energy: -154.535
flat angles P-C4'-P energy: -90.276
tors. eta vs tors. theta energy: -163.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1752.516217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.516217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.516217 (E_RNA)
where:
Base-Base interactions energy: -1171.447
where: short stacking energy: -509.353
Base-Backbone interact. energy: 2.255
local terms energy: -583.324040
where:
bonds (distance) C4'-P energy: -124.741
bonds (distance) P-C4' energy: -128.235
flat angles C4'-P-C4' energy: -134.263
flat angles P-C4'-P energy: -73.118
tors. eta vs tors. theta energy: -122.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1429.200327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.200327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.200327 (E_RNA)
where:
Base-Base interactions energy: -912.658
where: short stacking energy: -403.305
Base-Backbone interact. energy: 2.736
local terms energy: -519.278731
where:
bonds (distance) C4'-P energy: -98.230
bonds (distance) P-C4' energy: -128.508
flat angles C4'-P-C4' energy: -122.741
flat angles P-C4'-P energy: -85.242
tors. eta vs tors. theta energy: -84.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1063.972150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.972150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.972150 (E_RNA)
where:
Base-Base interactions energy: -594.911
where: short stacking energy: -307.229
Base-Backbone interact. energy: -1.018
local terms energy: -468.042753
where:
bonds (distance) C4'-P energy: -116.288
bonds (distance) P-C4' energy: -138.612
flat angles C4'-P-C4' energy: -110.278
flat angles P-C4'-P energy: -57.511
tors. eta vs tors. theta energy: -45.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -806.381053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.381053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.381053 (E_RNA)
where:
Base-Base interactions energy: -431.269
where: short stacking energy: -226.659
Base-Backbone interact. energy: 2.546
local terms energy: -377.657651
where:
bonds (distance) C4'-P energy: -114.943
bonds (distance) P-C4' energy: -116.308
flat angles C4'-P-C4' energy: -85.303
flat angles P-C4'-P energy: -60.956
tors. eta vs tors. theta energy: -0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2654.128685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.128685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.128685 (E_RNA)
where:
Base-Base interactions energy: -1856.659
where: short stacking energy: -795.327
Base-Backbone interact. energy: -3.841
local terms energy: -793.628532
where:
bonds (distance) C4'-P energy: -140.645
bonds (distance) P-C4' energy: -130.746
flat angles C4'-P-C4' energy: -164.016
flat angles P-C4'-P energy: -117.741
tors. eta vs tors. theta energy: -240.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2580.603478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.603478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.603478 (E_RNA)
where:
Base-Base interactions energy: -1795.641
where: short stacking energy: -790.739
Base-Backbone interact. energy: 2.770
local terms energy: -787.732651
where:
bonds (distance) C4'-P energy: -131.807
bonds (distance) P-C4' energy: -143.518
flat angles C4'-P-C4' energy: -167.118
flat angles P-C4'-P energy: -109.353
tors. eta vs tors. theta energy: -235.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2452.608590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.608590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.608590 (E_RNA)
where:
Base-Base interactions energy: -1736.589
where: short stacking energy: -724.384
Base-Backbone interact. energy: 1.112
local terms energy: -717.131076
where:
bonds (distance) C4'-P energy: -124.598
bonds (distance) P-C4' energy: -122.134
flat angles C4'-P-C4' energy: -169.532
flat angles P-C4'-P energy: -102.652
tors. eta vs tors. theta energy: -198.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2456.680619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.680619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.680619 (E_RNA)
where:
Base-Base interactions energy: -1673.590
where: short stacking energy: -729.520
Base-Backbone interact. energy: -1.405
local terms energy: -781.684810
where:
bonds (distance) C4'-P energy: -146.683
bonds (distance) P-C4' energy: -145.075
flat angles C4'-P-C4' energy: -158.137
flat angles P-C4'-P energy: -113.496
tors. eta vs tors. theta energy: -218.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2265.764873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.764873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.764873 (E_RNA)
where:
Base-Base interactions energy: -1542.400
where: short stacking energy: -680.011
Base-Backbone interact. energy: -3.464
local terms energy: -719.901090
where:
bonds (distance) C4'-P energy: -135.133
bonds (distance) P-C4' energy: -134.192
flat angles C4'-P-C4' energy: -152.816
flat angles P-C4'-P energy: -104.977
tors. eta vs tors. theta energy: -192.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2059.492844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.492844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.492844 (E_RNA)
where:
Base-Base interactions energy: -1385.999
where: short stacking energy: -603.122
Base-Backbone interact. energy: -1.317
local terms energy: -672.176333
where:
bonds (distance) C4'-P energy: -119.820
bonds (distance) P-C4' energy: -129.165
flat angles C4'-P-C4' energy: -157.420
flat angles P-C4'-P energy: -93.460
tors. eta vs tors. theta energy: -172.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1755.438527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.438527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.438527 (E_RNA)
where:
Base-Base interactions energy: -1152.793
where: short stacking energy: -491.577
Base-Backbone interact. energy: -3.452
local terms energy: -599.193608
where:
bonds (distance) C4'-P energy: -128.908
bonds (distance) P-C4' energy: -127.492
flat angles C4'-P-C4' energy: -130.570
flat angles P-C4'-P energy: -87.940
tors. eta vs tors. theta energy: -124.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1431.109913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.109913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.109913 (E_RNA)
where:
Base-Base interactions energy: -913.021
where: short stacking energy: -433.818
Base-Backbone interact. energy: 0.676
local terms energy: -518.765244
where:
bonds (distance) C4'-P energy: -122.459
bonds (distance) P-C4' energy: -116.628
flat angles C4'-P-C4' energy: -111.211
flat angles P-C4'-P energy: -61.327
tors. eta vs tors. theta energy: -107.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1066.476749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.476749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.476749 (E_RNA)
where:
Base-Base interactions energy: -607.813
where: short stacking energy: -305.943
Base-Backbone interact. energy: 1.330
local terms energy: -459.993440
where:
bonds (distance) C4'-P energy: -129.943
bonds (distance) P-C4' energy: -125.074
flat angles C4'-P-C4' energy: -97.223
flat angles P-C4'-P energy: -66.277
tors. eta vs tors. theta energy: -41.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -837.681292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.681292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.681292 (E_RNA)
where:
Base-Base interactions energy: -454.525
where: short stacking energy: -233.345
Base-Backbone interact. energy: 2.412
local terms energy: -385.568274
where:
bonds (distance) C4'-P energy: -115.187
bonds (distance) P-C4' energy: -98.886
flat angles C4'-P-C4' energy: -102.986
flat angles P-C4'-P energy: -69.026
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2657.680161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.680161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.680161 (E_RNA)
where:
Base-Base interactions energy: -1834.408
where: short stacking energy: -779.975
Base-Backbone interact. energy: -2.594
local terms energy: -820.678101
where:
bonds (distance) C4'-P energy: -143.244
bonds (distance) P-C4' energy: -152.878
flat angles C4'-P-C4' energy: -168.224
flat angles P-C4'-P energy: -119.825
tors. eta vs tors. theta energy: -236.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2574.074128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.074128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.074128 (E_RNA)
where:
Base-Base interactions energy: -1768.577
where: short stacking energy: -782.715
Base-Backbone interact. energy: -1.988
local terms energy: -803.508468
where:
bonds (distance) C4'-P energy: -132.727
bonds (distance) P-C4' energy: -146.260
flat angles C4'-P-C4' energy: -173.875
flat angles P-C4'-P energy: -108.397
tors. eta vs tors. theta energy: -242.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2475.069534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.069534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.069534 (E_RNA)
where:
Base-Base interactions energy: -1724.873
where: short stacking energy: -734.551
Base-Backbone interact. energy: -2.246
local terms energy: -747.949940
where:
bonds (distance) C4'-P energy: -124.327
bonds (distance) P-C4' energy: -136.013
flat angles C4'-P-C4' energy: -163.966
flat angles P-C4'-P energy: -110.466
tors. eta vs tors. theta energy: -213.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2407.441301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.441301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.441301 (E_RNA)
where:
Base-Base interactions energy: -1678.056
where: short stacking energy: -708.306
Base-Backbone interact. energy: -2.641
local terms energy: -726.743808
where:
bonds (distance) C4'-P energy: -126.909
bonds (distance) P-C4' energy: -137.355
flat angles C4'-P-C4' energy: -149.610
flat angles P-C4'-P energy: -112.036
tors. eta vs tors. theta energy: -200.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2268.501318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.501318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.501318 (E_RNA)
where:
Base-Base interactions energy: -1552.169
where: short stacking energy: -659.082
Base-Backbone interact. energy: -1.087
local terms energy: -715.245695
where:
bonds (distance) C4'-P energy: -136.907
bonds (distance) P-C4' energy: -119.787
flat angles C4'-P-C4' energy: -151.577
flat angles P-C4'-P energy: -101.820
tors. eta vs tors. theta energy: -205.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2054.274637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.274637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.274637 (E_RNA)
where:
Base-Base interactions energy: -1412.375
where: short stacking energy: -592.549
Base-Backbone interact. energy: 1.205
local terms energy: -643.104611
where:
bonds (distance) C4'-P energy: -124.659
bonds (distance) P-C4' energy: -125.377
flat angles C4'-P-C4' energy: -136.979
flat angles P-C4'-P energy: -87.246
tors. eta vs tors. theta energy: -168.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1803.856294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.856294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.856294 (E_RNA)
where:
Base-Base interactions energy: -1204.369
where: short stacking energy: -536.025
Base-Backbone interact. energy: 0.997
local terms energy: -600.484237
where:
bonds (distance) C4'-P energy: -111.966
bonds (distance) P-C4' energy: -123.913
flat angles C4'-P-C4' energy: -135.474
flat angles P-C4'-P energy: -78.717
tors. eta vs tors. theta energy: -150.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1460.466045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.466045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.466045 (E_RNA)
where:
Base-Base interactions energy: -932.020
where: short stacking energy: -426.565
Base-Backbone interact. energy: -0.546
local terms energy: -527.900182
where:
bonds (distance) C4'-P energy: -119.430
bonds (distance) P-C4' energy: -104.557
flat angles C4'-P-C4' energy: -123.109
flat angles P-C4'-P energy: -91.437
tors. eta vs tors. theta energy: -89.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1035.067703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.067703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.067703 (E_RNA)
where:
Base-Base interactions energy: -599.612
where: short stacking energy: -324.040
Base-Backbone interact. energy: 0.995
local terms energy: -436.449778
where:
bonds (distance) C4'-P energy: -116.415
bonds (distance) P-C4' energy: -132.800
flat angles C4'-P-C4' energy: -95.808
flat angles P-C4'-P energy: -52.745
tors. eta vs tors. theta energy: -38.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -880.119222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.119222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.119222 (E_RNA)
where:
Base-Base interactions energy: -464.390
where: short stacking energy: -242.486
Base-Backbone interact. energy: 0.911
local terms energy: -416.640174
where:
bonds (distance) C4'-P energy: -108.787
bonds (distance) P-C4' energy: -145.064
flat angles C4'-P-C4' energy: -100.957
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2664.362015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.362015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.362015 (E_RNA)
where:
Base-Base interactions energy: -1859.076
where: short stacking energy: -768.375
Base-Backbone interact. energy: -1.251
local terms energy: -804.034955
where:
bonds (distance) C4'-P energy: -152.985
bonds (distance) P-C4' energy: -131.243
flat angles C4'-P-C4' energy: -174.180
flat angles P-C4'-P energy: -115.250
tors. eta vs tors. theta energy: -230.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2586.791339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.791339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.791339 (E_RNA)
where:
Base-Base interactions energy: -1811.832
where: short stacking energy: -815.257
Base-Backbone interact. energy: -0.021
local terms energy: -774.938634
where:
bonds (distance) C4'-P energy: -120.496
bonds (distance) P-C4' energy: -147.960
flat angles C4'-P-C4' energy: -153.170
flat angles P-C4'-P energy: -105.147
tors. eta vs tors. theta energy: -248.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2494.335717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.335717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.335717 (E_RNA)
where:
Base-Base interactions energy: -1724.807
where: short stacking energy: -729.645
Base-Backbone interact. energy: -3.296
local terms energy: -766.232600
where:
bonds (distance) C4'-P energy: -125.489
bonds (distance) P-C4' energy: -146.024
flat angles C4'-P-C4' energy: -168.047
flat angles P-C4'-P energy: -110.717
tors. eta vs tors. theta energy: -215.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2376.692056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.692056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.692056 (E_RNA)
where:
Base-Base interactions energy: -1654.973
where: short stacking energy: -685.582
Base-Backbone interact. energy: -3.379
local terms energy: -718.339493
where:
bonds (distance) C4'-P energy: -105.710
bonds (distance) P-C4' energy: -150.742
flat angles C4'-P-C4' energy: -157.507
flat angles P-C4'-P energy: -97.161
tors. eta vs tors. theta energy: -207.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2186.491307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.491307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.491307 (E_RNA)
where:
Base-Base interactions energy: -1486.499
where: short stacking energy: -627.846
Base-Backbone interact. energy: -2.675
local terms energy: -697.317550
where:
bonds (distance) C4'-P energy: -126.189
bonds (distance) P-C4' energy: -144.607
flat angles C4'-P-C4' energy: -148.136
flat angles P-C4'-P energy: -105.492
tors. eta vs tors. theta energy: -172.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2047.499524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.499524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.499524 (E_RNA)
where:
Base-Base interactions energy: -1366.635
where: short stacking energy: -612.421
Base-Backbone interact. energy: 1.112
local terms energy: -681.977201
where:
bonds (distance) C4'-P energy: -137.608
bonds (distance) P-C4' energy: -134.028
flat angles C4'-P-C4' energy: -148.974
flat angles P-C4'-P energy: -87.997
tors. eta vs tors. theta energy: -173.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1775.258939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.258939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.258939 (E_RNA)
where:
Base-Base interactions energy: -1154.968
where: short stacking energy: -527.946
Base-Backbone interact. energy: -1.203
local terms energy: -619.087941
where:
bonds (distance) C4'-P energy: -109.430
bonds (distance) P-C4' energy: -138.214
flat angles C4'-P-C4' energy: -147.185
flat angles P-C4'-P energy: -84.832
tors. eta vs tors. theta energy: -139.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1440.853002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.853002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.853002 (E_RNA)
where:
Base-Base interactions energy: -890.788
where: short stacking energy: -389.714
Base-Backbone interact. energy: -2.736
local terms energy: -547.328998
where:
bonds (distance) C4'-P energy: -123.436
bonds (distance) P-C4' energy: -146.543
flat angles C4'-P-C4' energy: -123.151
flat angles P-C4'-P energy: -74.819
tors. eta vs tors. theta energy: -79.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1023.622964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.622964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.622964 (E_RNA)
where:
Base-Base interactions energy: -563.017
where: short stacking energy: -296.985
Base-Backbone interact. energy: 1.226
local terms energy: -461.831613
where:
bonds (distance) C4'-P energy: -109.936
bonds (distance) P-C4' energy: -133.807
flat angles C4'-P-C4' energy: -125.201
flat angles P-C4'-P energy: -63.934
tors. eta vs tors. theta energy: -28.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -927.805165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.805165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.805165 (E_RNA)
where:
Base-Base interactions energy: -520.969
where: short stacking energy: -255.360
Base-Backbone interact. energy: -0.352
local terms energy: -406.484856
where:
bonds (distance) C4'-P energy: -93.832
bonds (distance) P-C4' energy: -130.667
flat angles C4'-P-C4' energy: -106.222
flat angles P-C4'-P energy: -61.233
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2644.650487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.650487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.650487 (E_RNA)
where:
Base-Base interactions energy: -1819.362
where: short stacking energy: -746.175
Base-Backbone interact. energy: -1.937
local terms energy: -823.351697
where:
bonds (distance) C4'-P energy: -164.271
bonds (distance) P-C4' energy: -148.235
flat angles C4'-P-C4' energy: -162.499
flat angles P-C4'-P energy: -116.182
tors. eta vs tors. theta energy: -232.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2614.267283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.267283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.267283 (E_RNA)
where:
Base-Base interactions energy: -1788.516
where: short stacking energy: -780.012
Base-Backbone interact. energy: -5.093
local terms energy: -820.658110
where:
bonds (distance) C4'-P energy: -152.373
bonds (distance) P-C4' energy: -140.735
flat angles C4'-P-C4' energy: -168.125
flat angles P-C4'-P energy: -120.778
tors. eta vs tors. theta energy: -238.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2498.069013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.069013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.069013 (E_RNA)
where:
Base-Base interactions energy: -1730.937
where: short stacking energy: -743.624
Base-Backbone interact. energy: -1.235
local terms energy: -765.896417
where:
bonds (distance) C4'-P energy: -119.401
bonds (distance) P-C4' energy: -146.119
flat angles C4'-P-C4' energy: -164.988
flat angles P-C4'-P energy: -106.373
tors. eta vs tors. theta energy: -229.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2392.174071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.174071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.174071 (E_RNA)
where:
Base-Base interactions energy: -1666.477
where: short stacking energy: -700.090
Base-Backbone interact. energy: -4.590
local terms energy: -721.107567
where:
bonds (distance) C4'-P energy: -131.543
bonds (distance) P-C4' energy: -139.823
flat angles C4'-P-C4' energy: -151.527
flat angles P-C4'-P energy: -102.499
tors. eta vs tors. theta energy: -195.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2138.615954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.615954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.615954 (E_RNA)
where:
Base-Base interactions energy: -1457.599
where: short stacking energy: -610.786
Base-Backbone interact. energy: -3.146
local terms energy: -677.871168
where:
bonds (distance) C4'-P energy: -115.258
bonds (distance) P-C4' energy: -122.355
flat angles C4'-P-C4' energy: -152.285
flat angles P-C4'-P energy: -106.883
tors. eta vs tors. theta energy: -181.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2014.221035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.221035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.221035 (E_RNA)
where:
Base-Base interactions energy: -1359.515
where: short stacking energy: -594.312
Base-Backbone interact. energy: -1.652
local terms energy: -653.054968
where:
bonds (distance) C4'-P energy: -94.772
bonds (distance) P-C4' energy: -156.806
flat angles C4'-P-C4' energy: -125.686
flat angles P-C4'-P energy: -105.286
tors. eta vs tors. theta energy: -170.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1847.813576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.813576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.813576 (E_RNA)
where:
Base-Base interactions energy: -1244.619
where: short stacking energy: -555.574
Base-Backbone interact. energy: -0.049
local terms energy: -603.145479
where:
bonds (distance) C4'-P energy: -115.554
bonds (distance) P-C4' energy: -116.772
flat angles C4'-P-C4' energy: -142.425
flat angles P-C4'-P energy: -77.897
tors. eta vs tors. theta energy: -150.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1437.522861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.522861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.522861 (E_RNA)
where:
Base-Base interactions energy: -932.781
where: short stacking energy: -432.573
Base-Backbone interact. energy: -0.735
local terms energy: -504.007050
where:
bonds (distance) C4'-P energy: -126.574
bonds (distance) P-C4' energy: -103.646
flat angles C4'-P-C4' energy: -120.579
flat angles P-C4'-P energy: -69.834
tors. eta vs tors. theta energy: -83.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1137.899816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.899816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.899816 (E_RNA)
where:
Base-Base interactions energy: -676.391
where: short stacking energy: -343.910
Base-Backbone interact. energy: 1.193
local terms energy: -462.702138
where:
bonds (distance) C4'-P energy: -118.580
bonds (distance) P-C4' energy: -119.829
flat angles C4'-P-C4' energy: -111.428
flat angles P-C4'-P energy: -66.193
tors. eta vs tors. theta energy: -46.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -860.444833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.444833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.444833 (E_RNA)
where:
Base-Base interactions energy: -448.545
where: short stacking energy: -234.971
Base-Backbone interact. energy: -3.307
local terms energy: -408.593057
where:
bonds (distance) C4'-P energy: -120.107
bonds (distance) P-C4' energy: -129.609
flat angles C4'-P-C4' energy: -107.168
flat angles P-C4'-P energy: -55.858
tors. eta vs tors. theta energy: 4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2640.206129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.206129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.206129 (E_RNA)
where:
Base-Base interactions energy: -1812.861
where: short stacking energy: -771.565
Base-Backbone interact. energy: -1.803
local terms energy: -825.542027
where:
bonds (distance) C4'-P energy: -150.234
bonds (distance) P-C4' energy: -164.854
flat angles C4'-P-C4' energy: -159.040
flat angles P-C4'-P energy: -120.654
tors. eta vs tors. theta energy: -230.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2573.888841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.888841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.888841 (E_RNA)
where:
Base-Base interactions energy: -1745.125
where: short stacking energy: -774.458
Base-Backbone interact. energy: -4.003
local terms energy: -824.760927
where:
bonds (distance) C4'-P energy: -142.795
bonds (distance) P-C4' energy: -142.413
flat angles C4'-P-C4' energy: -177.771
flat angles P-C4'-P energy: -123.450
tors. eta vs tors. theta energy: -238.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2509.414550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.414550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.414550 (E_RNA)
where:
Base-Base interactions energy: -1739.407
where: short stacking energy: -759.239
Base-Backbone interact. energy: 0.152
local terms energy: -770.158776
where:
bonds (distance) C4'-P energy: -143.102
bonds (distance) P-C4' energy: -135.985
flat angles C4'-P-C4' energy: -164.367
flat angles P-C4'-P energy: -107.004
tors. eta vs tors. theta energy: -219.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2402.130941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.130941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.130941 (E_RNA)
where:
Base-Base interactions energy: -1697.486
where: short stacking energy: -676.772
Base-Backbone interact. energy: -3.418
local terms energy: -701.226885
where:
bonds (distance) C4'-P energy: -117.205
bonds (distance) P-C4' energy: -135.584
flat angles C4'-P-C4' energy: -159.801
flat angles P-C4'-P energy: -96.865
tors. eta vs tors. theta energy: -191.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2156.804406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.804406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.804406 (E_RNA)
where:
Base-Base interactions energy: -1479.126
where: short stacking energy: -655.038
Base-Backbone interact. energy: 0.386
local terms energy: -678.064191
where:
bonds (distance) C4'-P energy: -124.864
bonds (distance) P-C4' energy: -120.385
flat angles C4'-P-C4' energy: -145.718
flat angles P-C4'-P energy: -99.286
tors. eta vs tors. theta energy: -187.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1983.670238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.670238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.670238 (E_RNA)
where:
Base-Base interactions energy: -1330.119
where: short stacking energy: -573.625
Base-Backbone interact. energy: -5.434
local terms energy: -648.117430
where:
bonds (distance) C4'-P energy: -128.963
bonds (distance) P-C4' energy: -144.806
flat angles C4'-P-C4' energy: -129.901
flat angles P-C4'-P energy: -90.047
tors. eta vs tors. theta energy: -154.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1827.450309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.450309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.450309 (E_RNA)
where:
Base-Base interactions energy: -1228.589
where: short stacking energy: -491.112
Base-Backbone interact. energy: -1.717
local terms energy: -597.144553
where:
bonds (distance) C4'-P energy: -128.331
bonds (distance) P-C4' energy: -135.036
flat angles C4'-P-C4' energy: -145.307
flat angles P-C4'-P energy: -69.396
tors. eta vs tors. theta energy: -119.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1402.932666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.932666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.932666 (E_RNA)
where:
Base-Base interactions energy: -910.591
where: short stacking energy: -433.142
Base-Backbone interact. energy: 2.901
local terms energy: -495.242939
where:
bonds (distance) C4'-P energy: -98.773
bonds (distance) P-C4' energy: -146.761
flat angles C4'-P-C4' energy: -114.776
flat angles P-C4'-P energy: -57.128
tors. eta vs tors. theta energy: -77.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1077.373460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.373460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.373460 (E_RNA)
where:
Base-Base interactions energy: -594.207
where: short stacking energy: -319.285
Base-Backbone interact. energy: -1.705
local terms energy: -481.461708
where:
bonds (distance) C4'-P energy: -123.994
bonds (distance) P-C4' energy: -108.279
flat angles C4'-P-C4' energy: -112.651
flat angles P-C4'-P energy: -83.074
tors. eta vs tors. theta energy: -53.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -860.179120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.179120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.179120 (E_RNA)
where:
Base-Base interactions energy: -439.167
where: short stacking energy: -218.013
Base-Backbone interact. energy: 1.961
local terms energy: -422.973783
where:
bonds (distance) C4'-P energy: -109.912
bonds (distance) P-C4' energy: -138.567
flat angles C4'-P-C4' energy: -105.143
flat angles P-C4'-P energy: -76.140
tors. eta vs tors. theta energy: 6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2636.795264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.795264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.795264 (E_RNA)
where:
Base-Base interactions energy: -1817.703
where: short stacking energy: -782.163
Base-Backbone interact. energy: -3.612
local terms energy: -815.479929
where:
bonds (distance) C4'-P energy: -144.909
bonds (distance) P-C4' energy: -149.437
flat angles C4'-P-C4' energy: -174.499
flat angles P-C4'-P energy: -111.603
tors. eta vs tors. theta energy: -235.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2583.316221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.316221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.316221 (E_RNA)
where:
Base-Base interactions energy: -1811.873
where: short stacking energy: -801.380
Base-Backbone interact. energy: -4.019
local terms energy: -767.424586
where:
bonds (distance) C4'-P energy: -122.476
bonds (distance) P-C4' energy: -140.597
flat angles C4'-P-C4' energy: -162.376
flat angles P-C4'-P energy: -101.631
tors. eta vs tors. theta energy: -240.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2553.453370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.453370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.453370 (E_RNA)
where:
Base-Base interactions energy: -1779.677
where: short stacking energy: -760.188
Base-Backbone interact. energy: -0.399
local terms energy: -773.377229
where:
bonds (distance) C4'-P energy: -132.932
bonds (distance) P-C4' energy: -134.385
flat angles C4'-P-C4' energy: -156.113
flat angles P-C4'-P energy: -122.263
tors. eta vs tors. theta energy: -227.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2381.159610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.159610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.159610 (E_RNA)
where:
Base-Base interactions energy: -1631.540
where: short stacking energy: -680.341
Base-Backbone interact. energy: -3.945
local terms energy: -745.674780
where:
bonds (distance) C4'-P energy: -150.094
bonds (distance) P-C4' energy: -135.846
flat angles C4'-P-C4' energy: -163.814
flat angles P-C4'-P energy: -106.295
tors. eta vs tors. theta energy: -189.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2135.475597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.475597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.475597 (E_RNA)
where:
Base-Base interactions energy: -1454.570
where: short stacking energy: -617.784
Base-Backbone interact. energy: -3.974
local terms energy: -676.931849
where:
bonds (distance) C4'-P energy: -136.694
bonds (distance) P-C4' energy: -135.258
flat angles C4'-P-C4' energy: -141.706
flat angles P-C4'-P energy: -94.953
tors. eta vs tors. theta energy: -168.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2015.588885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.588885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.588885 (E_RNA)
where:
Base-Base interactions energy: -1378.320
where: short stacking energy: -593.586
Base-Backbone interact. energy: -1.378
local terms energy: -635.890127
where:
bonds (distance) C4'-P energy: -124.857
bonds (distance) P-C4' energy: -127.232
flat angles C4'-P-C4' energy: -134.347
flat angles P-C4'-P energy: -82.848
tors. eta vs tors. theta energy: -166.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1857.978056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.978056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.978056 (E_RNA)
where:
Base-Base interactions energy: -1236.238
where: short stacking energy: -532.094
Base-Backbone interact. energy: -3.535
local terms energy: -618.205013
where:
bonds (distance) C4'-P energy: -122.348
bonds (distance) P-C4' energy: -122.410
flat angles C4'-P-C4' energy: -134.661
flat angles P-C4'-P energy: -93.174
tors. eta vs tors. theta energy: -145.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1375.137883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.137883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.137883 (E_RNA)
where:
Base-Base interactions energy: -852.743
where: short stacking energy: -419.739
Base-Backbone interact. energy: 1.853
local terms energy: -524.247545
where:
bonds (distance) C4'-P energy: -111.524
bonds (distance) P-C4' energy: -139.218
flat angles C4'-P-C4' energy: -124.195
flat angles P-C4'-P energy: -73.402
tors. eta vs tors. theta energy: -75.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1061.840699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.840699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.840699 (E_RNA)
where:
Base-Base interactions energy: -642.193
where: short stacking energy: -329.442
Base-Backbone interact. energy: 3.719
local terms energy: -423.366789
where:
bonds (distance) C4'-P energy: -102.732
bonds (distance) P-C4' energy: -113.802
flat angles C4'-P-C4' energy: -110.505
flat angles P-C4'-P energy: -61.287
tors. eta vs tors. theta energy: -35.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -881.919065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.919065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.919065 (E_RNA)
where:
Base-Base interactions energy: -486.969
where: short stacking energy: -251.839
Base-Backbone interact. energy: 2.103
local terms energy: -397.053766
where:
bonds (distance) C4'-P energy: -114.427
bonds (distance) P-C4' energy: -129.269
flat angles C4'-P-C4' energy: -86.177
flat angles P-C4'-P energy: -53.980
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2633.215627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.215627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.215627 (E_RNA)
where:
Base-Base interactions energy: -1823.617
where: short stacking energy: -790.328
Base-Backbone interact. energy: -0.884
local terms energy: -808.714105
where:
bonds (distance) C4'-P energy: -143.986
bonds (distance) P-C4' energy: -154.875
flat angles C4'-P-C4' energy: -167.099
flat angles P-C4'-P energy: -109.050
tors. eta vs tors. theta energy: -233.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2554.767034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.767034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.767034 (E_RNA)
where:
Base-Base interactions energy: -1772.220
where: short stacking energy: -787.972
Base-Backbone interact. energy: -5.458
local terms energy: -777.088902
where:
bonds (distance) C4'-P energy: -123.489
bonds (distance) P-C4' energy: -144.870
flat angles C4'-P-C4' energy: -167.199
flat angles P-C4'-P energy: -107.987
tors. eta vs tors. theta energy: -233.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2541.625064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.625064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.625064 (E_RNA)
where:
Base-Base interactions energy: -1729.854
where: short stacking energy: -774.115
Base-Backbone interact. energy: -2.881
local terms energy: -808.889743
where:
bonds (distance) C4'-P energy: -141.407
bonds (distance) P-C4' energy: -153.341
flat angles C4'-P-C4' energy: -159.989
flat angles P-C4'-P energy: -119.153
tors. eta vs tors. theta energy: -235.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2378.614816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.614816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.614816 (E_RNA)
where:
Base-Base interactions energy: -1661.241
where: short stacking energy: -702.028
Base-Backbone interact. energy: -2.724
local terms energy: -714.649732
where:
bonds (distance) C4'-P energy: -146.758
bonds (distance) P-C4' energy: -136.391
flat angles C4'-P-C4' energy: -151.607
flat angles P-C4'-P energy: -87.766
tors. eta vs tors. theta energy: -192.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2107.462264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.462264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.462264 (E_RNA)
where:
Base-Base interactions energy: -1413.981
where: short stacking energy: -605.784
Base-Backbone interact. energy: -1.567
local terms energy: -691.914435
where:
bonds (distance) C4'-P energy: -148.125
bonds (distance) P-C4' energy: -132.041
flat angles C4'-P-C4' energy: -150.891
flat angles P-C4'-P energy: -86.496
tors. eta vs tors. theta energy: -174.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1998.220208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.220208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.220208 (E_RNA)
where:
Base-Base interactions energy: -1382.046
where: short stacking energy: -581.036
Base-Backbone interact. energy: 5.370
local terms energy: -621.544313
where:
bonds (distance) C4'-P energy: -114.684
bonds (distance) P-C4' energy: -112.937
flat angles C4'-P-C4' energy: -141.223
flat angles P-C4'-P energy: -89.382
tors. eta vs tors. theta energy: -163.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1780.440538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.440538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.440538 (E_RNA)
where:
Base-Base interactions energy: -1190.179
where: short stacking energy: -517.201
Base-Backbone interact. energy: -2.336
local terms energy: -587.925591
where:
bonds (distance) C4'-P energy: -101.301
bonds (distance) P-C4' energy: -129.547
flat angles C4'-P-C4' energy: -131.794
flat angles P-C4'-P energy: -97.666
tors. eta vs tors. theta energy: -127.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1451.044507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.044507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.044507 (E_RNA)
where:
Base-Base interactions energy: -912.198
where: short stacking energy: -420.288
Base-Backbone interact. energy: 2.287
local terms energy: -541.134110
where:
bonds (distance) C4'-P energy: -130.170
bonds (distance) P-C4' energy: -128.058
flat angles C4'-P-C4' energy: -121.503
flat angles P-C4'-P energy: -67.307
tors. eta vs tors. theta energy: -94.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1065.017229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.017229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.017229 (E_RNA)
where:
Base-Base interactions energy: -601.502
where: short stacking energy: -307.789
Base-Backbone interact. energy: -3.436
local terms energy: -460.078645
where:
bonds (distance) C4'-P energy: -115.490
bonds (distance) P-C4' energy: -122.297
flat angles C4'-P-C4' energy: -128.315
flat angles P-C4'-P energy: -74.933
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -919.381909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.381909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.381909 (E_RNA)
where:
Base-Base interactions energy: -504.540
where: short stacking energy: -272.142
Base-Backbone interact. energy: 3.328
local terms energy: -418.170224
where:
bonds (distance) C4'-P energy: -107.230
bonds (distance) P-C4' energy: -101.762
flat angles C4'-P-C4' energy: -108.918
flat angles P-C4'-P energy: -81.974
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2633.255506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.255506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.255506 (E_RNA)
where:
Base-Base interactions energy: -1798.824
where: short stacking energy: -780.785
Base-Backbone interact. energy: -4.754
local terms energy: -829.677541
where:
bonds (distance) C4'-P energy: -150.686
bonds (distance) P-C4' energy: -167.197
flat angles C4'-P-C4' energy: -161.625
flat angles P-C4'-P energy: -113.448
tors. eta vs tors. theta energy: -236.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2579.608850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.608850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.608850 (E_RNA)
where:
Base-Base interactions energy: -1781.357
where: short stacking energy: -792.325
Base-Backbone interact. energy: -3.970
local terms energy: -794.282634
where:
bonds (distance) C4'-P energy: -135.558
bonds (distance) P-C4' energy: -139.240
flat angles C4'-P-C4' energy: -161.727
flat angles P-C4'-P energy: -113.964
tors. eta vs tors. theta energy: -243.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2517.562055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.562055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.562055 (E_RNA)
where:
Base-Base interactions energy: -1727.310
where: short stacking energy: -755.512
Base-Backbone interact. energy: -3.484
local terms energy: -786.767790
where:
bonds (distance) C4'-P energy: -156.386
bonds (distance) P-C4' energy: -143.315
flat angles C4'-P-C4' energy: -166.647
flat angles P-C4'-P energy: -93.825
tors. eta vs tors. theta energy: -226.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2371.011619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.011619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.011619 (E_RNA)
where:
Base-Base interactions energy: -1655.148
where: short stacking energy: -700.148
Base-Backbone interact. energy: 0.257
local terms energy: -716.120340
where:
bonds (distance) C4'-P energy: -118.214
bonds (distance) P-C4' energy: -142.949
flat angles C4'-P-C4' energy: -157.471
flat angles P-C4'-P energy: -102.196
tors. eta vs tors. theta energy: -195.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2072.730584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.730584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.730584 (E_RNA)
where:
Base-Base interactions energy: -1384.024
where: short stacking energy: -617.188
Base-Backbone interact. energy: -0.164
local terms energy: -688.542566
where:
bonds (distance) C4'-P energy: -140.377
bonds (distance) P-C4' energy: -146.695
flat angles C4'-P-C4' energy: -143.739
flat angles P-C4'-P energy: -91.326
tors. eta vs tors. theta energy: -166.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2013.374782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.374782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.374782 (E_RNA)
where:
Base-Base interactions energy: -1354.466
where: short stacking energy: -570.181
Base-Backbone interact. energy: -3.669
local terms energy: -655.239454
where:
bonds (distance) C4'-P energy: -132.725
bonds (distance) P-C4' energy: -117.997
flat angles C4'-P-C4' energy: -138.629
flat angles P-C4'-P energy: -105.465
tors. eta vs tors. theta energy: -160.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1740.625095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.625095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.625095 (E_RNA)
where:
Base-Base interactions energy: -1212.130
where: short stacking energy: -536.519
Base-Backbone interact. energy: 1.211
local terms energy: -529.706007
where:
bonds (distance) C4'-P energy: -109.867
bonds (distance) P-C4' energy: -97.679
flat angles C4'-P-C4' energy: -138.583
flat angles P-C4'-P energy: -69.256
tors. eta vs tors. theta energy: -114.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1405.191008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.191008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.191008 (E_RNA)
where:
Base-Base interactions energy: -887.818
where: short stacking energy: -412.650
Base-Backbone interact. energy: 6.592
local terms energy: -523.965416
where:
bonds (distance) C4'-P energy: -121.198
bonds (distance) P-C4' energy: -112.917
flat angles C4'-P-C4' energy: -120.387
flat angles P-C4'-P energy: -78.881
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1117.072412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.072412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.072412 (E_RNA)
where:
Base-Base interactions energy: -643.942
where: short stacking energy: -309.347
Base-Backbone interact. energy: -1.289
local terms energy: -471.841356
where:
bonds (distance) C4'-P energy: -114.328
bonds (distance) P-C4' energy: -149.955
flat angles C4'-P-C4' energy: -100.572
flat angles P-C4'-P energy: -75.349
tors. eta vs tors. theta energy: -31.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -931.281209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.281209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.281209 (E_RNA)
where:
Base-Base interactions energy: -496.801
where: short stacking energy: -248.606
Base-Backbone interact. energy: 3.255
local terms energy: -437.735032
where:
bonds (distance) C4'-P energy: -131.170
bonds (distance) P-C4' energy: -128.951
flat angles C4'-P-C4' energy: -90.366
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -27.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2646.952412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.952412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.952412 (E_RNA)
where:
Base-Base interactions energy: -1819.496
where: short stacking energy: -793.611
Base-Backbone interact. energy: 1.227
local terms energy: -828.683105
where:
bonds (distance) C4'-P energy: -151.033
bonds (distance) P-C4' energy: -154.795
flat angles C4'-P-C4' energy: -176.304
flat angles P-C4'-P energy: -114.271
tors. eta vs tors. theta energy: -232.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2555.416103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.416103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.416103 (E_RNA)
where:
Base-Base interactions energy: -1767.360
where: short stacking energy: -763.134
Base-Backbone interact. energy: -5.095
local terms energy: -782.961550
where:
bonds (distance) C4'-P energy: -131.479
bonds (distance) P-C4' energy: -148.402
flat angles C4'-P-C4' energy: -161.212
flat angles P-C4'-P energy: -101.495
tors. eta vs tors. theta energy: -240.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2532.286445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.286445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.286445 (E_RNA)
where:
Base-Base interactions energy: -1727.702
where: short stacking energy: -741.478
Base-Backbone interact. energy: -3.878
local terms energy: -800.705649
where:
bonds (distance) C4'-P energy: -144.523
bonds (distance) P-C4' energy: -150.466
flat angles C4'-P-C4' energy: -169.109
flat angles P-C4'-P energy: -109.803
tors. eta vs tors. theta energy: -226.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2369.598087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.598087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.598087 (E_RNA)
where:
Base-Base interactions energy: -1659.840
where: short stacking energy: -692.632
Base-Backbone interact. energy: -3.154
local terms energy: -706.603586
where:
bonds (distance) C4'-P energy: -139.157
bonds (distance) P-C4' energy: -138.822
flat angles C4'-P-C4' energy: -150.729
flat angles P-C4'-P energy: -94.225
tors. eta vs tors. theta energy: -183.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2164.178525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.178525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.178525 (E_RNA)
where:
Base-Base interactions energy: -1464.292
where: short stacking energy: -627.184
Base-Backbone interact. energy: -3.029
local terms energy: -696.857959
where:
bonds (distance) C4'-P energy: -131.664
bonds (distance) P-C4' energy: -124.907
flat angles C4'-P-C4' energy: -156.062
flat angles P-C4'-P energy: -105.274
tors. eta vs tors. theta energy: -178.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1952.467360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.467360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.467360 (E_RNA)
where:
Base-Base interactions energy: -1332.764
where: short stacking energy: -577.515
Base-Backbone interact. energy: -2.845
local terms energy: -616.858925
where:
bonds (distance) C4'-P energy: -117.667
bonds (distance) P-C4' energy: -127.019
flat angles C4'-P-C4' energy: -140.081
flat angles P-C4'-P energy: -81.191
tors. eta vs tors. theta energy: -150.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1743.155122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.155122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.155122 (E_RNA)
where:
Base-Base interactions energy: -1153.910
where: short stacking energy: -516.878
Base-Backbone interact. energy: -1.561
local terms energy: -587.684273
where:
bonds (distance) C4'-P energy: -122.581
bonds (distance) P-C4' energy: -102.613
flat angles C4'-P-C4' energy: -145.448
flat angles P-C4'-P energy: -90.517
tors. eta vs tors. theta energy: -126.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1327.448177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.448177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.448177 (E_RNA)
where:
Base-Base interactions energy: -813.451
where: short stacking energy: -358.685
Base-Backbone interact. energy: 1.153
local terms energy: -515.150703
where:
bonds (distance) C4'-P energy: -111.138
bonds (distance) P-C4' energy: -126.872
flat angles C4'-P-C4' energy: -137.745
flat angles P-C4'-P energy: -81.110
tors. eta vs tors. theta energy: -58.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1081.478947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.478947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.478947 (E_RNA)
where:
Base-Base interactions energy: -616.930
where: short stacking energy: -305.359
Base-Backbone interact. energy: -0.857
local terms energy: -463.691449
where:
bonds (distance) C4'-P energy: -103.952
bonds (distance) P-C4' energy: -127.263
flat angles C4'-P-C4' energy: -112.419
flat angles P-C4'-P energy: -86.690
tors. eta vs tors. theta energy: -33.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -910.479422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.479422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.479422 (E_RNA)
where:
Base-Base interactions energy: -534.234
where: short stacking energy: -260.348
Base-Backbone interact. energy: -1.153
local terms energy: -375.091926
where:
bonds (distance) C4'-P energy: -125.007
bonds (distance) P-C4' energy: -101.708
flat angles C4'-P-C4' energy: -93.401
flat angles P-C4'-P energy: -48.870
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2635.377532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.377532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.377532 (E_RNA)
where:
Base-Base interactions energy: -1837.503
where: short stacking energy: -784.178
Base-Backbone interact. energy: -2.764
local terms energy: -795.110698
where:
bonds (distance) C4'-P energy: -148.442
bonds (distance) P-C4' energy: -148.157
flat angles C4'-P-C4' energy: -156.466
flat angles P-C4'-P energy: -104.170
tors. eta vs tors. theta energy: -237.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2530.660513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.660513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.660513 (E_RNA)
where:
Base-Base interactions energy: -1756.822
where: short stacking energy: -785.218
Base-Backbone interact. energy: -2.239
local terms energy: -771.599561
where:
bonds (distance) C4'-P energy: -129.098
bonds (distance) P-C4' energy: -130.951
flat angles C4'-P-C4' energy: -163.242
flat angles P-C4'-P energy: -119.710
tors. eta vs tors. theta energy: -228.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2518.280030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.280030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.280030 (E_RNA)
where:
Base-Base interactions energy: -1771.626
where: short stacking energy: -778.880
Base-Backbone interact. energy: -2.159
local terms energy: -744.494631
where:
bonds (distance) C4'-P energy: -126.463
bonds (distance) P-C4' energy: -118.230
flat angles C4'-P-C4' energy: -160.927
flat angles P-C4'-P energy: -109.540
tors. eta vs tors. theta energy: -229.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2382.740214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.740214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.740214 (E_RNA)
where:
Base-Base interactions energy: -1661.382
where: short stacking energy: -688.297
Base-Backbone interact. energy: 0.529
local terms energy: -721.886817
where:
bonds (distance) C4'-P energy: -151.446
bonds (distance) P-C4' energy: -132.330
flat angles C4'-P-C4' energy: -148.935
flat angles P-C4'-P energy: -102.030
tors. eta vs tors. theta energy: -187.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2122.813523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.813523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.813523 (E_RNA)
where:
Base-Base interactions energy: -1455.880
where: short stacking energy: -636.772
Base-Backbone interact. energy: 0.186
local terms energy: -667.120005
where:
bonds (distance) C4'-P energy: -120.318
bonds (distance) P-C4' energy: -124.102
flat angles C4'-P-C4' energy: -150.422
flat angles P-C4'-P energy: -91.168
tors. eta vs tors. theta energy: -181.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2091.103564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.103564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.103564 (E_RNA)
where:
Base-Base interactions energy: -1431.970
where: short stacking energy: -627.973
Base-Backbone interact. energy: -3.778
local terms energy: -655.354862
where:
bonds (distance) C4'-P energy: -143.587
bonds (distance) P-C4' energy: -126.187
flat angles C4'-P-C4' energy: -137.031
flat angles P-C4'-P energy: -86.705
tors. eta vs tors. theta energy: -161.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1634.027255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.027255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.027255 (E_RNA)
where:
Base-Base interactions energy: -1095.912
where: short stacking energy: -467.464
Base-Backbone interact. energy: -1.714
local terms energy: -536.400909
where:
bonds (distance) C4'-P energy: -96.416
bonds (distance) P-C4' energy: -112.257
flat angles C4'-P-C4' energy: -132.267
flat angles P-C4'-P energy: -78.585
tors. eta vs tors. theta energy: -116.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1413.659655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.659655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.659655 (E_RNA)
where:
Base-Base interactions energy: -880.300
where: short stacking energy: -399.763
Base-Backbone interact. energy: -3.023
local terms energy: -530.336814
where:
bonds (distance) C4'-P energy: -133.801
bonds (distance) P-C4' energy: -122.085
flat angles C4'-P-C4' energy: -112.228
flat angles P-C4'-P energy: -78.245
tors. eta vs tors. theta energy: -83.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1024.357351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.357351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.357351 (E_RNA)
where:
Base-Base interactions energy: -586.909
where: short stacking energy: -284.553
Base-Backbone interact. energy: 8.316
local terms energy: -445.764417
where:
bonds (distance) C4'-P energy: -113.680
bonds (distance) P-C4' energy: -120.435
flat angles C4'-P-C4' energy: -119.923
flat angles P-C4'-P energy: -58.964
tors. eta vs tors. theta energy: -32.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -886.478179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.478179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.478179 (E_RNA)
where:
Base-Base interactions energy: -443.296
where: short stacking energy: -234.201
Base-Backbone interact. energy: 0.578
local terms energy: -443.760235
where:
bonds (distance) C4'-P energy: -124.343
bonds (distance) P-C4' energy: -126.375
flat angles C4'-P-C4' energy: -113.861
flat angles P-C4'-P energy: -75.277
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2627.888745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.888745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.888745 (E_RNA)
where:
Base-Base interactions energy: -1804.357
where: short stacking energy: -779.419
Base-Backbone interact. energy: -0.715
local terms energy: -822.816803
where:
bonds (distance) C4'-P energy: -159.322
bonds (distance) P-C4' energy: -137.913
flat angles C4'-P-C4' energy: -166.202
flat angles P-C4'-P energy: -124.355
tors. eta vs tors. theta energy: -235.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2562.815912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.815912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.815912 (E_RNA)
where:
Base-Base interactions energy: -1773.883
where: short stacking energy: -793.730
Base-Backbone interact. energy: -0.725
local terms energy: -788.208492
where:
bonds (distance) C4'-P energy: -142.074
bonds (distance) P-C4' energy: -135.623
flat angles C4'-P-C4' energy: -164.126
flat angles P-C4'-P energy: -109.594
tors. eta vs tors. theta energy: -236.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2540.071286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.071286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.071286 (E_RNA)
where:
Base-Base interactions energy: -1750.529
where: short stacking energy: -772.532
Base-Backbone interact. energy: -0.332
local terms energy: -789.210007
where:
bonds (distance) C4'-P energy: -139.167
bonds (distance) P-C4' energy: -148.447
flat angles C4'-P-C4' energy: -154.505
flat angles P-C4'-P energy: -111.825
tors. eta vs tors. theta energy: -235.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2369.509071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.509071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.509071 (E_RNA)
where:
Base-Base interactions energy: -1645.705
where: short stacking energy: -702.162
Base-Backbone interact. energy: 0.437
local terms energy: -724.240833
where:
bonds (distance) C4'-P energy: -127.634
bonds (distance) P-C4' energy: -147.278
flat angles C4'-P-C4' energy: -165.785
flat angles P-C4'-P energy: -89.919
tors. eta vs tors. theta energy: -193.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2101.972500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.972500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.972500 (E_RNA)
where:
Base-Base interactions energy: -1434.276
where: short stacking energy: -615.284
Base-Backbone interact. energy: 0.228
local terms energy: -667.924879
where:
bonds (distance) C4'-P energy: -117.248
bonds (distance) P-C4' energy: -146.115
flat angles C4'-P-C4' energy: -142.211
flat angles P-C4'-P energy: -99.339
tors. eta vs tors. theta energy: -163.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2014.291151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.291151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.291151 (E_RNA)
where:
Base-Base interactions energy: -1356.155
where: short stacking energy: -611.673
Base-Backbone interact. energy: -1.721
local terms energy: -656.415665
where:
bonds (distance) C4'-P energy: -132.895
bonds (distance) P-C4' energy: -120.480
flat angles C4'-P-C4' energy: -149.316
flat angles P-C4'-P energy: -87.029
tors. eta vs tors. theta energy: -166.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1605.394334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.394334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.394334 (E_RNA)
where:
Base-Base interactions energy: -1047.972
where: short stacking energy: -455.130
Base-Backbone interact. energy: 0.382
local terms energy: -557.803721
where:
bonds (distance) C4'-P energy: -127.104
bonds (distance) P-C4' energy: -137.654
flat angles C4'-P-C4' energy: -123.425
flat angles P-C4'-P energy: -78.759
tors. eta vs tors. theta energy: -90.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1315.394458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.394458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.394458 (E_RNA)
where:
Base-Base interactions energy: -811.875
where: short stacking energy: -394.015
Base-Backbone interact. energy: -4.704
local terms energy: -498.815061
where:
bonds (distance) C4'-P energy: -117.452
bonds (distance) P-C4' energy: -127.427
flat angles C4'-P-C4' energy: -102.186
flat angles P-C4'-P energy: -73.152
tors. eta vs tors. theta energy: -78.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -986.909683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.909683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.909683 (E_RNA)
where:
Base-Base interactions energy: -550.440
where: short stacking energy: -271.503
Base-Backbone interact. energy: 4.692
local terms energy: -441.162014
where:
bonds (distance) C4'-P energy: -109.578
bonds (distance) P-C4' energy: -127.383
flat angles C4'-P-C4' energy: -116.892
flat angles P-C4'-P energy: -71.540
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -811.615940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.615940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.615940 (E_RNA)
where:
Base-Base interactions energy: -433.766
where: short stacking energy: -251.986
Base-Backbone interact. energy: 10.107
local terms energy: -387.956769
where:
bonds (distance) C4'-P energy: -116.311
bonds (distance) P-C4' energy: -120.240
flat angles C4'-P-C4' energy: -97.344
flat angles P-C4'-P energy: -52.548
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2659.291338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.291338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.291338 (E_RNA)
where:
Base-Base interactions energy: -1832.781
where: short stacking energy: -778.660
Base-Backbone interact. energy: -3.805
local terms energy: -822.705928
where:
bonds (distance) C4'-P energy: -137.128
bonds (distance) P-C4' energy: -149.448
flat angles C4'-P-C4' energy: -173.895
flat angles P-C4'-P energy: -121.799
tors. eta vs tors. theta energy: -240.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2579.801220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.801220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.801220 (E_RNA)
where:
Base-Base interactions energy: -1781.500
where: short stacking energy: -787.570
Base-Backbone interact. energy: -1.719
local terms energy: -796.582337
where:
bonds (distance) C4'-P energy: -132.473
bonds (distance) P-C4' energy: -151.508
flat angles C4'-P-C4' energy: -171.664
flat angles P-C4'-P energy: -102.790
tors. eta vs tors. theta energy: -238.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2508.845783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.845783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.845783 (E_RNA)
where:
Base-Base interactions energy: -1725.906
where: short stacking energy: -752.315
Base-Backbone interact. energy: -4.507
local terms energy: -778.433176
where:
bonds (distance) C4'-P energy: -123.853
bonds (distance) P-C4' energy: -141.596
flat angles C4'-P-C4' energy: -169.771
flat angles P-C4'-P energy: -115.694
tors. eta vs tors. theta energy: -227.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2392.143009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.143009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.143009 (E_RNA)
where:
Base-Base interactions energy: -1676.358
where: short stacking energy: -712.176
Base-Backbone interact. energy: -6.079
local terms energy: -709.706014
where:
bonds (distance) C4'-P energy: -125.387
bonds (distance) P-C4' energy: -130.944
flat angles C4'-P-C4' energy: -150.750
flat angles P-C4'-P energy: -110.917
tors. eta vs tors. theta energy: -191.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2104.494714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.494714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.494714 (E_RNA)
where:
Base-Base interactions energy: -1441.191
where: short stacking energy: -604.536
Base-Backbone interact. energy: -1.438
local terms energy: -661.865808
where:
bonds (distance) C4'-P energy: -120.412
bonds (distance) P-C4' energy: -137.154
flat angles C4'-P-C4' energy: -145.280
flat angles P-C4'-P energy: -93.264
tors. eta vs tors. theta energy: -165.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1983.486314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.486314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.486314 (E_RNA)
where:
Base-Base interactions energy: -1380.119
where: short stacking energy: -564.485
Base-Backbone interact. energy: 1.130
local terms energy: -604.497520
where:
bonds (distance) C4'-P energy: -113.557
bonds (distance) P-C4' energy: -103.017
flat angles C4'-P-C4' energy: -152.978
flat angles P-C4'-P energy: -94.649
tors. eta vs tors. theta energy: -140.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1589.083004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.083004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.083004 (E_RNA)
where:
Base-Base interactions energy: -1054.437
where: short stacking energy: -495.919
Base-Backbone interact. energy: -2.758
local terms energy: -531.888694
where:
bonds (distance) C4'-P energy: -114.928
bonds (distance) P-C4' energy: -108.602
flat angles C4'-P-C4' energy: -136.829
flat angles P-C4'-P energy: -66.137
tors. eta vs tors. theta energy: -105.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1333.570175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.570175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.570175 (E_RNA)
where:
Base-Base interactions energy: -818.283
where: short stacking energy: -395.215
Base-Backbone interact. energy: -1.276
local terms energy: -514.011121
where:
bonds (distance) C4'-P energy: -119.916
bonds (distance) P-C4' energy: -120.411
flat angles C4'-P-C4' energy: -124.352
flat angles P-C4'-P energy: -74.948
tors. eta vs tors. theta energy: -74.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1028.711698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.711698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.711698 (E_RNA)
where:
Base-Base interactions energy: -608.545
where: short stacking energy: -297.460
Base-Backbone interact. energy: 1.462
local terms energy: -421.629233
where:
bonds (distance) C4'-P energy: -115.194
bonds (distance) P-C4' energy: -105.992
flat angles C4'-P-C4' energy: -118.668
flat angles P-C4'-P energy: -66.549
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -814.651719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.651719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.651719 (E_RNA)
where:
Base-Base interactions energy: -421.299
where: short stacking energy: -243.579
Base-Backbone interact. energy: 6.332
local terms energy: -399.684604
where:
bonds (distance) C4'-P energy: -128.412
bonds (distance) P-C4' energy: -131.674
flat angles C4'-P-C4' energy: -92.642
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2655.047160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.047160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.047160 (E_RNA)
where:
Base-Base interactions energy: -1846.914
where: short stacking energy: -767.906
Base-Backbone interact. energy: -2.570
local terms energy: -805.563889
where:
bonds (distance) C4'-P energy: -141.805
bonds (distance) P-C4' energy: -143.473
flat angles C4'-P-C4' energy: -169.665
flat angles P-C4'-P energy: -114.317
tors. eta vs tors. theta energy: -236.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2571.130243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.130243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.130243 (E_RNA)
where:
Base-Base interactions energy: -1756.459
where: short stacking energy: -769.448
Base-Backbone interact. energy: -0.355
local terms energy: -814.315684
where:
bonds (distance) C4'-P energy: -154.303
bonds (distance) P-C4' energy: -145.018
flat angles C4'-P-C4' energy: -161.766
flat angles P-C4'-P energy: -115.777
tors. eta vs tors. theta energy: -237.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2503.383778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.383778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.383778 (E_RNA)
where:
Base-Base interactions energy: -1741.493
where: short stacking energy: -748.106
Base-Backbone interact. energy: -2.566
local terms energy: -759.325136
where:
bonds (distance) C4'-P energy: -122.986
bonds (distance) P-C4' energy: -150.712
flat angles C4'-P-C4' energy: -163.171
flat angles P-C4'-P energy: -104.155
tors. eta vs tors. theta energy: -218.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2349.544666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.544666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.544666 (E_RNA)
where:
Base-Base interactions energy: -1667.573
where: short stacking energy: -698.392
Base-Backbone interact. energy: 1.560
local terms energy: -683.531609
where:
bonds (distance) C4'-P energy: -124.297
bonds (distance) P-C4' energy: -131.220
flat angles C4'-P-C4' energy: -147.762
flat angles P-C4'-P energy: -96.734
tors. eta vs tors. theta energy: -183.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2089.066288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.066288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.066288 (E_RNA)
where:
Base-Base interactions energy: -1461.572
where: short stacking energy: -624.712
Base-Backbone interact. energy: -0.584
local terms energy: -626.911054
where:
bonds (distance) C4'-P energy: -111.281
bonds (distance) P-C4' energy: -121.860
flat angles C4'-P-C4' energy: -147.930
flat angles P-C4'-P energy: -81.432
tors. eta vs tors. theta energy: -164.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2048.270694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.270694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.270694 (E_RNA)
where:
Base-Base interactions energy: -1435.292
where: short stacking energy: -606.478
Base-Backbone interact. energy: 0.011
local terms energy: -612.988819
where:
bonds (distance) C4'-P energy: -111.975
bonds (distance) P-C4' energy: -117.026
flat angles C4'-P-C4' energy: -150.630
flat angles P-C4'-P energy: -87.027
tors. eta vs tors. theta energy: -146.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1559.691181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.691181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.691181 (E_RNA)
where:
Base-Base interactions energy: -987.539
where: short stacking energy: -467.291
Base-Backbone interact. energy: -1.103
local terms energy: -571.049650
where:
bonds (distance) C4'-P energy: -123.297
bonds (distance) P-C4' energy: -126.337
flat angles C4'-P-C4' energy: -128.474
flat angles P-C4'-P energy: -81.028
tors. eta vs tors. theta energy: -111.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1313.496347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.496347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.496347 (E_RNA)
where:
Base-Base interactions energy: -806.379
where: short stacking energy: -364.632
Base-Backbone interact. energy: -2.812
local terms energy: -504.305495
where:
bonds (distance) C4'-P energy: -123.809
bonds (distance) P-C4' energy: -129.835
flat angles C4'-P-C4' energy: -117.247
flat angles P-C4'-P energy: -74.281
tors. eta vs tors. theta energy: -59.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1103.052696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.052696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.052696 (E_RNA)
where:
Base-Base interactions energy: -671.661
where: short stacking energy: -321.840
Base-Backbone interact. energy: -2.613
local terms energy: -428.777890
where:
bonds (distance) C4'-P energy: -100.367
bonds (distance) P-C4' energy: -121.223
flat angles C4'-P-C4' energy: -109.548
flat angles P-C4'-P energy: -60.086
tors. eta vs tors. theta energy: -37.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -722.565898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.565898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.565898 (E_RNA)
where:
Base-Base interactions energy: -386.157
where: short stacking energy: -212.590
Base-Backbone interact. energy: -0.514
local terms energy: -335.894673
where:
bonds (distance) C4'-P energy: -97.096
bonds (distance) P-C4' energy: -120.486
flat angles C4'-P-C4' energy: -69.394
flat angles P-C4'-P energy: -57.909
tors. eta vs tors. theta energy: 8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2652.658002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.658002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.658002 (E_RNA)
where:
Base-Base interactions energy: -1850.611
where: short stacking energy: -800.784
Base-Backbone interact. energy: 0.960
local terms energy: -803.007426
where:
bonds (distance) C4'-P energy: -136.207
bonds (distance) P-C4' energy: -145.751
flat angles C4'-P-C4' energy: -160.296
flat angles P-C4'-P energy: -123.823
tors. eta vs tors. theta energy: -236.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2569.910405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.910405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.910405 (E_RNA)
where:
Base-Base interactions energy: -1764.979
where: short stacking energy: -792.226
Base-Backbone interact. energy: -1.048
local terms energy: -803.883823
where:
bonds (distance) C4'-P energy: -128.863
bonds (distance) P-C4' energy: -141.902
flat angles C4'-P-C4' energy: -173.154
flat angles P-C4'-P energy: -117.778
tors. eta vs tors. theta energy: -242.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2525.197479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.197479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.197479 (E_RNA)
where:
Base-Base interactions energy: -1745.031
where: short stacking energy: -762.549
Base-Backbone interact. energy: -1.428
local terms energy: -778.738297
where:
bonds (distance) C4'-P energy: -142.823
bonds (distance) P-C4' energy: -132.832
flat angles C4'-P-C4' energy: -162.875
flat angles P-C4'-P energy: -99.193
tors. eta vs tors. theta energy: -241.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2355.134113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.134113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.134113 (E_RNA)
where:
Base-Base interactions energy: -1621.854
where: short stacking energy: -671.931
Base-Backbone interact. energy: 0.093
local terms energy: -733.372901
where:
bonds (distance) C4'-P energy: -137.126
bonds (distance) P-C4' energy: -141.349
flat angles C4'-P-C4' energy: -161.818
flat angles P-C4'-P energy: -113.803
tors. eta vs tors. theta energy: -179.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2137.616136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.616136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.616136 (E_RNA)
where:
Base-Base interactions energy: -1447.665
where: short stacking energy: -617.354
Base-Backbone interact. energy: -0.755
local terms energy: -689.195775
where:
bonds (distance) C4'-P energy: -131.017
bonds (distance) P-C4' energy: -140.955
flat angles C4'-P-C4' energy: -148.259
flat angles P-C4'-P energy: -96.436
tors. eta vs tors. theta energy: -172.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1994.441530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.441530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.441530 (E_RNA)
where:
Base-Base interactions energy: -1322.689
where: short stacking energy: -581.049
Base-Backbone interact. energy: -0.482
local terms energy: -671.270746
where:
bonds (distance) C4'-P energy: -129.207
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -157.716
flat angles P-C4'-P energy: -83.654
tors. eta vs tors. theta energy: -166.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1592.561158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.561158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.561158 (E_RNA)
where:
Base-Base interactions energy: -1029.180
where: short stacking energy: -487.638
Base-Backbone interact. energy: -3.737
local terms energy: -559.644215
where:
bonds (distance) C4'-P energy: -97.582
bonds (distance) P-C4' energy: -128.265
flat angles C4'-P-C4' energy: -137.095
flat angles P-C4'-P energy: -78.127
tors. eta vs tors. theta energy: -118.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1328.176838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.176838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.176838 (E_RNA)
where:
Base-Base interactions energy: -789.042
where: short stacking energy: -396.598
Base-Backbone interact. energy: -1.032
local terms energy: -538.103098
where:
bonds (distance) C4'-P energy: -110.908
bonds (distance) P-C4' energy: -117.711
flat angles C4'-P-C4' energy: -141.607
flat angles P-C4'-P energy: -78.621
tors. eta vs tors. theta energy: -89.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1088.850849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.850849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.850849 (E_RNA)
where:
Base-Base interactions energy: -656.368
where: short stacking energy: -317.565
Base-Backbone interact. energy: -0.176
local terms energy: -432.306957
where:
bonds (distance) C4'-P energy: -120.580
bonds (distance) P-C4' energy: -118.449
flat angles C4'-P-C4' energy: -104.444
flat angles P-C4'-P energy: -79.668
tors. eta vs tors. theta energy: -9.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -795.920766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.920766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.920766 (E_RNA)
where:
Base-Base interactions energy: -412.208
where: short stacking energy: -215.734
Base-Backbone interact. energy: -1.106
local terms energy: -382.607273
where:
bonds (distance) C4'-P energy: -111.768
bonds (distance) P-C4' energy: -117.341
flat angles C4'-P-C4' energy: -102.356
flat angles P-C4'-P energy: -54.458
tors. eta vs tors. theta energy: 3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2658.520389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.520389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.520389 (E_RNA)
where:
Base-Base interactions energy: -1869.671
where: short stacking energy: -801.456
Base-Backbone interact. energy: -4.065
local terms energy: -784.784617
where:
bonds (distance) C4'-P energy: -152.867
bonds (distance) P-C4' energy: -135.972
flat angles C4'-P-C4' energy: -165.595
flat angles P-C4'-P energy: -92.090
tors. eta vs tors. theta energy: -238.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2590.129636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.129636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.129636 (E_RNA)
where:
Base-Base interactions energy: -1770.952
where: short stacking energy: -807.074
Base-Backbone interact. energy: -1.178
local terms energy: -817.998687
where:
bonds (distance) C4'-P energy: -147.730
bonds (distance) P-C4' energy: -152.266
flat angles C4'-P-C4' energy: -161.361
flat angles P-C4'-P energy: -115.438
tors. eta vs tors. theta energy: -241.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2492.999373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.999373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.999373 (E_RNA)
where:
Base-Base interactions energy: -1701.226
where: short stacking energy: -744.447
Base-Backbone interact. energy: -1.574
local terms energy: -790.199648
where:
bonds (distance) C4'-P energy: -144.231
bonds (distance) P-C4' energy: -128.474
flat angles C4'-P-C4' energy: -164.598
flat angles P-C4'-P energy: -113.721
tors. eta vs tors. theta energy: -239.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2346.415336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.415336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.415336 (E_RNA)
where:
Base-Base interactions energy: -1644.753
where: short stacking energy: -671.384
Base-Backbone interact. energy: -0.360
local terms energy: -701.302235
where:
bonds (distance) C4'-P energy: -110.059
bonds (distance) P-C4' energy: -139.037
flat angles C4'-P-C4' energy: -160.362
flat angles P-C4'-P energy: -100.808
tors. eta vs tors. theta energy: -191.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2138.733341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.733341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.733341 (E_RNA)
where:
Base-Base interactions energy: -1475.288
where: short stacking energy: -590.740
Base-Backbone interact. energy: -4.364
local terms energy: -659.082006
where:
bonds (distance) C4'-P energy: -139.393
bonds (distance) P-C4' energy: -124.889
flat angles C4'-P-C4' energy: -148.117
flat angles P-C4'-P energy: -86.176
tors. eta vs tors. theta energy: -160.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2009.947461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.947461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.947461 (E_RNA)
where:
Base-Base interactions energy: -1379.870
where: short stacking energy: -613.347
Base-Backbone interact. energy: -2.939
local terms energy: -627.138390
where:
bonds (distance) C4'-P energy: -132.931
bonds (distance) P-C4' energy: -113.077
flat angles C4'-P-C4' energy: -138.375
flat angles P-C4'-P energy: -83.653
tors. eta vs tors. theta energy: -159.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1603.117162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.117162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.117162 (E_RNA)
where:
Base-Base interactions energy: -1038.939
where: short stacking energy: -523.411
Base-Backbone interact. energy: 1.713
local terms energy: -565.890947
where:
bonds (distance) C4'-P energy: -118.876
bonds (distance) P-C4' energy: -118.662
flat angles C4'-P-C4' energy: -137.251
flat angles P-C4'-P energy: -71.800
tors. eta vs tors. theta energy: -119.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1123.353496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.353496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.353496 (E_RNA)
where:
Base-Base interactions energy: -638.098
where: short stacking energy: -345.861
Base-Backbone interact. energy: -1.894
local terms energy: -483.361169
where:
bonds (distance) C4'-P energy: -125.548
bonds (distance) P-C4' energy: -112.697
flat angles C4'-P-C4' energy: -120.254
flat angles P-C4'-P energy: -75.582
tors. eta vs tors. theta energy: -49.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1139.693865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.693865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.693865 (E_RNA)
where:
Base-Base interactions energy: -684.772
where: short stacking energy: -358.397
Base-Backbone interact. energy: -1.406
local terms energy: -453.515933
where:
bonds (distance) C4'-P energy: -97.457
bonds (distance) P-C4' energy: -124.633
flat angles C4'-P-C4' energy: -97.049
flat angles P-C4'-P energy: -74.670
tors. eta vs tors. theta energy: -59.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -875.471165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.471165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.471165 (E_RNA)
where:
Base-Base interactions energy: -499.801
where: short stacking energy: -273.753
Base-Backbone interact. energy: 7.263
local terms energy: -382.933846
where:
bonds (distance) C4'-P energy: -103.268
bonds (distance) P-C4' energy: -123.831
flat angles C4'-P-C4' energy: -103.197
flat angles P-C4'-P energy: -50.756
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2631.194836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.194836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.194836 (E_RNA)
where:
Base-Base interactions energy: -1823.975
where: short stacking energy: -786.016
Base-Backbone interact. energy: -3.370
local terms energy: -803.848891
where:
bonds (distance) C4'-P energy: -136.153
bonds (distance) P-C4' energy: -150.229
flat angles C4'-P-C4' energy: -169.976
flat angles P-C4'-P energy: -111.942
tors. eta vs tors. theta energy: -235.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2574.254804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.254804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.254804 (E_RNA)
where:
Base-Base interactions energy: -1757.562
where: short stacking energy: -789.657
Base-Backbone interact. energy: -4.518
local terms energy: -812.174892
where:
bonds (distance) C4'-P energy: -150.300
bonds (distance) P-C4' energy: -139.217
flat angles C4'-P-C4' energy: -175.499
flat angles P-C4'-P energy: -110.607
tors. eta vs tors. theta energy: -236.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2538.423066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.423066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.423066 (E_RNA)
where:
Base-Base interactions energy: -1764.131
where: short stacking energy: -768.204
Base-Backbone interact. energy: -2.039
local terms energy: -772.252900
where:
bonds (distance) C4'-P energy: -139.547
bonds (distance) P-C4' energy: -124.682
flat angles C4'-P-C4' energy: -158.996
flat angles P-C4'-P energy: -114.093
tors. eta vs tors. theta energy: -234.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2368.440034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.440034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.440034 (E_RNA)
where:
Base-Base interactions energy: -1654.342
where: short stacking energy: -695.045
Base-Backbone interact. energy: -2.353
local terms energy: -711.745731
where:
bonds (distance) C4'-P energy: -121.068
bonds (distance) P-C4' energy: -142.223
flat angles C4'-P-C4' energy: -147.848
flat angles P-C4'-P energy: -121.834
tors. eta vs tors. theta energy: -178.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2115.821296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.821296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.821296 (E_RNA)
where:
Base-Base interactions energy: -1425.489
where: short stacking energy: -637.890
Base-Backbone interact. energy: -2.605
local terms energy: -687.727227
where:
bonds (distance) C4'-P energy: -140.478
bonds (distance) P-C4' energy: -134.920
flat angles C4'-P-C4' energy: -149.507
flat angles P-C4'-P energy: -92.244
tors. eta vs tors. theta energy: -170.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2065.952686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.952686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.952686 (E_RNA)
where:
Base-Base interactions energy: -1417.480
where: short stacking energy: -575.021
Base-Backbone interact. energy: 0.100
local terms energy: -648.573001
where:
bonds (distance) C4'-P energy: -103.648
bonds (distance) P-C4' energy: -127.207
flat angles C4'-P-C4' energy: -131.303
flat angles P-C4'-P energy: -121.081
tors. eta vs tors. theta energy: -165.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1612.515830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.515830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.515830 (E_RNA)
where:
Base-Base interactions energy: -1012.458
where: short stacking energy: -491.440
Base-Backbone interact. energy: -2.717
local terms energy: -597.341085
where:
bonds (distance) C4'-P energy: -110.032
bonds (distance) P-C4' energy: -138.640
flat angles C4'-P-C4' energy: -145.531
flat angles P-C4'-P energy: -97.509
tors. eta vs tors. theta energy: -105.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1186.607945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.607945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.607945 (E_RNA)
where:
Base-Base interactions energy: -705.037
where: short stacking energy: -354.028
Base-Backbone interact. energy: 0.033
local terms energy: -481.603284
where:
bonds (distance) C4'-P energy: -111.476
bonds (distance) P-C4' energy: -121.031
flat angles C4'-P-C4' energy: -117.353
flat angles P-C4'-P energy: -67.821
tors. eta vs tors. theta energy: -63.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1073.092775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.092775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.092775 (E_RNA)
where:
Base-Base interactions energy: -616.009
where: short stacking energy: -297.210
Base-Backbone interact. energy: -0.228
local terms energy: -456.855802
where:
bonds (distance) C4'-P energy: -118.174
bonds (distance) P-C4' energy: -113.217
flat angles C4'-P-C4' energy: -107.558
flat angles P-C4'-P energy: -73.360
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -833.471070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.471070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.471070 (E_RNA)
where:
Base-Base interactions energy: -411.168
where: short stacking energy: -238.175
Base-Backbone interact. energy: -0.484
local terms energy: -421.819209
where:
bonds (distance) C4'-P energy: -113.104
bonds (distance) P-C4' energy: -128.636
flat angles C4'-P-C4' energy: -98.924
flat angles P-C4'-P energy: -75.402
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2612.492368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.492368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.492368 (E_RNA)
where:
Base-Base interactions energy: -1808.578
where: short stacking energy: -772.930
Base-Backbone interact. energy: -0.496
local terms energy: -803.418317
where:
bonds (distance) C4'-P energy: -135.143
bonds (distance) P-C4' energy: -145.427
flat angles C4'-P-C4' energy: -173.850
flat angles P-C4'-P energy: -114.758
tors. eta vs tors. theta energy: -234.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2590.698314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.698314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.698314 (E_RNA)
where:
Base-Base interactions energy: -1789.564
where: short stacking energy: -776.880
Base-Backbone interact. energy: -1.740
local terms energy: -799.394256
where:
bonds (distance) C4'-P energy: -134.724
bonds (distance) P-C4' energy: -150.466
flat angles C4'-P-C4' energy: -166.071
flat angles P-C4'-P energy: -107.205
tors. eta vs tors. theta energy: -240.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2514.968725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.968725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.968725 (E_RNA)
where:
Base-Base interactions energy: -1722.733
where: short stacking energy: -754.556
Base-Backbone interact. energy: -1.255
local terms energy: -790.980443
where:
bonds (distance) C4'-P energy: -140.558
bonds (distance) P-C4' energy: -135.450
flat angles C4'-P-C4' energy: -165.969
flat angles P-C4'-P energy: -110.140
tors. eta vs tors. theta energy: -238.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2320.739215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.739215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.739215 (E_RNA)
where:
Base-Base interactions energy: -1625.161
where: short stacking energy: -669.204
Base-Backbone interact. energy: 2.591
local terms energy: -698.169283
where:
bonds (distance) C4'-P energy: -144.882
bonds (distance) P-C4' energy: -127.198
flat angles C4'-P-C4' energy: -153.738
flat angles P-C4'-P energy: -99.907
tors. eta vs tors. theta energy: -172.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2087.740843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.740843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.740843 (E_RNA)
where:
Base-Base interactions energy: -1417.180
where: short stacking energy: -590.529
Base-Backbone interact. energy: -0.884
local terms energy: -669.676403
where:
bonds (distance) C4'-P energy: -110.546
bonds (distance) P-C4' energy: -143.093
flat angles C4'-P-C4' energy: -156.383
flat angles P-C4'-P energy: -92.985
tors. eta vs tors. theta energy: -166.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1997.207897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.207897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.207897 (E_RNA)
where:
Base-Base interactions energy: -1350.854
where: short stacking energy: -554.409
Base-Backbone interact. energy: -1.210
local terms energy: -645.143553
where:
bonds (distance) C4'-P energy: -123.705
bonds (distance) P-C4' energy: -128.221
flat angles C4'-P-C4' energy: -134.914
flat angles P-C4'-P energy: -107.490
tors. eta vs tors. theta energy: -150.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1511.274005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.274005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.274005 (E_RNA)
where:
Base-Base interactions energy: -972.738
where: short stacking energy: -423.274
Base-Backbone interact. energy: -2.901
local terms energy: -535.634487
where:
bonds (distance) C4'-P energy: -135.854
bonds (distance) P-C4' energy: -121.830
flat angles C4'-P-C4' energy: -134.210
flat angles P-C4'-P energy: -72.334
tors. eta vs tors. theta energy: -71.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1198.087491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.087491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.087491 (E_RNA)
where:
Base-Base interactions energy: -722.993
where: short stacking energy: -361.529
Base-Backbone interact. energy: 1.250
local terms energy: -476.345365
where:
bonds (distance) C4'-P energy: -106.927
bonds (distance) P-C4' energy: -113.135
flat angles C4'-P-C4' energy: -130.505
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -63.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1178.123497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.123497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.123497 (E_RNA)
where:
Base-Base interactions energy: -697.693
where: short stacking energy: -359.043
Base-Backbone interact. energy: -0.936
local terms energy: -479.494732
where:
bonds (distance) C4'-P energy: -126.026
bonds (distance) P-C4' energy: -118.368
flat angles C4'-P-C4' energy: -106.099
flat angles P-C4'-P energy: -82.160
tors. eta vs tors. theta energy: -46.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -866.626115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.626115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.626115 (E_RNA)
where:
Base-Base interactions energy: -444.175
where: short stacking energy: -281.914
Base-Backbone interact. energy: 3.282
local terms energy: -425.732874
where:
bonds (distance) C4'-P energy: -116.474
bonds (distance) P-C4' energy: -108.023
flat angles C4'-P-C4' energy: -102.609
flat angles P-C4'-P energy: -69.468
tors. eta vs tors. theta energy: -29.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2671.634462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.634462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.634462 (E_RNA)
where:
Base-Base interactions energy: -1842.075
where: short stacking energy: -789.644
Base-Backbone interact. energy: -0.293
local terms energy: -829.267315
where:
bonds (distance) C4'-P energy: -144.967
bonds (distance) P-C4' energy: -149.119
flat angles C4'-P-C4' energy: -173.446
flat angles P-C4'-P energy: -125.344
tors. eta vs tors. theta energy: -236.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2596.247298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.247298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.247298 (E_RNA)
where:
Base-Base interactions energy: -1827.820
where: short stacking energy: -770.809
Base-Backbone interact. energy: 0.480
local terms energy: -768.907064
where:
bonds (distance) C4'-P energy: -146.175
bonds (distance) P-C4' energy: -131.866
flat angles C4'-P-C4' energy: -166.807
flat angles P-C4'-P energy: -98.286
tors. eta vs tors. theta energy: -225.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2496.852442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.852442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.852442 (E_RNA)
where:
Base-Base interactions energy: -1719.325
where: short stacking energy: -731.158
Base-Backbone interact. energy: -0.579
local terms energy: -776.948072
where:
bonds (distance) C4'-P energy: -138.193
bonds (distance) P-C4' energy: -140.505
flat angles C4'-P-C4' energy: -155.668
flat angles P-C4'-P energy: -119.623
tors. eta vs tors. theta energy: -222.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2358.534773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.534773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.534773 (E_RNA)
where:
Base-Base interactions energy: -1684.743
where: short stacking energy: -702.383
Base-Backbone interact. energy: 0.168
local terms energy: -673.959744
where:
bonds (distance) C4'-P energy: -125.498
bonds (distance) P-C4' energy: -115.617
flat angles C4'-P-C4' energy: -155.177
flat angles P-C4'-P energy: -94.339
tors. eta vs tors. theta energy: -183.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2099.926074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.926074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.926074 (E_RNA)
where:
Base-Base interactions energy: -1442.832
where: short stacking energy: -624.380
Base-Backbone interact. energy: -0.741
local terms energy: -656.353074
where:
bonds (distance) C4'-P energy: -112.820
bonds (distance) P-C4' energy: -128.100
flat angles C4'-P-C4' energy: -155.157
flat angles P-C4'-P energy: -87.415
tors. eta vs tors. theta energy: -172.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2100.923762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.923762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.923762 (E_RNA)
where:
Base-Base interactions energy: -1396.870
where: short stacking energy: -608.580
Base-Backbone interact. energy: -4.191
local terms energy: -699.862923
where:
bonds (distance) C4'-P energy: -125.876
bonds (distance) P-C4' energy: -135.370
flat angles C4'-P-C4' energy: -153.374
flat angles P-C4'-P energy: -104.295
tors. eta vs tors. theta energy: -180.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1472.303840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.303840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.303840 (E_RNA)
where:
Base-Base interactions energy: -927.139
where: short stacking energy: -420.860
Base-Backbone interact. energy: -2.123
local terms energy: -543.042270
where:
bonds (distance) C4'-P energy: -126.167
bonds (distance) P-C4' energy: -116.122
flat angles C4'-P-C4' energy: -124.913
flat angles P-C4'-P energy: -81.082
tors. eta vs tors. theta energy: -94.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1181.394531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.394531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.394531 (E_RNA)
where:
Base-Base interactions energy: -714.748
where: short stacking energy: -346.821
Base-Backbone interact. energy: -1.073
local terms energy: -465.573917
where:
bonds (distance) C4'-P energy: -130.018
bonds (distance) P-C4' energy: -97.832
flat angles C4'-P-C4' energy: -116.663
flat angles P-C4'-P energy: -76.519
tors. eta vs tors. theta energy: -44.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1156.547126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.547126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.547126 (E_RNA)
where:
Base-Base interactions energy: -681.863
where: short stacking energy: -330.471
Base-Backbone interact. energy: -1.169
local terms energy: -473.515570
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -111.235
flat angles C4'-P-C4' energy: -122.659
flat angles P-C4'-P energy: -78.614
tors. eta vs tors. theta energy: -40.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -867.961919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.961919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.961919 (E_RNA)
where:
Base-Base interactions energy: -442.850
where: short stacking energy: -252.699
Base-Backbone interact. energy: -3.547
local terms energy: -421.564125
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -135.010
flat angles C4'-P-C4' energy: -90.965
flat angles P-C4'-P energy: -84.511
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2656.005168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.005168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.005168 (E_RNA)
where:
Base-Base interactions energy: -1824.717
where: short stacking energy: -800.343
Base-Backbone interact. energy: -4.507
local terms energy: -826.780931
where:
bonds (distance) C4'-P energy: -163.708
bonds (distance) P-C4' energy: -146.724
flat angles C4'-P-C4' energy: -164.732
flat angles P-C4'-P energy: -109.154
tors. eta vs tors. theta energy: -242.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2593.279490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.279490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.279490 (E_RNA)
where:
Base-Base interactions energy: -1788.973
where: short stacking energy: -777.506
Base-Backbone interact. energy: 0.800
local terms energy: -805.106103
where:
bonds (distance) C4'-P energy: -136.785
bonds (distance) P-C4' energy: -154.602
flat angles C4'-P-C4' energy: -165.401
flat angles P-C4'-P energy: -114.605
tors. eta vs tors. theta energy: -233.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2494.273446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.273446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.273446 (E_RNA)
where:
Base-Base interactions energy: -1705.906
where: short stacking energy: -776.618
Base-Backbone interact. energy: -2.824
local terms energy: -785.543509
where:
bonds (distance) C4'-P energy: -139.589
bonds (distance) P-C4' energy: -147.418
flat angles C4'-P-C4' energy: -162.452
flat angles P-C4'-P energy: -103.228
tors. eta vs tors. theta energy: -232.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2360.380894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.380894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.380894 (E_RNA)
where:
Base-Base interactions energy: -1649.602
where: short stacking energy: -712.384
Base-Backbone interact. energy: 3.103
local terms energy: -713.882041
where:
bonds (distance) C4'-P energy: -130.019
bonds (distance) P-C4' energy: -134.888
flat angles C4'-P-C4' energy: -152.620
flat angles P-C4'-P energy: -101.989
tors. eta vs tors. theta energy: -194.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2119.587606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.587606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.587606 (E_RNA)
where:
Base-Base interactions energy: -1433.015
where: short stacking energy: -595.970
Base-Backbone interact. energy: -4.126
local terms energy: -682.446169
where:
bonds (distance) C4'-P energy: -134.898
bonds (distance) P-C4' energy: -124.485
flat angles C4'-P-C4' energy: -141.740
flat angles P-C4'-P energy: -101.420
tors. eta vs tors. theta energy: -179.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1972.497677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.497677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.497677 (E_RNA)
where:
Base-Base interactions energy: -1342.266
where: short stacking energy: -574.609
Base-Backbone interact. energy: -0.230
local terms energy: -630.002339
where:
bonds (distance) C4'-P energy: -112.166
bonds (distance) P-C4' energy: -136.036
flat angles C4'-P-C4' energy: -147.570
flat angles P-C4'-P energy: -95.153
tors. eta vs tors. theta energy: -139.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1532.968291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.968291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.968291 (E_RNA)
where:
Base-Base interactions energy: -962.602
where: short stacking energy: -452.741
Base-Backbone interact. energy: 2.159
local terms energy: -572.525518
where:
bonds (distance) C4'-P energy: -125.396
bonds (distance) P-C4' energy: -135.967
flat angles C4'-P-C4' energy: -131.703
flat angles P-C4'-P energy: -78.086
tors. eta vs tors. theta energy: -101.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1241.095512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.095512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.095512 (E_RNA)
where:
Base-Base interactions energy: -732.148
where: short stacking energy: -346.002
Base-Backbone interact. energy: -3.795
local terms energy: -505.152246
where:
bonds (distance) C4'-P energy: -126.958
bonds (distance) P-C4' energy: -139.026
flat angles C4'-P-C4' energy: -111.233
flat angles P-C4'-P energy: -71.540
tors. eta vs tors. theta energy: -56.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1046.958597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.958597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.958597 (E_RNA)
where:
Base-Base interactions energy: -570.371
where: short stacking energy: -288.788
Base-Backbone interact. energy: 1.080
local terms energy: -477.666960
where:
bonds (distance) C4'-P energy: -115.218
bonds (distance) P-C4' energy: -128.378
flat angles C4'-P-C4' energy: -113.974
flat angles P-C4'-P energy: -72.937
tors. eta vs tors. theta energy: -47.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -880.968815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.968815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.968815 (E_RNA)
where:
Base-Base interactions energy: -451.058
where: short stacking energy: -243.941
Base-Backbone interact. energy: 2.389
local terms energy: -432.299996
where:
bonds (distance) C4'-P energy: -136.495
bonds (distance) P-C4' energy: -125.131
flat angles C4'-P-C4' energy: -98.808
flat angles P-C4'-P energy: -56.067
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2657.355229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.355229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.355229 (E_RNA)
where:
Base-Base interactions energy: -1836.648
where: short stacking energy: -789.105
Base-Backbone interact. energy: -2.048
local terms energy: -818.659157
where:
bonds (distance) C4'-P energy: -151.568
bonds (distance) P-C4' energy: -135.885
flat angles C4'-P-C4' energy: -168.863
flat angles P-C4'-P energy: -112.220
tors. eta vs tors. theta energy: -250.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2594.749165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.749165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.749165 (E_RNA)
where:
Base-Base interactions energy: -1807.070
where: short stacking energy: -757.465
Base-Backbone interact. energy: -4.246
local terms energy: -783.432624
where:
bonds (distance) C4'-P energy: -137.646
bonds (distance) P-C4' energy: -130.789
flat angles C4'-P-C4' energy: -159.893
flat angles P-C4'-P energy: -119.783
tors. eta vs tors. theta energy: -235.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2499.623687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.623687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.623687 (E_RNA)
where:
Base-Base interactions energy: -1740.146
where: short stacking energy: -748.464
Base-Backbone interact. energy: -1.712
local terms energy: -757.766372
where:
bonds (distance) C4'-P energy: -139.097
bonds (distance) P-C4' energy: -123.893
flat angles C4'-P-C4' energy: -161.913
flat angles P-C4'-P energy: -103.770
tors. eta vs tors. theta energy: -229.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2390.991989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.991989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.991989 (E_RNA)
where:
Base-Base interactions energy: -1677.724
where: short stacking energy: -705.708
Base-Backbone interact. energy: -1.084
local terms energy: -712.183928
where:
bonds (distance) C4'-P energy: -122.537
bonds (distance) P-C4' energy: -131.268
flat angles C4'-P-C4' energy: -163.096
flat angles P-C4'-P energy: -112.029
tors. eta vs tors. theta energy: -183.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2091.077065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.077065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.077065 (E_RNA)
where:
Base-Base interactions energy: -1437.692
where: short stacking energy: -632.095
Base-Backbone interact. energy: -1.973
local terms energy: -651.412416
where:
bonds (distance) C4'-P energy: -120.456
bonds (distance) P-C4' energy: -118.395
flat angles C4'-P-C4' energy: -152.956
flat angles P-C4'-P energy: -93.621
tors. eta vs tors. theta energy: -165.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1902.012854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.012854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.012854 (E_RNA)
where:
Base-Base interactions energy: -1250.229
where: short stacking energy: -563.943
Base-Backbone interact. energy: -1.714
local terms energy: -650.069411
where:
bonds (distance) C4'-P energy: -119.646
bonds (distance) P-C4' energy: -119.177
flat angles C4'-P-C4' energy: -159.107
flat angles P-C4'-P energy: -91.483
tors. eta vs tors. theta energy: -160.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1511.773292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.773292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.773292 (E_RNA)
where:
Base-Base interactions energy: -945.074
where: short stacking energy: -466.462
Base-Backbone interact. energy: 1.132
local terms energy: -567.831431
where:
bonds (distance) C4'-P energy: -130.550
bonds (distance) P-C4' energy: -125.805
flat angles C4'-P-C4' energy: -122.769
flat angles P-C4'-P energy: -81.498
tors. eta vs tors. theta energy: -107.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1210.750759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.750759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.750759 (E_RNA)
where:
Base-Base interactions energy: -736.659
where: short stacking energy: -371.536
Base-Backbone interact. energy: 2.474
local terms energy: -476.565515
where:
bonds (distance) C4'-P energy: -118.265
bonds (distance) P-C4' energy: -129.858
flat angles C4'-P-C4' energy: -107.652
flat angles P-C4'-P energy: -72.090
tors. eta vs tors. theta energy: -48.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1028.785697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.785697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.785697 (E_RNA)
where:
Base-Base interactions energy: -621.126
where: short stacking energy: -340.071
Base-Backbone interact. energy: 2.165
local terms energy: -409.824397
where:
bonds (distance) C4'-P energy: -115.813
bonds (distance) P-C4' energy: -118.525
flat angles C4'-P-C4' energy: -103.923
flat angles P-C4'-P energy: -46.548
tors. eta vs tors. theta energy: -25.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -904.032328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.032328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.032328 (E_RNA)
where:
Base-Base interactions energy: -487.834
where: short stacking energy: -240.929
Base-Backbone interact. energy: -2.934
local terms energy: -413.264371
where:
bonds (distance) C4'-P energy: -113.353
bonds (distance) P-C4' energy: -118.151
flat angles C4'-P-C4' energy: -91.316
flat angles P-C4'-P energy: -67.370
tors. eta vs tors. theta energy: -23.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2649.915964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.915964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.915964 (E_RNA)
where:
Base-Base interactions energy: -1834.232
where: short stacking energy: -789.839
Base-Backbone interact. energy: -3.714
local terms energy: -811.970258
where:
bonds (distance) C4'-P energy: -149.876
bonds (distance) P-C4' energy: -150.139
flat angles C4'-P-C4' energy: -157.694
flat angles P-C4'-P energy: -110.132
tors. eta vs tors. theta energy: -244.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2590.839093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.839093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.839093 (E_RNA)
where:
Base-Base interactions energy: -1798.003
where: short stacking energy: -751.513
Base-Backbone interact. energy: -3.931
local terms energy: -788.904854
where:
bonds (distance) C4'-P energy: -142.756
bonds (distance) P-C4' energy: -132.923
flat angles C4'-P-C4' energy: -167.753
flat angles P-C4'-P energy: -108.057
tors. eta vs tors. theta energy: -237.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2525.567609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.567609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.567609 (E_RNA)
where:
Base-Base interactions energy: -1743.912
where: short stacking energy: -778.831
Base-Backbone interact. energy: -3.364
local terms energy: -778.292196
where:
bonds (distance) C4'-P energy: -122.059
bonds (distance) P-C4' energy: -137.395
flat angles C4'-P-C4' energy: -164.825
flat angles P-C4'-P energy: -114.447
tors. eta vs tors. theta energy: -239.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2328.658860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.658860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.658860 (E_RNA)
where:
Base-Base interactions energy: -1584.541
where: short stacking energy: -663.068
Base-Backbone interact. energy: 1.564
local terms energy: -745.681602
where:
bonds (distance) C4'-P energy: -140.761
bonds (distance) P-C4' energy: -144.264
flat angles C4'-P-C4' energy: -161.467
flat angles P-C4'-P energy: -117.920
tors. eta vs tors. theta energy: -181.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2055.144752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.144752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.144752 (E_RNA)
where:
Base-Base interactions energy: -1379.084
where: short stacking energy: -596.580
Base-Backbone interact. energy: -1.673
local terms energy: -674.388363
where:
bonds (distance) C4'-P energy: -131.457
bonds (distance) P-C4' energy: -131.308
flat angles C4'-P-C4' energy: -153.608
flat angles P-C4'-P energy: -90.556
tors. eta vs tors. theta energy: -167.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1955.688025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.688025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.688025 (E_RNA)
where:
Base-Base interactions energy: -1334.037
where: short stacking energy: -581.611
Base-Backbone interact. energy: -1.946
local terms energy: -619.704700
where:
bonds (distance) C4'-P energy: -120.434
bonds (distance) P-C4' energy: -112.702
flat angles C4'-P-C4' energy: -137.922
flat angles P-C4'-P energy: -87.757
tors. eta vs tors. theta energy: -160.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1519.749990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.749990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.749990 (E_RNA)
where:
Base-Base interactions energy: -980.074
where: short stacking energy: -452.329
Base-Backbone interact. energy: -1.875
local terms energy: -537.800850
where:
bonds (distance) C4'-P energy: -107.028
bonds (distance) P-C4' energy: -141.407
flat angles C4'-P-C4' energy: -110.677
flat angles P-C4'-P energy: -75.619
tors. eta vs tors. theta energy: -103.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1215.355796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.355796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.355796 (E_RNA)
where:
Base-Base interactions energy: -739.681
where: short stacking energy: -349.145
Base-Backbone interact. energy: 3.405
local terms energy: -479.079643
where:
bonds (distance) C4'-P energy: -115.265
bonds (distance) P-C4' energy: -115.448
flat angles C4'-P-C4' energy: -123.410
flat angles P-C4'-P energy: -61.024
tors. eta vs tors. theta energy: -63.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -998.761580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.761580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.761580 (E_RNA)
where:
Base-Base interactions energy: -568.679
where: short stacking energy: -265.977
Base-Backbone interact. energy: 3.792
local terms energy: -433.874747
where:
bonds (distance) C4'-P energy: -121.263
bonds (distance) P-C4' energy: -122.408
flat angles C4'-P-C4' energy: -94.746
flat angles P-C4'-P energy: -84.900
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -884.849524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.849524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.849524 (E_RNA)
where:
Base-Base interactions energy: -498.801
where: short stacking energy: -253.786
Base-Backbone interact. energy: 0.997
local terms energy: -387.045039
where:
bonds (distance) C4'-P energy: -107.496
bonds (distance) P-C4' energy: -130.987
flat angles C4'-P-C4' energy: -82.692
flat angles P-C4'-P energy: -60.804
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2675.439908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.439908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.439908 (E_RNA)
where:
Base-Base interactions energy: -1827.215
where: short stacking energy: -800.969
Base-Backbone interact. energy: -2.690
local terms energy: -845.535463
where:
bonds (distance) C4'-P energy: -147.042
bonds (distance) P-C4' energy: -148.852
flat angles C4'-P-C4' energy: -180.248
flat angles P-C4'-P energy: -125.517
tors. eta vs tors. theta energy: -243.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2574.328791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.328791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.328791 (E_RNA)
where:
Base-Base interactions energy: -1807.235
where: short stacking energy: -757.562
Base-Backbone interact. energy: -3.393
local terms energy: -763.700795
where:
bonds (distance) C4'-P energy: -136.580
bonds (distance) P-C4' energy: -139.581
flat angles C4'-P-C4' energy: -152.409
flat angles P-C4'-P energy: -112.516
tors. eta vs tors. theta energy: -222.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2498.650095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.650095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.650095 (E_RNA)
where:
Base-Base interactions energy: -1724.519
where: short stacking energy: -755.950
Base-Backbone interact. energy: 0.604
local terms energy: -774.735405
where:
bonds (distance) C4'-P energy: -147.986
bonds (distance) P-C4' energy: -138.494
flat angles C4'-P-C4' energy: -160.746
flat angles P-C4'-P energy: -107.522
tors. eta vs tors. theta energy: -219.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2353.938367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.938367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.938367 (E_RNA)
where:
Base-Base interactions energy: -1641.774
where: short stacking energy: -672.232
Base-Backbone interact. energy: -1.976
local terms energy: -710.188536
where:
bonds (distance) C4'-P energy: -125.983
bonds (distance) P-C4' energy: -127.767
flat angles C4'-P-C4' energy: -155.939
flat angles P-C4'-P energy: -113.151
tors. eta vs tors. theta energy: -187.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2101.495083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.495083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.495083 (E_RNA)
where:
Base-Base interactions energy: -1433.488
where: short stacking energy: -629.421
Base-Backbone interact. energy: -0.537
local terms energy: -667.469717
where:
bonds (distance) C4'-P energy: -125.824
bonds (distance) P-C4' energy: -132.320
flat angles C4'-P-C4' energy: -146.390
flat angles P-C4'-P energy: -85.357
tors. eta vs tors. theta energy: -177.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1906.826414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.826414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.826414 (E_RNA)
where:
Base-Base interactions energy: -1293.161
where: short stacking energy: -569.360
Base-Backbone interact. energy: -5.152
local terms energy: -608.513492
where:
bonds (distance) C4'-P energy: -128.843
bonds (distance) P-C4' energy: -121.250
flat angles C4'-P-C4' energy: -130.784
flat angles P-C4'-P energy: -67.182
tors. eta vs tors. theta energy: -160.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1495.487966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.487966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.487966 (E_RNA)
where:
Base-Base interactions energy: -944.770
where: short stacking energy: -446.770
Base-Backbone interact. energy: -3.951
local terms energy: -546.767391
where:
bonds (distance) C4'-P energy: -118.860
bonds (distance) P-C4' energy: -128.658
flat angles C4'-P-C4' energy: -144.739
flat angles P-C4'-P energy: -65.171
tors. eta vs tors. theta energy: -89.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1245.163690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.163690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.163690 (E_RNA)
where:
Base-Base interactions energy: -764.499
where: short stacking energy: -385.161
Base-Backbone interact. energy: 0.864
local terms energy: -481.528981
where:
bonds (distance) C4'-P energy: -106.202
bonds (distance) P-C4' energy: -115.626
flat angles C4'-P-C4' energy: -128.300
flat angles P-C4'-P energy: -73.214
tors. eta vs tors. theta energy: -58.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1037.945690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.945690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.945690 (E_RNA)
where:
Base-Base interactions energy: -602.120
where: short stacking energy: -302.293
Base-Backbone interact. energy: 1.534
local terms energy: -437.359716
where:
bonds (distance) C4'-P energy: -102.855
bonds (distance) P-C4' energy: -117.080
flat angles C4'-P-C4' energy: -115.017
flat angles P-C4'-P energy: -64.143
tors. eta vs tors. theta energy: -38.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -901.468045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.468045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.468045 (E_RNA)
where:
Base-Base interactions energy: -499.399
where: short stacking energy: -236.665
Base-Backbone interact. energy: 0.252
local terms energy: -402.320611
where:
bonds (distance) C4'-P energy: -95.905
bonds (distance) P-C4' energy: -119.660
flat angles C4'-P-C4' energy: -105.871
flat angles P-C4'-P energy: -78.507
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2689.114704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.114704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.114704 (E_RNA)
where:
Base-Base interactions energy: -1849.636
where: short stacking energy: -785.608
Base-Backbone interact. energy: -3.115
local terms energy: -836.363759
where:
bonds (distance) C4'-P energy: -144.457
bonds (distance) P-C4' energy: -152.164
flat angles C4'-P-C4' energy: -174.154
flat angles P-C4'-P energy: -115.879
tors. eta vs tors. theta energy: -249.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2565.279349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.279349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.279349 (E_RNA)
where:
Base-Base interactions energy: -1802.235
where: short stacking energy: -749.874
Base-Backbone interact. energy: -0.500
local terms energy: -762.544324
where:
bonds (distance) C4'-P energy: -127.267
bonds (distance) P-C4' energy: -139.795
flat angles C4'-P-C4' energy: -168.245
flat angles P-C4'-P energy: -103.607
tors. eta vs tors. theta energy: -223.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2489.500358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.500358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.500358 (E_RNA)
where:
Base-Base interactions energy: -1701.390
where: short stacking energy: -761.562
Base-Backbone interact. energy: -2.271
local terms energy: -785.839323
where:
bonds (distance) C4'-P energy: -122.940
bonds (distance) P-C4' energy: -152.985
flat angles C4'-P-C4' energy: -165.664
flat angles P-C4'-P energy: -116.362
tors. eta vs tors. theta energy: -227.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2364.599625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.599625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.599625 (E_RNA)
where:
Base-Base interactions energy: -1654.694
where: short stacking energy: -703.880
Base-Backbone interact. energy: -3.087
local terms energy: -706.817654
where:
bonds (distance) C4'-P energy: -126.640
bonds (distance) P-C4' energy: -134.032
flat angles C4'-P-C4' energy: -158.274
flat angles P-C4'-P energy: -100.789
tors. eta vs tors. theta energy: -187.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2120.743827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.743827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.743827 (E_RNA)
where:
Base-Base interactions energy: -1433.989
where: short stacking energy: -652.579
Base-Backbone interact. energy: -2.053
local terms energy: -684.701469
where:
bonds (distance) C4'-P energy: -122.473
bonds (distance) P-C4' energy: -135.039
flat angles C4'-P-C4' energy: -154.879
flat angles P-C4'-P energy: -98.840
tors. eta vs tors. theta energy: -173.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1950.810565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.810565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.810565 (E_RNA)
where:
Base-Base interactions energy: -1329.967
where: short stacking energy: -576.455
Base-Backbone interact. energy: -3.581
local terms energy: -617.262536
where:
bonds (distance) C4'-P energy: -131.788
bonds (distance) P-C4' energy: -115.268
flat angles C4'-P-C4' energy: -136.753
flat angles P-C4'-P energy: -85.494
tors. eta vs tors. theta energy: -147.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1502.642186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.642186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.642186 (E_RNA)
where:
Base-Base interactions energy: -935.811
where: short stacking energy: -426.432
Base-Backbone interact. energy: -3.290
local terms energy: -563.541274
where:
bonds (distance) C4'-P energy: -107.676
bonds (distance) P-C4' energy: -142.634
flat angles C4'-P-C4' energy: -144.616
flat angles P-C4'-P energy: -80.696
tors. eta vs tors. theta energy: -87.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1277.387935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.387935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.387935 (E_RNA)
where:
Base-Base interactions energy: -782.894
where: short stacking energy: -355.273
Base-Backbone interact. energy: -4.995
local terms energy: -489.498688
where:
bonds (distance) C4'-P energy: -115.001
bonds (distance) P-C4' energy: -105.421
flat angles C4'-P-C4' energy: -116.206
flat angles P-C4'-P energy: -91.183
tors. eta vs tors. theta energy: -61.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -999.072590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.072590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.072590 (E_RNA)
where:
Base-Base interactions energy: -577.298
where: short stacking energy: -273.733
Base-Backbone interact. energy: -1.831
local terms energy: -419.943052
where:
bonds (distance) C4'-P energy: -128.592
bonds (distance) P-C4' energy: -121.630
flat angles C4'-P-C4' energy: -94.142
flat angles P-C4'-P energy: -66.114
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -957.202266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.202266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.202266 (E_RNA)
where:
Base-Base interactions energy: -569.110
where: short stacking energy: -303.765
Base-Backbone interact. energy: 1.265
local terms energy: -389.357195
where:
bonds (distance) C4'-P energy: -112.863
bonds (distance) P-C4' energy: -100.801
flat angles C4'-P-C4' energy: -126.260
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2674.335929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.335929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.335929 (E_RNA)
where:
Base-Base interactions energy: -1860.148
where: short stacking energy: -807.195
Base-Backbone interact. energy: -2.388
local terms energy: -811.799966
where:
bonds (distance) C4'-P energy: -142.674
bonds (distance) P-C4' energy: -143.592
flat angles C4'-P-C4' energy: -173.203
flat angles P-C4'-P energy: -113.210
tors. eta vs tors. theta energy: -239.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2562.353869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.353869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.353869 (E_RNA)
where:
Base-Base interactions energy: -1769.299
where: short stacking energy: -740.205
Base-Backbone interact. energy: -5.339
local terms energy: -787.716065
where:
bonds (distance) C4'-P energy: -145.459
bonds (distance) P-C4' energy: -139.777
flat angles C4'-P-C4' energy: -153.820
flat angles P-C4'-P energy: -115.334
tors. eta vs tors. theta energy: -233.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2523.508940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.508940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.508940 (E_RNA)
where:
Base-Base interactions energy: -1727.540
where: short stacking energy: -767.618
Base-Backbone interact. energy: -2.157
local terms energy: -793.812472
where:
bonds (distance) C4'-P energy: -153.272
bonds (distance) P-C4' energy: -137.770
flat angles C4'-P-C4' energy: -164.133
flat angles P-C4'-P energy: -108.331
tors. eta vs tors. theta energy: -230.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2384.966320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.966320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.966320 (E_RNA)
where:
Base-Base interactions energy: -1638.244
where: short stacking energy: -675.155
Base-Backbone interact. energy: -2.267
local terms energy: -744.455365
where:
bonds (distance) C4'-P energy: -143.622
bonds (distance) P-C4' energy: -144.277
flat angles C4'-P-C4' energy: -163.235
flat angles P-C4'-P energy: -95.261
tors. eta vs tors. theta energy: -198.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2076.115736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.115736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.115736 (E_RNA)
where:
Base-Base interactions energy: -1411.432
where: short stacking energy: -591.636
Base-Backbone interact. energy: -3.719
local terms energy: -660.963915
where:
bonds (distance) C4'-P energy: -142.269
bonds (distance) P-C4' energy: -119.289
flat angles C4'-P-C4' energy: -139.366
flat angles P-C4'-P energy: -89.153
tors. eta vs tors. theta energy: -170.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1951.996743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.996743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.996743 (E_RNA)
where:
Base-Base interactions energy: -1323.748
where: short stacking energy: -547.838
Base-Backbone interact. energy: 1.209
local terms energy: -629.457497
where:
bonds (distance) C4'-P energy: -130.386
bonds (distance) P-C4' energy: -132.582
flat angles C4'-P-C4' energy: -128.870
flat angles P-C4'-P energy: -89.128
tors. eta vs tors. theta energy: -148.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1436.021617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.021617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.021617 (E_RNA)
where:
Base-Base interactions energy: -928.377
where: short stacking energy: -440.708
Base-Backbone interact. energy: -2.952
local terms energy: -504.692335
where:
bonds (distance) C4'-P energy: -108.532
bonds (distance) P-C4' energy: -133.979
flat angles C4'-P-C4' energy: -120.815
flat angles P-C4'-P energy: -60.886
tors. eta vs tors. theta energy: -80.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1307.971388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.971388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.971388 (E_RNA)
where:
Base-Base interactions energy: -774.550
where: short stacking energy: -378.676
Base-Backbone interact. energy: -2.607
local terms energy: -530.814804
where:
bonds (distance) C4'-P energy: -108.811
bonds (distance) P-C4' energy: -126.971
flat angles C4'-P-C4' energy: -122.313
flat angles P-C4'-P energy: -93.010
tors. eta vs tors. theta energy: -79.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1033.042529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.042529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.042529 (E_RNA)
where:
Base-Base interactions energy: -569.334
where: short stacking energy: -299.446
Base-Backbone interact. energy: 5.291
local terms energy: -468.999907
where:
bonds (distance) C4'-P energy: -117.127
bonds (distance) P-C4' energy: -113.909
flat angles C4'-P-C4' energy: -112.413
flat angles P-C4'-P energy: -84.356
tors. eta vs tors. theta energy: -41.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -878.945710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.945710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.945710 (E_RNA)
where:
Base-Base interactions energy: -498.861
where: short stacking energy: -250.972
Base-Backbone interact. energy: -5.518
local terms energy: -374.566666
where:
bonds (distance) C4'-P energy: -98.942
bonds (distance) P-C4' energy: -115.457
flat angles C4'-P-C4' energy: -105.182
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -11.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2677.618792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.618792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.618792 (E_RNA)
where:
Base-Base interactions energy: -1844.287
where: short stacking energy: -809.508
Base-Backbone interact. energy: -1.527
local terms energy: -831.804767
where:
bonds (distance) C4'-P energy: -150.054
bonds (distance) P-C4' energy: -154.777
flat angles C4'-P-C4' energy: -163.433
flat angles P-C4'-P energy: -119.391
tors. eta vs tors. theta energy: -244.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2578.731305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.731305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.731305 (E_RNA)
where:
Base-Base interactions energy: -1759.412
where: short stacking energy: -780.987
Base-Backbone interact. energy: -2.849
local terms energy: -816.470050
where:
bonds (distance) C4'-P energy: -147.976
bonds (distance) P-C4' energy: -140.280
flat angles C4'-P-C4' energy: -169.579
flat angles P-C4'-P energy: -111.484
tors. eta vs tors. theta energy: -247.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2504.378188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.378188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.378188 (E_RNA)
where:
Base-Base interactions energy: -1746.182
where: short stacking energy: -715.959
Base-Backbone interact. energy: -4.438
local terms energy: -753.758291
where:
bonds (distance) C4'-P energy: -122.149
bonds (distance) P-C4' energy: -152.995
flat angles C4'-P-C4' energy: -156.519
flat angles P-C4'-P energy: -97.236
tors. eta vs tors. theta energy: -224.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2357.860743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.860743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.860743 (E_RNA)
where:
Base-Base interactions energy: -1618.686
where: short stacking energy: -672.044
Base-Backbone interact. energy: -0.019
local terms energy: -739.156102
where:
bonds (distance) C4'-P energy: -139.434
bonds (distance) P-C4' energy: -142.440
flat angles C4'-P-C4' energy: -159.663
flat angles P-C4'-P energy: -107.880
tors. eta vs tors. theta energy: -189.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2080.348424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.348424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.348424 (E_RNA)
where:
Base-Base interactions energy: -1388.736
where: short stacking energy: -604.598
Base-Backbone interact. energy: -2.047
local terms energy: -689.565153
where:
bonds (distance) C4'-P energy: -146.446
bonds (distance) P-C4' energy: -125.640
flat angles C4'-P-C4' energy: -158.507
flat angles P-C4'-P energy: -89.929
tors. eta vs tors. theta energy: -169.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2006.205442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.205442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.205442 (E_RNA)
where:
Base-Base interactions energy: -1346.261
where: short stacking energy: -579.472
Base-Backbone interact. energy: -3.578
local terms energy: -656.366704
where:
bonds (distance) C4'-P energy: -123.106
bonds (distance) P-C4' energy: -148.174
flat angles C4'-P-C4' energy: -152.961
flat angles P-C4'-P energy: -89.021
tors. eta vs tors. theta energy: -143.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1613.006079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.006079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.006079 (E_RNA)
where:
Base-Base interactions energy: -1020.982
where: short stacking energy: -475.992
Base-Backbone interact. energy: 0.086
local terms energy: -592.109784
where:
bonds (distance) C4'-P energy: -126.185
bonds (distance) P-C4' energy: -136.690
flat angles C4'-P-C4' energy: -140.360
flat angles P-C4'-P energy: -83.616
tors. eta vs tors. theta energy: -105.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1332.597752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.597752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.597752 (E_RNA)
where:
Base-Base interactions energy: -814.620
where: short stacking energy: -406.759
Base-Backbone interact. energy: -3.677
local terms energy: -514.300033
where:
bonds (distance) C4'-P energy: -106.481
bonds (distance) P-C4' energy: -131.889
flat angles C4'-P-C4' energy: -135.048
flat angles P-C4'-P energy: -62.876
tors. eta vs tors. theta energy: -78.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1024.593251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.593251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.593251 (E_RNA)
where:
Base-Base interactions energy: -590.005
where: short stacking energy: -296.877
Base-Backbone interact. energy: 2.189
local terms energy: -436.777396
where:
bonds (distance) C4'-P energy: -113.709
bonds (distance) P-C4' energy: -116.184
flat angles C4'-P-C4' energy: -122.851
flat angles P-C4'-P energy: -56.155
tors. eta vs tors. theta energy: -27.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -870.401557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.401557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.401557 (E_RNA)
where:
Base-Base interactions energy: -447.585
where: short stacking energy: -231.366
Base-Backbone interact. energy: 4.734
local terms energy: -427.550775
where:
bonds (distance) C4'-P energy: -130.255
bonds (distance) P-C4' energy: -127.882
flat angles C4'-P-C4' energy: -99.448
flat angles P-C4'-P energy: -67.092
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2659.651548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.651548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.651548 (E_RNA)
where:
Base-Base interactions energy: -1806.816
where: short stacking energy: -800.611
Base-Backbone interact. energy: -1.727
local terms energy: -851.108585
where:
bonds (distance) C4'-P energy: -154.091
bonds (distance) P-C4' energy: -154.401
flat angles C4'-P-C4' energy: -173.146
flat angles P-C4'-P energy: -125.332
tors. eta vs tors. theta energy: -244.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2573.732369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.732369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.732369 (E_RNA)
where:
Base-Base interactions energy: -1769.106
where: short stacking energy: -777.572
Base-Backbone interact. energy: -3.091
local terms energy: -801.535122
where:
bonds (distance) C4'-P energy: -137.173
bonds (distance) P-C4' energy: -140.955
flat angles C4'-P-C4' energy: -172.218
flat angles P-C4'-P energy: -107.894
tors. eta vs tors. theta energy: -243.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2531.116540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.116540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.116540 (E_RNA)
where:
Base-Base interactions energy: -1750.428
where: short stacking energy: -713.844
Base-Backbone interact. energy: -2.952
local terms energy: -777.736550
where:
bonds (distance) C4'-P energy: -138.303
bonds (distance) P-C4' energy: -152.597
flat angles C4'-P-C4' energy: -155.679
flat angles P-C4'-P energy: -107.126
tors. eta vs tors. theta energy: -224.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2402.309926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.309926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.309926 (E_RNA)
where:
Base-Base interactions energy: -1694.069
where: short stacking energy: -715.615
Base-Backbone interact. energy: 0.354
local terms energy: -708.594034
where:
bonds (distance) C4'-P energy: -139.004
bonds (distance) P-C4' energy: -122.782
flat angles C4'-P-C4' energy: -154.069
flat angles P-C4'-P energy: -100.566
tors. eta vs tors. theta energy: -192.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2152.663791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.663791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.663791 (E_RNA)
where:
Base-Base interactions energy: -1457.071
where: short stacking energy: -617.853
Base-Backbone interact. energy: -3.346
local terms energy: -692.247273
where:
bonds (distance) C4'-P energy: -109.813
bonds (distance) P-C4' energy: -138.886
flat angles C4'-P-C4' energy: -153.478
flat angles P-C4'-P energy: -97.217
tors. eta vs tors. theta energy: -192.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1981.390083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.390083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.390083 (E_RNA)
where:
Base-Base interactions energy: -1347.327
where: short stacking energy: -563.542
Base-Backbone interact. energy: -4.187
local terms energy: -629.876220
where:
bonds (distance) C4'-P energy: -110.672
bonds (distance) P-C4' energy: -116.299
flat angles C4'-P-C4' energy: -138.590
flat angles P-C4'-P energy: -111.304
tors. eta vs tors. theta energy: -153.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1614.674529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.674529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.674529 (E_RNA)
where:
Base-Base interactions energy: -1025.049
where: short stacking energy: -457.735
Base-Backbone interact. energy: -2.954
local terms energy: -586.671807
where:
bonds (distance) C4'-P energy: -142.859
bonds (distance) P-C4' energy: -117.298
flat angles C4'-P-C4' energy: -125.015
flat angles P-C4'-P energy: -92.595
tors. eta vs tors. theta energy: -108.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1313.804705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.804705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.804705 (E_RNA)
where:
Base-Base interactions energy: -848.735
where: short stacking energy: -387.055
Base-Backbone interact. energy: -3.391
local terms energy: -461.678652
where:
bonds (distance) C4'-P energy: -98.118
bonds (distance) P-C4' energy: -125.147
flat angles C4'-P-C4' energy: -125.556
flat angles P-C4'-P energy: -62.200
tors. eta vs tors. theta energy: -50.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1039.800225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.800225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.800225 (E_RNA)
where:
Base-Base interactions energy: -590.840
where: short stacking energy: -306.252
Base-Backbone interact. energy: -0.259
local terms energy: -448.700931
where:
bonds (distance) C4'-P energy: -115.747
bonds (distance) P-C4' energy: -118.011
flat angles C4'-P-C4' energy: -107.263
flat angles P-C4'-P energy: -75.984
tors. eta vs tors. theta energy: -31.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -826.803213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.803213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.803213 (E_RNA)
where:
Base-Base interactions energy: -432.833
where: short stacking energy: -253.504
Base-Backbone interact. energy: -2.903
local terms energy: -391.066999
where:
bonds (distance) C4'-P energy: -109.407
bonds (distance) P-C4' energy: -107.250
flat angles C4'-P-C4' energy: -114.569
flat angles P-C4'-P energy: -56.665
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2696.862732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.862732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.862732 (E_RNA)
where:
Base-Base interactions energy: -1882.005
where: short stacking energy: -810.686
Base-Backbone interact. energy: -1.124
local terms energy: -813.732878
where:
bonds (distance) C4'-P energy: -146.875
bonds (distance) P-C4' energy: -125.639
flat angles C4'-P-C4' energy: -167.198
flat angles P-C4'-P energy: -125.585
tors. eta vs tors. theta energy: -248.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2548.688035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.688035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.688035 (E_RNA)
where:
Base-Base interactions energy: -1748.125
where: short stacking energy: -782.537
Base-Backbone interact. energy: -3.975
local terms energy: -796.587481
where:
bonds (distance) C4'-P energy: -135.086
bonds (distance) P-C4' energy: -151.418
flat angles C4'-P-C4' energy: -159.976
flat angles P-C4'-P energy: -115.532
tors. eta vs tors. theta energy: -234.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2533.839172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.839172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.839172 (E_RNA)
where:
Base-Base interactions energy: -1754.328
where: short stacking energy: -756.561
Base-Backbone interact. energy: -3.140
local terms energy: -776.371806
where:
bonds (distance) C4'-P energy: -147.897
bonds (distance) P-C4' energy: -112.555
flat angles C4'-P-C4' energy: -169.401
flat angles P-C4'-P energy: -109.268
tors. eta vs tors. theta energy: -237.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2383.508628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.508628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.508628 (E_RNA)
where:
Base-Base interactions energy: -1662.208
where: short stacking energy: -691.154
Base-Backbone interact. energy: -0.367
local terms energy: -720.933920
where:
bonds (distance) C4'-P energy: -127.772
bonds (distance) P-C4' energy: -140.508
flat angles C4'-P-C4' energy: -155.104
flat angles P-C4'-P energy: -102.673
tors. eta vs tors. theta energy: -194.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2190.050050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.050050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.050050 (E_RNA)
where:
Base-Base interactions energy: -1500.284
where: short stacking energy: -655.989
Base-Backbone interact. energy: -0.491
local terms energy: -689.274682
where:
bonds (distance) C4'-P energy: -122.630
bonds (distance) P-C4' energy: -122.926
flat angles C4'-P-C4' energy: -148.302
flat angles P-C4'-P energy: -114.090
tors. eta vs tors. theta energy: -181.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1967.572554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.572554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.572554 (E_RNA)
where:
Base-Base interactions energy: -1359.013
where: short stacking energy: -595.128
Base-Backbone interact. energy: 0.419
local terms energy: -608.978777
where:
bonds (distance) C4'-P energy: -116.258
bonds (distance) P-C4' energy: -127.606
flat angles C4'-P-C4' energy: -128.389
flat angles P-C4'-P energy: -93.158
tors. eta vs tors. theta energy: -143.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1551.062207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.062207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.062207 (E_RNA)
where:
Base-Base interactions energy: -994.680
where: short stacking energy: -447.948
Base-Backbone interact. energy: -2.310
local terms energy: -554.071925
where:
bonds (distance) C4'-P energy: -125.685
bonds (distance) P-C4' energy: -111.651
flat angles C4'-P-C4' energy: -137.297
flat angles P-C4'-P energy: -68.189
tors. eta vs tors. theta energy: -111.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1324.097101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.097101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.097101 (E_RNA)
where:
Base-Base interactions energy: -820.750
where: short stacking energy: -411.271
Base-Backbone interact. energy: -0.367
local terms energy: -502.980518
where:
bonds (distance) C4'-P energy: -119.757
bonds (distance) P-C4' energy: -133.132
flat angles C4'-P-C4' energy: -111.911
flat angles P-C4'-P energy: -57.803
tors. eta vs tors. theta energy: -80.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -963.003612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.003612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.003612 (E_RNA)
where:
Base-Base interactions energy: -542.579
where: short stacking energy: -252.232
Base-Backbone interact. energy: -2.023
local terms energy: -418.400880
where:
bonds (distance) C4'-P energy: -112.073
bonds (distance) P-C4' energy: -105.639
flat angles C4'-P-C4' energy: -122.129
flat angles P-C4'-P energy: -63.652
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -779.960603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.960603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.960603 (E_RNA)
where:
Base-Base interactions energy: -409.859
where: short stacking energy: -228.356
Base-Backbone interact. energy: 0.791
local terms energy: -370.892721
where:
bonds (distance) C4'-P energy: -109.101
bonds (distance) P-C4' energy: -131.593
flat angles C4'-P-C4' energy: -76.776
flat angles P-C4'-P energy: -57.616
tors. eta vs tors. theta energy: 4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2652.983819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.983819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.983819 (E_RNA)
where:
Base-Base interactions energy: -1829.149
where: short stacking energy: -778.234
Base-Backbone interact. energy: -1.871
local terms energy: -821.963078
where:
bonds (distance) C4'-P energy: -150.927
bonds (distance) P-C4' energy: -147.424
flat angles C4'-P-C4' energy: -172.019
flat angles P-C4'-P energy: -112.606
tors. eta vs tors. theta energy: -238.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2549.057722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.057722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.057722 (E_RNA)
where:
Base-Base interactions energy: -1758.213
where: short stacking energy: -795.516
Base-Backbone interact. energy: -3.883
local terms energy: -786.961462
where:
bonds (distance) C4'-P energy: -131.624
bonds (distance) P-C4' energy: -128.226
flat angles C4'-P-C4' energy: -175.377
flat angles P-C4'-P energy: -117.548
tors. eta vs tors. theta energy: -234.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2538.794336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.794336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.794336 (E_RNA)
where:
Base-Base interactions energy: -1780.450
where: short stacking energy: -754.443
Base-Backbone interact. energy: -1.628
local terms energy: -756.716508
where:
bonds (distance) C4'-P energy: -127.801
bonds (distance) P-C4' energy: -131.935
flat angles C4'-P-C4' energy: -151.167
flat angles P-C4'-P energy: -109.656
tors. eta vs tors. theta energy: -236.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2383.706009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.706009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.706009 (E_RNA)
where:
Base-Base interactions energy: -1672.940
where: short stacking energy: -721.936
Base-Backbone interact. energy: -2.593
local terms energy: -708.172981
where:
bonds (distance) C4'-P energy: -118.542
bonds (distance) P-C4' energy: -133.829
flat angles C4'-P-C4' energy: -158.329
flat angles P-C4'-P energy: -95.314
tors. eta vs tors. theta energy: -202.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2197.055936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.055936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.055936 (E_RNA)
where:
Base-Base interactions energy: -1515.911
where: short stacking energy: -682.762
Base-Backbone interact. energy: 1.161
local terms energy: -682.305831
where:
bonds (distance) C4'-P energy: -122.247
bonds (distance) P-C4' energy: -132.449
flat angles C4'-P-C4' energy: -140.707
flat angles P-C4'-P energy: -83.179
tors. eta vs tors. theta energy: -203.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1965.106593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.106593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.106593 (E_RNA)
where:
Base-Base interactions energy: -1317.201
where: short stacking energy: -590.300
Base-Backbone interact. energy: 1.123
local terms energy: -649.028469
where:
bonds (distance) C4'-P energy: -122.883
bonds (distance) P-C4' energy: -144.582
flat angles C4'-P-C4' energy: -136.206
flat angles P-C4'-P energy: -89.026
tors. eta vs tors. theta energy: -156.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1618.119141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.119141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.119141 (E_RNA)
where:
Base-Base interactions energy: -1058.197
where: short stacking energy: -476.906
Base-Backbone interact. energy: -1.610
local terms energy: -558.311797
where:
bonds (distance) C4'-P energy: -131.044
bonds (distance) P-C4' energy: -109.074
flat angles C4'-P-C4' energy: -126.732
flat angles P-C4'-P energy: -88.845
tors. eta vs tors. theta energy: -102.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1318.469138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.469138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.469138 (E_RNA)
where:
Base-Base interactions energy: -814.098
where: short stacking energy: -381.843
Base-Backbone interact. energy: 0.142
local terms energy: -504.512418
where:
bonds (distance) C4'-P energy: -126.097
bonds (distance) P-C4' energy: -133.834
flat angles C4'-P-C4' energy: -116.392
flat angles P-C4'-P energy: -68.259
tors. eta vs tors. theta energy: -59.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -983.638109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.638109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.638109 (E_RNA)
where:
Base-Base interactions energy: -556.852
where: short stacking energy: -271.097
Base-Backbone interact. energy: 5.848
local terms energy: -432.633659
where:
bonds (distance) C4'-P energy: -106.971
bonds (distance) P-C4' energy: -120.200
flat angles C4'-P-C4' energy: -106.941
flat angles P-C4'-P energy: -82.318
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -796.176603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.176603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.176603 (E_RNA)
where:
Base-Base interactions energy: -404.631
where: short stacking energy: -208.859
Base-Backbone interact. energy: 4.709
local terms energy: -396.254204
where:
bonds (distance) C4'-P energy: -114.701
bonds (distance) P-C4' energy: -113.229
flat angles C4'-P-C4' energy: -106.651
flat angles P-C4'-P energy: -66.025
tors. eta vs tors. theta energy: 4.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2669.278832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.278832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.278832 (E_RNA)
where:
Base-Base interactions energy: -1855.505
where: short stacking energy: -807.034
Base-Backbone interact. energy: -4.714
local terms energy: -809.060118
where:
bonds (distance) C4'-P energy: -132.562
bonds (distance) P-C4' energy: -144.452
flat angles C4'-P-C4' energy: -161.266
flat angles P-C4'-P energy: -121.633
tors. eta vs tors. theta energy: -249.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2578.900784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.900784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.900784 (E_RNA)
where:
Base-Base interactions energy: -1791.345
where: short stacking energy: -771.791
Base-Backbone interact. energy: 1.934
local terms energy: -789.489971
where:
bonds (distance) C4'-P energy: -122.431
bonds (distance) P-C4' energy: -146.658
flat angles C4'-P-C4' energy: -172.986
flat angles P-C4'-P energy: -113.818
tors. eta vs tors. theta energy: -233.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2521.377659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.377659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.377659 (E_RNA)
where:
Base-Base interactions energy: -1740.616
where: short stacking energy: -756.732
Base-Backbone interact. energy: -1.143
local terms energy: -779.619229
where:
bonds (distance) C4'-P energy: -140.054
bonds (distance) P-C4' energy: -139.111
flat angles C4'-P-C4' energy: -156.457
flat angles P-C4'-P energy: -106.619
tors. eta vs tors. theta energy: -237.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2453.386347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.386347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.386347 (E_RNA)
where:
Base-Base interactions energy: -1715.962
where: short stacking energy: -712.410
Base-Backbone interact. energy: 5.364
local terms energy: -742.787977
where:
bonds (distance) C4'-P energy: -140.414
bonds (distance) P-C4' energy: -136.812
flat angles C4'-P-C4' energy: -151.369
flat angles P-C4'-P energy: -112.099
tors. eta vs tors. theta energy: -202.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2238.895945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.895945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.895945 (E_RNA)
where:
Base-Base interactions energy: -1501.257
where: short stacking energy: -639.670
Base-Backbone interact. energy: -0.926
local terms energy: -736.712837
where:
bonds (distance) C4'-P energy: -150.436
bonds (distance) P-C4' energy: -134.317
flat angles C4'-P-C4' energy: -150.506
flat angles P-C4'-P energy: -106.619
tors. eta vs tors. theta energy: -194.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1920.453411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.453411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.453411 (E_RNA)
where:
Base-Base interactions energy: -1294.073
where: short stacking energy: -552.900
Base-Backbone interact. energy: -3.714
local terms energy: -622.666460
where:
bonds (distance) C4'-P energy: -128.320
bonds (distance) P-C4' energy: -139.742
flat angles C4'-P-C4' energy: -132.317
flat angles P-C4'-P energy: -84.940
tors. eta vs tors. theta energy: -137.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1700.915430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.915430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.915430 (E_RNA)
where:
Base-Base interactions energy: -1097.325
where: short stacking energy: -514.003
Base-Backbone interact. energy: 1.366
local terms energy: -604.956490
where:
bonds (distance) C4'-P energy: -129.898
bonds (distance) P-C4' energy: -135.767
flat angles C4'-P-C4' energy: -129.054
flat angles P-C4'-P energy: -85.309
tors. eta vs tors. theta energy: -124.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1325.622782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.622782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.622782 (E_RNA)
where:
Base-Base interactions energy: -820.536
where: short stacking energy: -386.982
Base-Backbone interact. energy: -1.311
local terms energy: -503.776188
where:
bonds (distance) C4'-P energy: -118.061
bonds (distance) P-C4' energy: -121.347
flat angles C4'-P-C4' energy: -131.590
flat angles P-C4'-P energy: -75.623
tors. eta vs tors. theta energy: -57.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -940.358269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.358269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.358269 (E_RNA)
where:
Base-Base interactions energy: -508.615
where: short stacking energy: -308.345
Base-Backbone interact. energy: -0.011
local terms energy: -431.731580
where:
bonds (distance) C4'-P energy: -106.280
bonds (distance) P-C4' energy: -134.611
flat angles C4'-P-C4' energy: -104.201
flat angles P-C4'-P energy: -61.610
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -771.250454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.250454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.250454 (E_RNA)
where:
Base-Base interactions energy: -391.131
where: short stacking energy: -201.173
Base-Backbone interact. energy: 5.863
local terms energy: -385.982992
where:
bonds (distance) C4'-P energy: -106.056
bonds (distance) P-C4' energy: -136.818
flat angles C4'-P-C4' energy: -103.528
flat angles P-C4'-P energy: -65.061
tors. eta vs tors. theta energy: 25.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2656.700595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.700595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.700595 (E_RNA)
where:
Base-Base interactions energy: -1824.742
where: short stacking energy: -790.200
Base-Backbone interact. energy: -0.853
local terms energy: -831.105825
where:
bonds (distance) C4'-P energy: -151.873
bonds (distance) P-C4' energy: -147.451
flat angles C4'-P-C4' energy: -167.953
flat angles P-C4'-P energy: -121.627
tors. eta vs tors. theta energy: -242.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2571.347465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.347465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.347465 (E_RNA)
where:
Base-Base interactions energy: -1795.854
where: short stacking energy: -775.246
Base-Backbone interact. energy: -1.175
local terms energy: -774.318073
where:
bonds (distance) C4'-P energy: -138.804
bonds (distance) P-C4' energy: -144.415
flat angles C4'-P-C4' energy: -158.016
flat angles P-C4'-P energy: -101.031
tors. eta vs tors. theta energy: -232.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2468.962459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.962459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.962459 (E_RNA)
where:
Base-Base interactions energy: -1686.644
where: short stacking energy: -733.278
Base-Backbone interact. energy: -1.592
local terms energy: -780.727209
where:
bonds (distance) C4'-P energy: -148.722
bonds (distance) P-C4' energy: -144.111
flat angles C4'-P-C4' energy: -156.489
flat angles P-C4'-P energy: -102.458
tors. eta vs tors. theta energy: -228.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2441.833668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.833668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.833668 (E_RNA)
where:
Base-Base interactions energy: -1695.973
where: short stacking energy: -746.605
Base-Backbone interact. energy: 3.291
local terms energy: -749.152426
where:
bonds (distance) C4'-P energy: -129.864
bonds (distance) P-C4' energy: -141.153
flat angles C4'-P-C4' energy: -162.547
flat angles P-C4'-P energy: -108.670
tors. eta vs tors. theta energy: -206.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2230.350370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.350370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.350370 (E_RNA)
where:
Base-Base interactions energy: -1501.380
where: short stacking energy: -657.813
Base-Backbone interact. energy: -2.113
local terms energy: -726.857609
where:
bonds (distance) C4'-P energy: -140.186
bonds (distance) P-C4' energy: -128.440
flat angles C4'-P-C4' energy: -154.731
flat angles P-C4'-P energy: -110.856
tors. eta vs tors. theta energy: -192.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1972.712895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.712895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.712895 (E_RNA)
where:
Base-Base interactions energy: -1329.245
where: short stacking energy: -591.521
Base-Backbone interact. energy: 7.502
local terms energy: -650.969650
where:
bonds (distance) C4'-P energy: -133.913
bonds (distance) P-C4' energy: -128.643
flat angles C4'-P-C4' energy: -129.012
flat angles P-C4'-P energy: -97.773
tors. eta vs tors. theta energy: -161.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1622.900051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.900051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.900051 (E_RNA)
where:
Base-Base interactions energy: -1034.968
where: short stacking energy: -468.165
Base-Backbone interact. energy: -2.317
local terms energy: -585.615188
where:
bonds (distance) C4'-P energy: -128.459
bonds (distance) P-C4' energy: -144.423
flat angles C4'-P-C4' energy: -132.868
flat angles P-C4'-P energy: -85.449
tors. eta vs tors. theta energy: -94.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1321.102190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.102190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.102190 (E_RNA)
where:
Base-Base interactions energy: -830.677
where: short stacking energy: -398.395
Base-Backbone interact. energy: -0.954
local terms energy: -489.471249
where:
bonds (distance) C4'-P energy: -108.036
bonds (distance) P-C4' energy: -119.435
flat angles C4'-P-C4' energy: -107.798
flat angles P-C4'-P energy: -83.030
tors. eta vs tors. theta energy: -71.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -976.896611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.896611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.896611 (E_RNA)
where:
Base-Base interactions energy: -567.408
where: short stacking energy: -307.454
Base-Backbone interact. energy: -1.358
local terms energy: -408.130455
where:
bonds (distance) C4'-P energy: -108.622
bonds (distance) P-C4' energy: -121.909
flat angles C4'-P-C4' energy: -108.073
flat angles P-C4'-P energy: -52.239
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -761.845536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.845536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.845536 (E_RNA)
where:
Base-Base interactions energy: -362.030
where: short stacking energy: -196.390
Base-Backbone interact. energy: 2.888
local terms energy: -402.703904
where:
bonds (distance) C4'-P energy: -97.681
bonds (distance) P-C4' energy: -121.347
flat angles C4'-P-C4' energy: -113.832
flat angles P-C4'-P energy: -69.349
tors. eta vs tors. theta energy: -0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2655.983897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.983897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.983897 (E_RNA)
where:
Base-Base interactions energy: -1825.555
where: short stacking energy: -805.855
Base-Backbone interact. energy: -4.697
local terms energy: -825.731974
where:
bonds (distance) C4'-P energy: -148.482
bonds (distance) P-C4' energy: -144.670
flat angles C4'-P-C4' energy: -177.109
flat angles P-C4'-P energy: -117.291
tors. eta vs tors. theta energy: -238.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2571.392255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.392255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.392255 (E_RNA)
where:
Base-Base interactions energy: -1773.136
where: short stacking energy: -767.167
Base-Backbone interact. energy: -1.387
local terms energy: -796.868898
where:
bonds (distance) C4'-P energy: -137.493
bonds (distance) P-C4' energy: -137.165
flat angles C4'-P-C4' energy: -168.986
flat angles P-C4'-P energy: -108.457
tors. eta vs tors. theta energy: -244.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2500.285129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.285129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.285129 (E_RNA)
where:
Base-Base interactions energy: -1733.459
where: short stacking energy: -766.668
Base-Backbone interact. energy: -4.102
local terms energy: -762.724748
where:
bonds (distance) C4'-P energy: -126.727
bonds (distance) P-C4' energy: -129.205
flat angles C4'-P-C4' energy: -164.322
flat angles P-C4'-P energy: -118.105
tors. eta vs tors. theta energy: -224.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2410.204842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.204842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.204842 (E_RNA)
where:
Base-Base interactions energy: -1675.923
where: short stacking energy: -738.674
Base-Backbone interact. energy: -1.972
local terms energy: -732.309807
where:
bonds (distance) C4'-P energy: -129.818
bonds (distance) P-C4' energy: -141.631
flat angles C4'-P-C4' energy: -159.294
flat angles P-C4'-P energy: -103.157
tors. eta vs tors. theta energy: -198.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2212.057455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.057455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.057455 (E_RNA)
where:
Base-Base interactions energy: -1543.850
where: short stacking energy: -672.749
Base-Backbone interact. energy: -2.974
local terms energy: -665.233465
where:
bonds (distance) C4'-P energy: -117.324
bonds (distance) P-C4' energy: -128.526
flat angles C4'-P-C4' energy: -164.019
flat angles P-C4'-P energy: -86.991
tors. eta vs tors. theta energy: -168.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1977.293346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.293346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.293346 (E_RNA)
where:
Base-Base interactions energy: -1362.998
where: short stacking energy: -586.716
Base-Backbone interact. energy: 2.013
local terms energy: -616.308264
where:
bonds (distance) C4'-P energy: -108.134
bonds (distance) P-C4' energy: -99.670
flat angles C4'-P-C4' energy: -152.745
flat angles P-C4'-P energy: -98.187
tors. eta vs tors. theta energy: -157.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1636.953292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.953292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.953292 (E_RNA)
where:
Base-Base interactions energy: -1080.851
where: short stacking energy: -490.283
Base-Backbone interact. energy: 2.936
local terms energy: -559.037771
where:
bonds (distance) C4'-P energy: -112.552
bonds (distance) P-C4' energy: -115.789
flat angles C4'-P-C4' energy: -148.497
flat angles P-C4'-P energy: -85.075
tors. eta vs tors. theta energy: -97.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1351.164860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.164860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.164860 (E_RNA)
where:
Base-Base interactions energy: -818.294
where: short stacking energy: -407.229
Base-Backbone interact. energy: 0.589
local terms energy: -533.460522
where:
bonds (distance) C4'-P energy: -130.647
bonds (distance) P-C4' energy: -132.184
flat angles C4'-P-C4' energy: -137.206
flat angles P-C4'-P energy: -61.248
tors. eta vs tors. theta energy: -72.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1032.493385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.493385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.493385 (E_RNA)
where:
Base-Base interactions energy: -612.295
where: short stacking energy: -312.496
Base-Backbone interact. energy: -0.245
local terms energy: -419.953309
where:
bonds (distance) C4'-P energy: -108.726
bonds (distance) P-C4' energy: -119.188
flat angles C4'-P-C4' energy: -106.779
flat angles P-C4'-P energy: -68.954
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -782.310587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.310587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.310587 (E_RNA)
where:
Base-Base interactions energy: -420.673
where: short stacking energy: -242.949
Base-Backbone interact. energy: 3.865
local terms energy: -365.502436
where:
bonds (distance) C4'-P energy: -104.831
bonds (distance) P-C4' energy: -119.082
flat angles C4'-P-C4' energy: -95.976
flat angles P-C4'-P energy: -51.743
tors. eta vs tors. theta energy: 6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2648.551592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.551592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.551592 (E_RNA)
where:
Base-Base interactions energy: -1829.330
where: short stacking energy: -802.974
Base-Backbone interact. energy: -2.863
local terms energy: -816.357739
where:
bonds (distance) C4'-P energy: -140.845
bonds (distance) P-C4' energy: -141.101
flat angles C4'-P-C4' energy: -183.826
flat angles P-C4'-P energy: -117.648
tors. eta vs tors. theta energy: -232.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2572.176034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.176034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.176034 (E_RNA)
where:
Base-Base interactions energy: -1784.446
where: short stacking energy: -778.962
Base-Backbone interact. energy: -1.291
local terms energy: -786.439123
where:
bonds (distance) C4'-P energy: -143.512
bonds (distance) P-C4' energy: -138.904
flat angles C4'-P-C4' energy: -164.837
flat angles P-C4'-P energy: -100.025
tors. eta vs tors. theta energy: -239.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2531.476181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.476181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.476181 (E_RNA)
where:
Base-Base interactions energy: -1738.640
where: short stacking energy: -778.175
Base-Backbone interact. energy: -1.627
local terms energy: -791.209825
where:
bonds (distance) C4'-P energy: -140.437
bonds (distance) P-C4' energy: -137.708
flat angles C4'-P-C4' energy: -158.336
flat angles P-C4'-P energy: -105.874
tors. eta vs tors. theta energy: -248.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2403.226443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.226443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.226443 (E_RNA)
where:
Base-Base interactions energy: -1691.205
where: short stacking energy: -708.255
Base-Backbone interact. energy: 0.562
local terms energy: -712.583068
where:
bonds (distance) C4'-P energy: -127.117
bonds (distance) P-C4' energy: -140.724
flat angles C4'-P-C4' energy: -141.009
flat angles P-C4'-P energy: -103.719
tors. eta vs tors. theta energy: -200.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2186.974718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.974718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.974718 (E_RNA)
where:
Base-Base interactions energy: -1508.237
where: short stacking energy: -643.068
Base-Backbone interact. energy: 0.773
local terms energy: -679.510945
where:
bonds (distance) C4'-P energy: -95.479
bonds (distance) P-C4' energy: -140.994
flat angles C4'-P-C4' energy: -152.423
flat angles P-C4'-P energy: -100.965
tors. eta vs tors. theta energy: -189.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1953.970673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.970673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.970673 (E_RNA)
where:
Base-Base interactions energy: -1306.015
where: short stacking energy: -573.661
Base-Backbone interact. energy: -2.259
local terms energy: -645.696775
where:
bonds (distance) C4'-P energy: -126.284
bonds (distance) P-C4' energy: -139.304
flat angles C4'-P-C4' energy: -147.812
flat angles P-C4'-P energy: -77.024
tors. eta vs tors. theta energy: -155.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1674.002798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.002798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.002798 (E_RNA)
where:
Base-Base interactions energy: -1102.175
where: short stacking energy: -477.035
Base-Backbone interact. energy: -4.426
local terms energy: -567.402361
where:
bonds (distance) C4'-P energy: -121.872
bonds (distance) P-C4' energy: -130.774
flat angles C4'-P-C4' energy: -136.636
flat angles P-C4'-P energy: -74.976
tors. eta vs tors. theta energy: -103.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1322.963036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.963036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.963036 (E_RNA)
where:
Base-Base interactions energy: -803.335
where: short stacking energy: -395.894
Base-Backbone interact. energy: -1.069
local terms energy: -518.559837
where:
bonds (distance) C4'-P energy: -93.146
bonds (distance) P-C4' energy: -138.708
flat angles C4'-P-C4' energy: -127.724
flat angles P-C4'-P energy: -83.592
tors. eta vs tors. theta energy: -75.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1045.952134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.952134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.952134 (E_RNA)
where:
Base-Base interactions energy: -582.214
where: short stacking energy: -294.782
Base-Backbone interact. energy: -3.012
local terms energy: -460.726495
where:
bonds (distance) C4'-P energy: -114.603
bonds (distance) P-C4' energy: -123.310
flat angles C4'-P-C4' energy: -129.500
flat angles P-C4'-P energy: -63.438
tors. eta vs tors. theta energy: -29.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -817.941580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.941580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.941580 (E_RNA)
where:
Base-Base interactions energy: -433.632
where: short stacking energy: -232.406
Base-Backbone interact. energy: 0.565
local terms energy: -384.874605
where:
bonds (distance) C4'-P energy: -126.120
bonds (distance) P-C4' energy: -142.920
flat angles C4'-P-C4' energy: -85.535
flat angles P-C4'-P energy: -28.362
tors. eta vs tors. theta energy: -1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2656.470197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.470197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.470197 (E_RNA)
where:
Base-Base interactions energy: -1829.826
where: short stacking energy: -815.045
Base-Backbone interact. energy: -1.381
local terms energy: -825.263127
where:
bonds (distance) C4'-P energy: -149.517
bonds (distance) P-C4' energy: -146.082
flat angles C4'-P-C4' energy: -171.316
flat angles P-C4'-P energy: -112.639
tors. eta vs tors. theta energy: -245.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2555.473594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.473594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.473594 (E_RNA)
where:
Base-Base interactions energy: -1743.899
where: short stacking energy: -743.945
Base-Backbone interact. energy: -1.122
local terms energy: -810.453268
where:
bonds (distance) C4'-P energy: -147.619
bonds (distance) P-C4' energy: -151.102
flat angles C4'-P-C4' energy: -164.056
flat angles P-C4'-P energy: -109.410
tors. eta vs tors. theta energy: -238.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2487.847312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.847312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.847312 (E_RNA)
where:
Base-Base interactions energy: -1706.888
where: short stacking energy: -737.833
Base-Backbone interact. energy: -0.661
local terms energy: -780.297550
where:
bonds (distance) C4'-P energy: -139.358
bonds (distance) P-C4' energy: -133.209
flat angles C4'-P-C4' energy: -172.024
flat angles P-C4'-P energy: -100.128
tors. eta vs tors. theta energy: -235.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2389.280875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.280875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.280875 (E_RNA)
where:
Base-Base interactions energy: -1680.103
where: short stacking energy: -690.081
Base-Backbone interact. energy: -1.687
local terms energy: -707.491623
where:
bonds (distance) C4'-P energy: -120.296
bonds (distance) P-C4' energy: -138.676
flat angles C4'-P-C4' energy: -150.834
flat angles P-C4'-P energy: -109.322
tors. eta vs tors. theta energy: -188.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2206.594405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.594405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.594405 (E_RNA)
where:
Base-Base interactions energy: -1545.003
where: short stacking energy: -641.645
Base-Backbone interact. energy: -1.312
local terms energy: -660.279118
where:
bonds (distance) C4'-P energy: -124.387
bonds (distance) P-C4' energy: -123.975
flat angles C4'-P-C4' energy: -145.966
flat angles P-C4'-P energy: -97.719
tors. eta vs tors. theta energy: -168.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1918.043567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.043567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.043567 (E_RNA)
where:
Base-Base interactions energy: -1295.966
where: short stacking energy: -543.483
Base-Backbone interact. energy: -3.219
local terms energy: -618.858138
where:
bonds (distance) C4'-P energy: -122.532
bonds (distance) P-C4' energy: -126.487
flat angles C4'-P-C4' energy: -138.135
flat angles P-C4'-P energy: -91.856
tors. eta vs tors. theta energy: -139.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1688.479255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.479255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.479255 (E_RNA)
where:
Base-Base interactions energy: -1097.210
where: short stacking energy: -477.593
Base-Backbone interact. energy: -4.436
local terms energy: -586.832704
where:
bonds (distance) C4'-P energy: -119.599
bonds (distance) P-C4' energy: -134.150
flat angles C4'-P-C4' energy: -143.792
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -111.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1306.978322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.978322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.978322 (E_RNA)
where:
Base-Base interactions energy: -801.982
where: short stacking energy: -404.456
Base-Backbone interact. energy: 6.550
local terms energy: -511.546241
where:
bonds (distance) C4'-P energy: -111.331
bonds (distance) P-C4' energy: -122.723
flat angles C4'-P-C4' energy: -138.910
flat angles P-C4'-P energy: -72.008
tors. eta vs tors. theta energy: -66.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1110.075396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.075396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.075396 (E_RNA)
where:
Base-Base interactions energy: -667.703
where: short stacking energy: -303.998
Base-Backbone interact. energy: 1.135
local terms energy: -443.507500
where:
bonds (distance) C4'-P energy: -104.583
bonds (distance) P-C4' energy: -122.773
flat angles C4'-P-C4' energy: -118.182
flat angles P-C4'-P energy: -51.933
tors. eta vs tors. theta energy: -46.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -820.083413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.083413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.083413 (E_RNA)
where:
Base-Base interactions energy: -414.378
where: short stacking energy: -230.193
Base-Backbone interact. energy: 1.452
local terms energy: -407.158319
where:
bonds (distance) C4'-P energy: -111.662
bonds (distance) P-C4' energy: -129.639
flat angles C4'-P-C4' energy: -91.215
flat angles P-C4'-P energy: -75.226
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2622.649430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.649430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.649430 (E_RNA)
where:
Base-Base interactions energy: -1795.678
where: short stacking energy: -798.580
Base-Backbone interact. energy: -1.977
local terms energy: -824.994188
where:
bonds (distance) C4'-P energy: -143.040
bonds (distance) P-C4' energy: -150.967
flat angles C4'-P-C4' energy: -177.635
flat angles P-C4'-P energy: -113.995
tors. eta vs tors. theta energy: -239.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2592.372056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.372056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.372056 (E_RNA)
where:
Base-Base interactions energy: -1786.678
where: short stacking energy: -761.719
Base-Backbone interact. energy: -3.459
local terms energy: -802.234202
where:
bonds (distance) C4'-P energy: -151.755
bonds (distance) P-C4' energy: -147.709
flat angles C4'-P-C4' energy: -165.677
flat angles P-C4'-P energy: -106.217
tors. eta vs tors. theta energy: -230.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2473.372665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.372665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.372665 (E_RNA)
where:
Base-Base interactions energy: -1712.573
where: short stacking energy: -741.706
Base-Backbone interact. energy: -2.130
local terms energy: -758.670337
where:
bonds (distance) C4'-P energy: -133.288
bonds (distance) P-C4' energy: -147.078
flat angles C4'-P-C4' energy: -146.845
flat angles P-C4'-P energy: -104.801
tors. eta vs tors. theta energy: -226.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2379.165275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.165275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.165275 (E_RNA)
where:
Base-Base interactions energy: -1638.042
where: short stacking energy: -680.750
Base-Backbone interact. energy: -4.802
local terms energy: -736.321040
where:
bonds (distance) C4'-P energy: -142.518
bonds (distance) P-C4' energy: -145.654
flat angles C4'-P-C4' energy: -159.105
flat angles P-C4'-P energy: -99.805
tors. eta vs tors. theta energy: -189.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2199.126316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.126316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.126316 (E_RNA)
where:
Base-Base interactions energy: -1515.226
where: short stacking energy: -640.415
Base-Backbone interact. energy: -2.212
local terms energy: -681.688159
where:
bonds (distance) C4'-P energy: -134.811
bonds (distance) P-C4' energy: -118.889
flat angles C4'-P-C4' energy: -155.908
flat angles P-C4'-P energy: -89.191
tors. eta vs tors. theta energy: -182.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1914.450547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.450547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.450547 (E_RNA)
where:
Base-Base interactions energy: -1295.577
where: short stacking energy: -525.764
Base-Backbone interact. energy: -2.394
local terms energy: -616.479261
where:
bonds (distance) C4'-P energy: -128.108
bonds (distance) P-C4' energy: -115.311
flat angles C4'-P-C4' energy: -142.177
flat angles P-C4'-P energy: -94.022
tors. eta vs tors. theta energy: -136.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1683.465896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.465896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.465896 (E_RNA)
where:
Base-Base interactions energy: -1124.306
where: short stacking energy: -489.845
Base-Backbone interact. energy: -1.090
local terms energy: -558.070119
where:
bonds (distance) C4'-P energy: -118.436
bonds (distance) P-C4' energy: -118.027
flat angles C4'-P-C4' energy: -135.717
flat angles P-C4'-P energy: -77.725
tors. eta vs tors. theta energy: -108.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1270.856046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.856046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.856046 (E_RNA)
where:
Base-Base interactions energy: -750.926
where: short stacking energy: -365.758
Base-Backbone interact. energy: 1.878
local terms energy: -521.808526
where:
bonds (distance) C4'-P energy: -120.372
bonds (distance) P-C4' energy: -126.086
flat angles C4'-P-C4' energy: -119.939
flat angles P-C4'-P energy: -77.731
tors. eta vs tors. theta energy: -77.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1097.534861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.534861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.534861 (E_RNA)
where:
Base-Base interactions energy: -626.046
where: short stacking energy: -332.516
Base-Backbone interact. energy: 3.125
local terms energy: -474.614020
where:
bonds (distance) C4'-P energy: -107.574
bonds (distance) P-C4' energy: -136.744
flat angles C4'-P-C4' energy: -111.075
flat angles P-C4'-P energy: -71.720
tors. eta vs tors. theta energy: -47.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -855.246087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.246087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.246087 (E_RNA)
where:
Base-Base interactions energy: -455.076
where: short stacking energy: -243.982
Base-Backbone interact. energy: 1.625
local terms energy: -401.795986
where:
bonds (distance) C4'-P energy: -109.609
bonds (distance) P-C4' energy: -112.344
flat angles C4'-P-C4' energy: -102.876
flat angles P-C4'-P energy: -63.240
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2642.283181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.283181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.283181 (E_RNA)
where:
Base-Base interactions energy: -1789.628
where: short stacking energy: -797.300
Base-Backbone interact. energy: -2.903
local terms energy: -849.751915
where:
bonds (distance) C4'-P energy: -151.961
bonds (distance) P-C4' energy: -154.332
flat angles C4'-P-C4' energy: -176.871
flat angles P-C4'-P energy: -125.204
tors. eta vs tors. theta energy: -241.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2563.144381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.144381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.144381 (E_RNA)
where:
Base-Base interactions energy: -1753.195
where: short stacking energy: -746.278
Base-Backbone interact. energy: -3.565
local terms energy: -806.384273
where:
bonds (distance) C4'-P energy: -149.448
bonds (distance) P-C4' energy: -131.995
flat angles C4'-P-C4' energy: -169.646
flat angles P-C4'-P energy: -117.622
tors. eta vs tors. theta energy: -237.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2466.608099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.608099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.608099 (E_RNA)
where:
Base-Base interactions energy: -1711.707
where: short stacking energy: -744.024
Base-Backbone interact. energy: -6.135
local terms energy: -748.766572
where:
bonds (distance) C4'-P energy: -135.033
bonds (distance) P-C4' energy: -133.415
flat angles C4'-P-C4' energy: -163.011
flat angles P-C4'-P energy: -92.561
tors. eta vs tors. theta energy: -224.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2366.060452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.060452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.060452 (E_RNA)
where:
Base-Base interactions energy: -1635.438
where: short stacking energy: -674.483
Base-Backbone interact. energy: -0.492
local terms energy: -730.130000
where:
bonds (distance) C4'-P energy: -133.991
bonds (distance) P-C4' energy: -134.888
flat angles C4'-P-C4' energy: -155.212
flat angles P-C4'-P energy: -115.792
tors. eta vs tors. theta energy: -190.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2240.382509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.382509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.382509 (E_RNA)
where:
Base-Base interactions energy: -1529.823
where: short stacking energy: -627.982
Base-Backbone interact. energy: -2.120
local terms energy: -708.439064
where:
bonds (distance) C4'-P energy: -143.470
bonds (distance) P-C4' energy: -138.562
flat angles C4'-P-C4' energy: -153.191
flat angles P-C4'-P energy: -105.689
tors. eta vs tors. theta energy: -167.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1841.414806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.414806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.414806 (E_RNA)
where:
Base-Base interactions energy: -1255.860
where: short stacking energy: -520.416
Base-Backbone interact. energy: 3.830
local terms energy: -589.384499
where:
bonds (distance) C4'-P energy: -114.239
bonds (distance) P-C4' energy: -136.142
flat angles C4'-P-C4' energy: -133.023
flat angles P-C4'-P energy: -69.530
tors. eta vs tors. theta energy: -136.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1672.082340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.082340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.082340 (E_RNA)
where:
Base-Base interactions energy: -1084.162
where: short stacking energy: -511.280
Base-Backbone interact. energy: -2.401
local terms energy: -585.518979
where:
bonds (distance) C4'-P energy: -127.275
bonds (distance) P-C4' energy: -138.052
flat angles C4'-P-C4' energy: -126.957
flat angles P-C4'-P energy: -81.721
tors. eta vs tors. theta energy: -111.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1271.077593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.077593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.077593 (E_RNA)
where:
Base-Base interactions energy: -771.335
where: short stacking energy: -376.912
Base-Backbone interact. energy: 4.522
local terms energy: -504.264584
where:
bonds (distance) C4'-P energy: -116.715
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -108.159
flat angles P-C4'-P energy: -85.789
tors. eta vs tors. theta energy: -81.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1017.679993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.679993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.679993 (E_RNA)
where:
Base-Base interactions energy: -597.320
where: short stacking energy: -297.075
Base-Backbone interact. energy: -0.349
local terms energy: -420.010957
where:
bonds (distance) C4'-P energy: -97.141
bonds (distance) P-C4' energy: -115.868
flat angles C4'-P-C4' energy: -105.090
flat angles P-C4'-P energy: -72.304
tors. eta vs tors. theta energy: -29.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -783.899150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.899150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.899150 (E_RNA)
where:
Base-Base interactions energy: -401.459
where: short stacking energy: -214.679
Base-Backbone interact. energy: -1.951
local terms energy: -380.489141
where:
bonds (distance) C4'-P energy: -115.555
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -84.120
flat angles P-C4'-P energy: -65.537
tors. eta vs tors. theta energy: 14.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2635.950643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.950643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.950643 (E_RNA)
where:
Base-Base interactions energy: -1814.915
where: short stacking energy: -800.109
Base-Backbone interact. energy: -2.491
local terms energy: -818.544714
where:
bonds (distance) C4'-P energy: -145.134
bonds (distance) P-C4' energy: -149.349
flat angles C4'-P-C4' energy: -183.335
flat angles P-C4'-P energy: -111.092
tors. eta vs tors. theta energy: -229.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2554.350526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.350526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.350526 (E_RNA)
where:
Base-Base interactions energy: -1775.878
where: short stacking energy: -743.686
Base-Backbone interact. energy: -3.588
local terms energy: -774.884731
where:
bonds (distance) C4'-P energy: -130.994
bonds (distance) P-C4' energy: -144.232
flat angles C4'-P-C4' energy: -159.123
flat angles P-C4'-P energy: -104.026
tors. eta vs tors. theta energy: -236.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2474.897216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.897216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.897216 (E_RNA)
where:
Base-Base interactions energy: -1698.923
where: short stacking energy: -764.393
Base-Backbone interact. energy: -2.080
local terms energy: -773.894370
where:
bonds (distance) C4'-P energy: -133.443
bonds (distance) P-C4' energy: -150.232
flat angles C4'-P-C4' energy: -160.703
flat angles P-C4'-P energy: -97.873
tors. eta vs tors. theta energy: -231.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2350.786307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.786307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.786307 (E_RNA)
where:
Base-Base interactions energy: -1657.802
where: short stacking energy: -717.059
Base-Backbone interact. energy: 1.849
local terms energy: -694.833033
where:
bonds (distance) C4'-P energy: -115.997
bonds (distance) P-C4' energy: -141.197
flat angles C4'-P-C4' energy: -152.301
flat angles P-C4'-P energy: -100.065
tors. eta vs tors. theta energy: -185.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2210.708507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.708507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.708507 (E_RNA)
where:
Base-Base interactions energy: -1541.558
where: short stacking energy: -651.429
Base-Backbone interact. energy: -1.443
local terms energy: -667.706681
where:
bonds (distance) C4'-P energy: -132.026
bonds (distance) P-C4' energy: -118.894
flat angles C4'-P-C4' energy: -144.655
flat angles P-C4'-P energy: -86.561
tors. eta vs tors. theta energy: -185.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1858.538271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.538271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.538271 (E_RNA)
where:
Base-Base interactions energy: -1250.049
where: short stacking energy: -520.156
Base-Backbone interact. energy: 2.421
local terms energy: -610.910194
where:
bonds (distance) C4'-P energy: -120.552
bonds (distance) P-C4' energy: -135.159
flat angles C4'-P-C4' energy: -148.939
flat angles P-C4'-P energy: -76.694
tors. eta vs tors. theta energy: -129.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1678.763733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.763733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.763733 (E_RNA)
where:
Base-Base interactions energy: -1102.038
where: short stacking energy: -476.638
Base-Backbone interact. energy: 1.309
local terms energy: -578.034991
where:
bonds (distance) C4'-P energy: -120.184
bonds (distance) P-C4' energy: -129.412
flat angles C4'-P-C4' energy: -148.250
flat angles P-C4'-P energy: -79.552
tors. eta vs tors. theta energy: -100.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1246.833681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.833681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.833681 (E_RNA)
where:
Base-Base interactions energy: -746.312
where: short stacking energy: -340.021
Base-Backbone interact. energy: 0.645
local terms energy: -501.167606
where:
bonds (distance) C4'-P energy: -106.765
bonds (distance) P-C4' energy: -135.831
flat angles C4'-P-C4' energy: -134.340
flat angles P-C4'-P energy: -80.876
tors. eta vs tors. theta energy: -43.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1045.109212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.109212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.109212 (E_RNA)
where:
Base-Base interactions energy: -609.098
where: short stacking energy: -289.908
Base-Backbone interact. energy: 5.683
local terms energy: -441.694418
where:
bonds (distance) C4'-P energy: -101.271
bonds (distance) P-C4' energy: -133.760
flat angles C4'-P-C4' energy: -103.924
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -36.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -809.533021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.533021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.533021 (E_RNA)
where:
Base-Base interactions energy: -368.827
where: short stacking energy: -206.470
Base-Backbone interact. energy: -3.280
local terms energy: -437.426234
where:
bonds (distance) C4'-P energy: -121.503
bonds (distance) P-C4' energy: -128.910
flat angles C4'-P-C4' energy: -107.309
flat angles P-C4'-P energy: -78.106
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2648.172045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.172045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.172045 (E_RNA)
where:
Base-Base interactions energy: -1823.430
where: short stacking energy: -793.290
Base-Backbone interact. energy: -2.046
local terms energy: -822.695890
where:
bonds (distance) C4'-P energy: -147.931
bonds (distance) P-C4' energy: -141.843
flat angles C4'-P-C4' energy: -172.736
flat angles P-C4'-P energy: -129.016
tors. eta vs tors. theta energy: -231.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2563.359517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.359517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.359517 (E_RNA)
where:
Base-Base interactions energy: -1756.827
where: short stacking energy: -743.631
Base-Backbone interact. energy: -3.114
local terms energy: -803.418967
where:
bonds (distance) C4'-P energy: -147.131
bonds (distance) P-C4' energy: -137.620
flat angles C4'-P-C4' energy: -176.951
flat angles P-C4'-P energy: -112.936
tors. eta vs tors. theta energy: -228.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2487.421987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.421987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.421987 (E_RNA)
where:
Base-Base interactions energy: -1721.586
where: short stacking energy: -780.084
Base-Backbone interact. energy: -3.637
local terms energy: -762.198893
where:
bonds (distance) C4'-P energy: -130.837
bonds (distance) P-C4' energy: -128.693
flat angles C4'-P-C4' energy: -151.650
flat angles P-C4'-P energy: -111.299
tors. eta vs tors. theta energy: -239.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2345.370174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.370174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.370174 (E_RNA)
where:
Base-Base interactions energy: -1637.363
where: short stacking energy: -699.187
Base-Backbone interact. energy: -1.408
local terms energy: -706.598679
where:
bonds (distance) C4'-P energy: -128.557
bonds (distance) P-C4' energy: -142.200
flat angles C4'-P-C4' energy: -144.204
flat angles P-C4'-P energy: -107.065
tors. eta vs tors. theta energy: -184.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2265.796396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.796396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.796396 (E_RNA)
where:
Base-Base interactions energy: -1584.139
where: short stacking energy: -651.690
Base-Backbone interact. energy: -4.148
local terms energy: -677.509349
where:
bonds (distance) C4'-P energy: -128.626
bonds (distance) P-C4' energy: -125.789
flat angles C4'-P-C4' energy: -145.764
flat angles P-C4'-P energy: -95.027
tors. eta vs tors. theta energy: -182.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1828.828326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.828326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.828326 (E_RNA)
where:
Base-Base interactions energy: -1217.350
where: short stacking energy: -536.834
Base-Backbone interact. energy: -2.326
local terms energy: -609.151816
where:
bonds (distance) C4'-P energy: -129.832
bonds (distance) P-C4' energy: -130.724
flat angles C4'-P-C4' energy: -129.613
flat angles P-C4'-P energy: -87.581
tors. eta vs tors. theta energy: -131.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1727.875544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.875544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.875544 (E_RNA)
where:
Base-Base interactions energy: -1117.095
where: short stacking energy: -487.969
Base-Backbone interact. energy: -0.892
local terms energy: -609.888983
where:
bonds (distance) C4'-P energy: -125.090
bonds (distance) P-C4' energy: -145.661
flat angles C4'-P-C4' energy: -153.725
flat angles P-C4'-P energy: -91.426
tors. eta vs tors. theta energy: -93.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1238.687530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.687530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.687530 (E_RNA)
where:
Base-Base interactions energy: -753.581
where: short stacking energy: -376.359
Base-Backbone interact. energy: -2.892
local terms energy: -482.214263
where:
bonds (distance) C4'-P energy: -91.243
bonds (distance) P-C4' energy: -126.603
flat angles C4'-P-C4' energy: -119.342
flat angles P-C4'-P energy: -77.170
tors. eta vs tors. theta energy: -67.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1151.831985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.831985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.831985 (E_RNA)
where:
Base-Base interactions energy: -718.376
where: short stacking energy: -351.046
Base-Backbone interact. energy: -0.394
local terms energy: -433.061849
where:
bonds (distance) C4'-P energy: -102.199
bonds (distance) P-C4' energy: -110.503
flat angles C4'-P-C4' energy: -109.664
flat angles P-C4'-P energy: -60.377
tors. eta vs tors. theta energy: -50.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -822.543373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.543373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.543373 (E_RNA)
where:
Base-Base interactions energy: -429.176
where: short stacking energy: -217.315
Base-Backbone interact. energy: -0.774
local terms energy: -392.593556
where:
bonds (distance) C4'-P energy: -84.055
bonds (distance) P-C4' energy: -128.153
flat angles C4'-P-C4' energy: -124.170
flat angles P-C4'-P energy: -63.771
tors. eta vs tors. theta energy: 7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2673.949241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.949241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.949241 (E_RNA)
where:
Base-Base interactions energy: -1838.777
where: short stacking energy: -808.448
Base-Backbone interact. energy: -1.163
local terms energy: -834.009562
where:
bonds (distance) C4'-P energy: -151.186
bonds (distance) P-C4' energy: -141.632
flat angles C4'-P-C4' energy: -177.169
flat angles P-C4'-P energy: -122.464
tors. eta vs tors. theta energy: -241.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2578.882553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.882553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.882553 (E_RNA)
where:
Base-Base interactions energy: -1775.555
where: short stacking energy: -800.852
Base-Backbone interact. energy: -2.528
local terms energy: -800.799622
where:
bonds (distance) C4'-P energy: -145.866
bonds (distance) P-C4' energy: -129.129
flat angles C4'-P-C4' energy: -169.945
flat angles P-C4'-P energy: -109.562
tors. eta vs tors. theta energy: -246.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2497.058266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.058266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.058266 (E_RNA)
where:
Base-Base interactions energy: -1714.705
where: short stacking energy: -765.740
Base-Backbone interact. energy: -0.584
local terms energy: -781.769018
where:
bonds (distance) C4'-P energy: -150.163
bonds (distance) P-C4' energy: -120.304
flat angles C4'-P-C4' energy: -158.697
flat angles P-C4'-P energy: -123.691
tors. eta vs tors. theta energy: -228.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2374.111227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.111227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.111227 (E_RNA)
where:
Base-Base interactions energy: -1675.936
where: short stacking energy: -689.081
Base-Backbone interact. energy: -0.146
local terms energy: -698.029705
where:
bonds (distance) C4'-P energy: -129.933
bonds (distance) P-C4' energy: -136.562
flat angles C4'-P-C4' energy: -156.799
flat angles P-C4'-P energy: -90.202
tors. eta vs tors. theta energy: -184.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2281.509903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.509903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.509903 (E_RNA)
where:
Base-Base interactions energy: -1548.967
where: short stacking energy: -666.135
Base-Backbone interact. energy: -6.640
local terms energy: -725.902223
where:
bonds (distance) C4'-P energy: -122.634
bonds (distance) P-C4' energy: -144.879
flat angles C4'-P-C4' energy: -160.371
flat angles P-C4'-P energy: -98.663
tors. eta vs tors. theta energy: -199.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1859.871842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.871842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.871842 (E_RNA)
where:
Base-Base interactions energy: -1232.353
where: short stacking energy: -562.982
Base-Backbone interact. energy: -4.542
local terms energy: -622.976592
where:
bonds (distance) C4'-P energy: -108.797
bonds (distance) P-C4' energy: -119.203
flat angles C4'-P-C4' energy: -140.282
flat angles P-C4'-P energy: -105.873
tors. eta vs tors. theta energy: -148.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1697.072995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.072995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.072995 (E_RNA)
where:
Base-Base interactions energy: -1106.559
where: short stacking energy: -486.607
Base-Backbone interact. energy: 2.889
local terms energy: -593.402677
where:
bonds (distance) C4'-P energy: -134.623
bonds (distance) P-C4' energy: -128.369
flat angles C4'-P-C4' energy: -139.656
flat angles P-C4'-P energy: -76.631
tors. eta vs tors. theta energy: -114.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1263.639791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.639791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.639791 (E_RNA)
where:
Base-Base interactions energy: -769.677
where: short stacking energy: -394.515
Base-Backbone interact. energy: -1.146
local terms energy: -492.816693
where:
bonds (distance) C4'-P energy: -130.470
bonds (distance) P-C4' energy: -143.221
flat angles C4'-P-C4' energy: -113.251
flat angles P-C4'-P energy: -56.980
tors. eta vs tors. theta energy: -48.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1137.198201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.198201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.198201 (E_RNA)
where:
Base-Base interactions energy: -695.094
where: short stacking energy: -331.080
Base-Backbone interact. energy: -1.446
local terms energy: -440.658539
where:
bonds (distance) C4'-P energy: -80.156
bonds (distance) P-C4' energy: -120.118
flat angles C4'-P-C4' energy: -124.749
flat angles P-C4'-P energy: -84.045
tors. eta vs tors. theta energy: -31.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -867.823115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.823115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.823115 (E_RNA)
where:
Base-Base interactions energy: -472.671
where: short stacking energy: -262.565
Base-Backbone interact. energy: 3.633
local terms energy: -398.784708
where:
bonds (distance) C4'-P energy: -123.537
bonds (distance) P-C4' energy: -107.353
flat angles C4'-P-C4' energy: -104.888
flat angles P-C4'-P energy: -55.338
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2685.057650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.057650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.057650 (E_RNA)
where:
Base-Base interactions energy: -1856.168
where: short stacking energy: -821.449
Base-Backbone interact. energy: -1.082
local terms energy: -827.807817
where:
bonds (distance) C4'-P energy: -145.731
bonds (distance) P-C4' energy: -145.201
flat angles C4'-P-C4' energy: -174.573
flat angles P-C4'-P energy: -119.624
tors. eta vs tors. theta energy: -242.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2566.985590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.985590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.985590 (E_RNA)
where:
Base-Base interactions energy: -1773.782
where: short stacking energy: -765.034
Base-Backbone interact. energy: 5.324
local terms energy: -798.527553
where:
bonds (distance) C4'-P energy: -136.728
bonds (distance) P-C4' energy: -150.394
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -110.858
tors. eta vs tors. theta energy: -241.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2462.822447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.822447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.822447 (E_RNA)
where:
Base-Base interactions energy: -1681.171
where: short stacking energy: -743.510
Base-Backbone interact. energy: -3.393
local terms energy: -778.258401
where:
bonds (distance) C4'-P energy: -132.253
bonds (distance) P-C4' energy: -148.765
flat angles C4'-P-C4' energy: -170.338
flat angles P-C4'-P energy: -107.144
tors. eta vs tors. theta energy: -219.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2389.283888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.283888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.283888 (E_RNA)
where:
Base-Base interactions energy: -1665.253
where: short stacking energy: -711.061
Base-Backbone interact. energy: -5.088
local terms energy: -718.943380
where:
bonds (distance) C4'-P energy: -124.667
bonds (distance) P-C4' energy: -134.383
flat angles C4'-P-C4' energy: -161.106
flat angles P-C4'-P energy: -104.525
tors. eta vs tors. theta energy: -194.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2183.533533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.533533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.533533 (E_RNA)
where:
Base-Base interactions energy: -1523.908
where: short stacking energy: -624.858
Base-Backbone interact. energy: -2.541
local terms energy: -657.085435
where:
bonds (distance) C4'-P energy: -127.095
bonds (distance) P-C4' energy: -131.283
flat angles C4'-P-C4' energy: -146.461
flat angles P-C4'-P energy: -92.956
tors. eta vs tors. theta energy: -159.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1863.834345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.834345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.834345 (E_RNA)
where:
Base-Base interactions energy: -1234.106
where: short stacking energy: -530.066
Base-Backbone interact. energy: -2.066
local terms energy: -627.662530
where:
bonds (distance) C4'-P energy: -125.731
bonds (distance) P-C4' energy: -125.202
flat angles C4'-P-C4' energy: -146.428
flat angles P-C4'-P energy: -87.853
tors. eta vs tors. theta energy: -142.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1714.765356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.765356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.765356 (E_RNA)
where:
Base-Base interactions energy: -1134.535
where: short stacking energy: -522.389
Base-Backbone interact. energy: -1.163
local terms energy: -579.067220
where:
bonds (distance) C4'-P energy: -116.417
bonds (distance) P-C4' energy: -125.567
flat angles C4'-P-C4' energy: -139.072
flat angles P-C4'-P energy: -79.219
tors. eta vs tors. theta energy: -118.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1301.372458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.372458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.372458 (E_RNA)
where:
Base-Base interactions energy: -812.956
where: short stacking energy: -384.195
Base-Backbone interact. energy: -2.414
local terms energy: -486.002201
where:
bonds (distance) C4'-P energy: -109.002
bonds (distance) P-C4' energy: -126.933
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -83.030
tors. eta vs tors. theta energy: -66.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1112.315639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.315639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.315639 (E_RNA)
where:
Base-Base interactions energy: -637.351
where: short stacking energy: -319.221
Base-Backbone interact. energy: -0.793
local terms energy: -474.171533
where:
bonds (distance) C4'-P energy: -115.499
bonds (distance) P-C4' energy: -134.974
flat angles C4'-P-C4' energy: -125.152
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -50.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -817.826715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.826715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.826715 (E_RNA)
where:
Base-Base interactions energy: -395.117
where: short stacking energy: -216.746
Base-Backbone interact. energy: -2.242
local terms energy: -420.467936
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -133.319
flat angles C4'-P-C4' energy: -102.793
flat angles P-C4'-P energy: -58.000
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2652.530934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.530934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.530934 (E_RNA)
where:
Base-Base interactions energy: -1832.894
where: short stacking energy: -806.338
Base-Backbone interact. energy: -1.433
local terms energy: -818.203516
where:
bonds (distance) C4'-P energy: -150.347
bonds (distance) P-C4' energy: -145.294
flat angles C4'-P-C4' energy: -166.271
flat angles P-C4'-P energy: -115.673
tors. eta vs tors. theta energy: -240.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2566.258452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.258452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.258452 (E_RNA)
where:
Base-Base interactions energy: -1750.421
where: short stacking energy: -766.522
Base-Backbone interact. energy: -5.260
local terms energy: -810.578112
where:
bonds (distance) C4'-P energy: -157.534
bonds (distance) P-C4' energy: -146.742
flat angles C4'-P-C4' energy: -150.955
flat angles P-C4'-P energy: -119.629
tors. eta vs tors. theta energy: -235.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2519.886384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.886384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.886384 (E_RNA)
where:
Base-Base interactions energy: -1734.406
where: short stacking energy: -732.676
Base-Backbone interact. energy: -7.656
local terms energy: -777.823543
where:
bonds (distance) C4'-P energy: -145.377
bonds (distance) P-C4' energy: -148.395
flat angles C4'-P-C4' energy: -172.861
flat angles P-C4'-P energy: -99.971
tors. eta vs tors. theta energy: -211.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2379.397463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.397463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.397463 (E_RNA)
where:
Base-Base interactions energy: -1639.270
where: short stacking energy: -741.522
Base-Backbone interact. energy: -2.946
local terms energy: -737.180811
where:
bonds (distance) C4'-P energy: -124.109
bonds (distance) P-C4' energy: -134.652
flat angles C4'-P-C4' energy: -165.699
flat angles P-C4'-P energy: -86.666
tors. eta vs tors. theta energy: -226.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2240.637068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.637068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.637068 (E_RNA)
where:
Base-Base interactions energy: -1567.152
where: short stacking energy: -671.419
Base-Backbone interact. energy: 3.504
local terms energy: -676.989552
where:
bonds (distance) C4'-P energy: -124.036
bonds (distance) P-C4' energy: -112.446
flat angles C4'-P-C4' energy: -146.917
flat angles P-C4'-P energy: -107.928
tors. eta vs tors. theta energy: -185.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1879.993248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.993248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.993248 (E_RNA)
where:
Base-Base interactions energy: -1284.259
where: short stacking energy: -555.640
Base-Backbone interact. energy: 2.583
local terms energy: -598.318029
where:
bonds (distance) C4'-P energy: -117.773
bonds (distance) P-C4' energy: -118.758
flat angles C4'-P-C4' energy: -123.603
flat angles P-C4'-P energy: -96.437
tors. eta vs tors. theta energy: -141.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1673.246472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.246472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.246472 (E_RNA)
where:
Base-Base interactions energy: -1088.015
where: short stacking energy: -476.479
Base-Backbone interact. energy: -2.016
local terms energy: -583.214904
where:
bonds (distance) C4'-P energy: -116.448
bonds (distance) P-C4' energy: -129.694
flat angles C4'-P-C4' energy: -139.070
flat angles P-C4'-P energy: -90.948
tors. eta vs tors. theta energy: -107.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1261.293397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.293397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.293397 (E_RNA)
where:
Base-Base interactions energy: -750.712
where: short stacking energy: -394.746
Base-Backbone interact. energy: 1.869
local terms energy: -512.450130
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -133.494
flat angles C4'-P-C4' energy: -126.607
flat angles P-C4'-P energy: -59.343
tors. eta vs tors. theta energy: -75.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1209.537342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.537342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.537342 (E_RNA)
where:
Base-Base interactions energy: -743.424
where: short stacking energy: -359.282
Base-Backbone interact. energy: 2.683
local terms energy: -468.796706
where:
bonds (distance) C4'-P energy: -103.359
bonds (distance) P-C4' energy: -120.012
flat angles C4'-P-C4' energy: -113.565
flat angles P-C4'-P energy: -84.121
tors. eta vs tors. theta energy: -47.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -816.813103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.813103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.813103 (E_RNA)
where:
Base-Base interactions energy: -439.853
where: short stacking energy: -234.153
Base-Backbone interact. energy: -1.540
local terms energy: -375.419212
where:
bonds (distance) C4'-P energy: -100.757
bonds (distance) P-C4' energy: -116.584
flat angles C4'-P-C4' energy: -87.521
flat angles P-C4'-P energy: -52.703
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2677.058129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.058129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.058129 (E_RNA)
where:
Base-Base interactions energy: -1869.047
where: short stacking energy: -826.868
Base-Backbone interact. energy: -2.615
local terms energy: -805.395511
where:
bonds (distance) C4'-P energy: -142.825
bonds (distance) P-C4' energy: -134.499
flat angles C4'-P-C4' energy: -169.880
flat angles P-C4'-P energy: -115.457
tors. eta vs tors. theta energy: -242.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2548.237374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.237374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.237374 (E_RNA)
where:
Base-Base interactions energy: -1760.153
where: short stacking energy: -760.442
Base-Backbone interact. energy: -3.060
local terms energy: -785.025206
where:
bonds (distance) C4'-P energy: -144.715
bonds (distance) P-C4' energy: -141.557
flat angles C4'-P-C4' energy: -158.111
flat angles P-C4'-P energy: -112.301
tors. eta vs tors. theta energy: -228.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2414.907397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.907397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.907397 (E_RNA)
where:
Base-Base interactions energy: -1685.372
where: short stacking energy: -708.398
Base-Backbone interact. energy: -0.738
local terms energy: -728.797881
where:
bonds (distance) C4'-P energy: -132.875
bonds (distance) P-C4' energy: -127.685
flat angles C4'-P-C4' energy: -158.242
flat angles P-C4'-P energy: -111.276
tors. eta vs tors. theta energy: -198.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2405.846722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.846722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.846722 (E_RNA)
where:
Base-Base interactions energy: -1644.362
where: short stacking energy: -729.444
Base-Backbone interact. energy: 2.417
local terms energy: -763.902140
where:
bonds (distance) C4'-P energy: -141.028
bonds (distance) P-C4' energy: -136.699
flat angles C4'-P-C4' energy: -153.993
flat angles P-C4'-P energy: -105.011
tors. eta vs tors. theta energy: -227.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2213.594602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.594602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.594602 (E_RNA)
where:
Base-Base interactions energy: -1489.676
where: short stacking energy: -626.052
Base-Backbone interact. energy: -3.938
local terms energy: -719.981188
where:
bonds (distance) C4'-P energy: -127.429
bonds (distance) P-C4' energy: -131.195
flat angles C4'-P-C4' energy: -163.879
flat angles P-C4'-P energy: -111.166
tors. eta vs tors. theta energy: -186.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1913.669515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.669515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.669515 (E_RNA)
where:
Base-Base interactions energy: -1278.546
where: short stacking energy: -571.677
Base-Backbone interact. energy: -2.443
local terms energy: -632.680434
where:
bonds (distance) C4'-P energy: -118.622
bonds (distance) P-C4' energy: -137.143
flat angles C4'-P-C4' energy: -133.158
flat angles P-C4'-P energy: -85.736
tors. eta vs tors. theta energy: -158.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1691.882506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.882506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.882506 (E_RNA)
where:
Base-Base interactions energy: -1140.471
where: short stacking energy: -485.584
Base-Backbone interact. energy: 0.804
local terms energy: -552.215555
where:
bonds (distance) C4'-P energy: -99.562
bonds (distance) P-C4' energy: -124.840
flat angles C4'-P-C4' energy: -135.257
flat angles P-C4'-P energy: -92.614
tors. eta vs tors. theta energy: -99.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1295.156045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.156045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.156045 (E_RNA)
where:
Base-Base interactions energy: -805.257
where: short stacking energy: -399.001
Base-Backbone interact. energy: -3.161
local terms energy: -486.738291
where:
bonds (distance) C4'-P energy: -113.789
bonds (distance) P-C4' energy: -116.419
flat angles C4'-P-C4' energy: -112.889
flat angles P-C4'-P energy: -76.125
tors. eta vs tors. theta energy: -67.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1236.800908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.800908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.800908 (E_RNA)
where:
Base-Base interactions energy: -743.469
where: short stacking energy: -357.574
Base-Backbone interact. energy: -1.583
local terms energy: -491.749669
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -135.928
flat angles C4'-P-C4' energy: -104.574
flat angles P-C4'-P energy: -67.963
tors. eta vs tors. theta energy: -62.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -795.365974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.365974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.365974 (E_RNA)
where:
Base-Base interactions energy: -395.161
where: short stacking energy: -224.443
Base-Backbone interact. energy: 4.047
local terms energy: -404.252101
where:
bonds (distance) C4'-P energy: -102.706
bonds (distance) P-C4' energy: -118.148
flat angles C4'-P-C4' energy: -111.941
flat angles P-C4'-P energy: -85.403
tors. eta vs tors. theta energy: 13.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2680.493384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.493384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.493384 (E_RNA)
where:
Base-Base interactions energy: -1877.840
where: short stacking energy: -822.963
Base-Backbone interact. energy: -2.630
local terms energy: -800.023774
where:
bonds (distance) C4'-P energy: -127.839
bonds (distance) P-C4' energy: -126.886
flat angles C4'-P-C4' energy: -184.855
flat angles P-C4'-P energy: -117.651
tors. eta vs tors. theta energy: -242.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2553.651553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.651553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.651553 (E_RNA)
where:
Base-Base interactions energy: -1764.798
where: short stacking energy: -775.041
Base-Backbone interact. energy: -1.725
local terms energy: -787.128748
where:
bonds (distance) C4'-P energy: -131.617
bonds (distance) P-C4' energy: -144.926
flat angles C4'-P-C4' energy: -164.007
flat angles P-C4'-P energy: -123.362
tors. eta vs tors. theta energy: -223.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2482.287796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.287796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.287796 (E_RNA)
where:
Base-Base interactions energy: -1705.443
where: short stacking energy: -763.333
Base-Backbone interact. energy: 0.288
local terms energy: -777.132910
where:
bonds (distance) C4'-P energy: -141.998
bonds (distance) P-C4' energy: -134.318
flat angles C4'-P-C4' energy: -156.345
flat angles P-C4'-P energy: -109.523
tors. eta vs tors. theta energy: -234.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2369.036727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.036727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.036727 (E_RNA)
where:
Base-Base interactions energy: -1618.238
where: short stacking energy: -704.960
Base-Backbone interact. energy: 1.012
local terms energy: -751.810444
where:
bonds (distance) C4'-P energy: -146.093
bonds (distance) P-C4' energy: -138.175
flat angles C4'-P-C4' energy: -162.326
flat angles P-C4'-P energy: -99.326
tors. eta vs tors. theta energy: -205.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2200.473317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.473317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.473317 (E_RNA)
where:
Base-Base interactions energy: -1513.560
where: short stacking energy: -636.215
Base-Backbone interact. energy: -2.473
local terms energy: -684.440274
where:
bonds (distance) C4'-P energy: -117.470
bonds (distance) P-C4' energy: -143.097
flat angles C4'-P-C4' energy: -159.604
flat angles P-C4'-P energy: -95.291
tors. eta vs tors. theta energy: -168.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1972.686823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.686823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.686823 (E_RNA)
where:
Base-Base interactions energy: -1338.865
where: short stacking energy: -573.059
Base-Backbone interact. energy: -2.697
local terms energy: -631.124014
where:
bonds (distance) C4'-P energy: -98.848
bonds (distance) P-C4' energy: -141.294
flat angles C4'-P-C4' energy: -147.567
flat angles P-C4'-P energy: -78.768
tors. eta vs tors. theta energy: -164.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1705.533050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.533050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.533050 (E_RNA)
where:
Base-Base interactions energy: -1131.089
where: short stacking energy: -505.685
Base-Backbone interact. energy: -1.109
local terms energy: -573.335048
where:
bonds (distance) C4'-P energy: -122.501
bonds (distance) P-C4' energy: -134.476
flat angles C4'-P-C4' energy: -121.785
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -114.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1358.106937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.106937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.106937 (E_RNA)
where:
Base-Base interactions energy: -848.958
where: short stacking energy: -417.734
Base-Backbone interact. energy: 1.499
local terms energy: -510.648810
where:
bonds (distance) C4'-P energy: -124.329
bonds (distance) P-C4' energy: -123.379
flat angles C4'-P-C4' energy: -111.293
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -74.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1245.521301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.521301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.521301 (E_RNA)
where:
Base-Base interactions energy: -767.293
where: short stacking energy: -375.658
Base-Backbone interact. energy: -1.046
local terms energy: -477.183237
where:
bonds (distance) C4'-P energy: -104.415
bonds (distance) P-C4' energy: -107.250
flat angles C4'-P-C4' energy: -116.533
flat angles P-C4'-P energy: -82.787
tors. eta vs tors. theta energy: -66.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -842.592008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.592008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.592008 (E_RNA)
where:
Base-Base interactions energy: -430.323
where: short stacking energy: -224.577
Base-Backbone interact. energy: 3.578
local terms energy: -415.846954
where:
bonds (distance) C4'-P energy: -111.118
bonds (distance) P-C4' energy: -133.617
flat angles C4'-P-C4' energy: -103.992
flat angles P-C4'-P energy: -62.808
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2669.174194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.174194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.174194 (E_RNA)
where:
Base-Base interactions energy: -1851.725
where: short stacking energy: -806.607
Base-Backbone interact. energy: 2.484
local terms energy: -819.933768
where:
bonds (distance) C4'-P energy: -135.021
bonds (distance) P-C4' energy: -156.454
flat angles C4'-P-C4' energy: -171.841
flat angles P-C4'-P energy: -116.967
tors. eta vs tors. theta energy: -239.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2570.482293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.482293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.482293 (E_RNA)
where:
Base-Base interactions energy: -1776.739
where: short stacking energy: -765.317
Base-Backbone interact. energy: -3.922
local terms energy: -789.820874
where:
bonds (distance) C4'-P energy: -152.764
bonds (distance) P-C4' energy: -137.467
flat angles C4'-P-C4' energy: -158.098
flat angles P-C4'-P energy: -111.938
tors. eta vs tors. theta energy: -229.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2466.526628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.526628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.526628 (E_RNA)
where:
Base-Base interactions energy: -1721.089
where: short stacking energy: -751.063
Base-Backbone interact. energy: -3.553
local terms energy: -741.884785
where:
bonds (distance) C4'-P energy: -115.733
bonds (distance) P-C4' energy: -141.452
flat angles C4'-P-C4' energy: -158.695
flat angles P-C4'-P energy: -99.489
tors. eta vs tors. theta energy: -226.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2377.212223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.212223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.212223 (E_RNA)
where:
Base-Base interactions energy: -1665.348
where: short stacking energy: -702.766
Base-Backbone interact. energy: 6.732
local terms energy: -718.595847
where:
bonds (distance) C4'-P energy: -129.999
bonds (distance) P-C4' energy: -138.950
flat angles C4'-P-C4' energy: -153.840
flat angles P-C4'-P energy: -110.668
tors. eta vs tors. theta energy: -185.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2175.849910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.849910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.849910 (E_RNA)
where:
Base-Base interactions energy: -1475.041
where: short stacking energy: -634.622
Base-Backbone interact. energy: -1.727
local terms energy: -699.081791
where:
bonds (distance) C4'-P energy: -125.610
bonds (distance) P-C4' energy: -137.992
flat angles C4'-P-C4' energy: -154.007
flat angles P-C4'-P energy: -98.116
tors. eta vs tors. theta energy: -183.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1964.809447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.809447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.809447 (E_RNA)
where:
Base-Base interactions energy: -1330.405
where: short stacking energy: -570.600
Base-Backbone interact. energy: -1.926
local terms energy: -632.478827
where:
bonds (distance) C4'-P energy: -113.500
bonds (distance) P-C4' energy: -124.218
flat angles C4'-P-C4' energy: -154.558
flat angles P-C4'-P energy: -97.187
tors. eta vs tors. theta energy: -143.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1687.732791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.732791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.732791 (E_RNA)
where:
Base-Base interactions energy: -1102.487
where: short stacking energy: -491.070
Base-Backbone interact. energy: -0.315
local terms energy: -584.930898
where:
bonds (distance) C4'-P energy: -111.478
bonds (distance) P-C4' energy: -130.550
flat angles C4'-P-C4' energy: -128.541
flat angles P-C4'-P energy: -98.908
tors. eta vs tors. theta energy: -115.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1311.404378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.404378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.404378 (E_RNA)
where:
Base-Base interactions energy: -836.135
where: short stacking energy: -411.052
Base-Backbone interact. energy: 2.853
local terms energy: -478.122039
where:
bonds (distance) C4'-P energy: -123.475
bonds (distance) P-C4' energy: -126.165
flat angles C4'-P-C4' energy: -107.012
flat angles P-C4'-P energy: -55.367
tors. eta vs tors. theta energy: -66.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1248.503133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.503133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.503133 (E_RNA)
where:
Base-Base interactions energy: -771.433
where: short stacking energy: -347.358
Base-Backbone interact. energy: -4.157
local terms energy: -472.913720
where:
bonds (distance) C4'-P energy: -107.765
bonds (distance) P-C4' energy: -113.305
flat angles C4'-P-C4' energy: -120.490
flat angles P-C4'-P energy: -70.375
tors. eta vs tors. theta energy: -60.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -823.327683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.327683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.327683 (E_RNA)
where:
Base-Base interactions energy: -405.071
where: short stacking energy: -251.001
Base-Backbone interact. energy: 0.467
local terms energy: -418.724179
where:
bonds (distance) C4'-P energy: -110.674
bonds (distance) P-C4' energy: -122.279
flat angles C4'-P-C4' energy: -101.176
flat angles P-C4'-P energy: -75.314
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2683.435410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.435410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.435410 (E_RNA)
where:
Base-Base interactions energy: -1869.007
where: short stacking energy: -825.552
Base-Backbone interact. energy: -2.078
local terms energy: -812.351015
where:
bonds (distance) C4'-P energy: -138.026
bonds (distance) P-C4' energy: -142.920
flat angles C4'-P-C4' energy: -169.839
flat angles P-C4'-P energy: -119.629
tors. eta vs tors. theta energy: -241.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2556.185929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.185929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.185929 (E_RNA)
where:
Base-Base interactions energy: -1786.330
where: short stacking energy: -746.654
Base-Backbone interact. energy: -0.886
local terms energy: -768.969818
where:
bonds (distance) C4'-P energy: -132.199
bonds (distance) P-C4' energy: -149.170
flat angles C4'-P-C4' energy: -156.720
flat angles P-C4'-P energy: -105.909
tors. eta vs tors. theta energy: -224.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2467.673754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.673754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.673754 (E_RNA)
where:
Base-Base interactions energy: -1668.610
where: short stacking energy: -747.919
Base-Backbone interact. energy: -2.393
local terms energy: -796.670652
where:
bonds (distance) C4'-P energy: -148.202
bonds (distance) P-C4' energy: -164.515
flat angles C4'-P-C4' energy: -155.464
flat angles P-C4'-P energy: -104.917
tors. eta vs tors. theta energy: -223.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2395.812153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.812153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.812153 (E_RNA)
where:
Base-Base interactions energy: -1711.799
where: short stacking energy: -709.022
Base-Backbone interact. energy: -0.259
local terms energy: -683.753703
where:
bonds (distance) C4'-P energy: -134.787
bonds (distance) P-C4' energy: -136.233
flat angles C4'-P-C4' energy: -145.794
flat angles P-C4'-P energy: -77.062
tors. eta vs tors. theta energy: -189.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2176.598455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.598455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.598455 (E_RNA)
where:
Base-Base interactions energy: -1509.486
where: short stacking energy: -653.435
Base-Backbone interact. energy: -0.226
local terms energy: -666.887184
where:
bonds (distance) C4'-P energy: -110.856
bonds (distance) P-C4' energy: -137.635
flat angles C4'-P-C4' energy: -140.675
flat angles P-C4'-P energy: -84.713
tors. eta vs tors. theta energy: -193.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1979.692268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.692268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.692268 (E_RNA)
where:
Base-Base interactions energy: -1381.223
where: short stacking energy: -571.835
Base-Backbone interact. energy: 5.164
local terms energy: -603.633086
where:
bonds (distance) C4'-P energy: -115.623
bonds (distance) P-C4' energy: -120.992
flat angles C4'-P-C4' energy: -125.805
flat angles P-C4'-P energy: -93.302
tors. eta vs tors. theta energy: -147.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1661.732622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.732622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.732622 (E_RNA)
where:
Base-Base interactions energy: -1069.510
where: short stacking energy: -497.839
Base-Backbone interact. energy: -1.194
local terms energy: -591.028301
where:
bonds (distance) C4'-P energy: -121.752
bonds (distance) P-C4' energy: -120.489
flat angles C4'-P-C4' energy: -147.506
flat angles P-C4'-P energy: -88.628
tors. eta vs tors. theta energy: -112.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1279.028296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.028296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.028296 (E_RNA)
where:
Base-Base interactions energy: -783.945
where: short stacking energy: -415.500
Base-Backbone interact. energy: -2.253
local terms energy: -492.830446
where:
bonds (distance) C4'-P energy: -120.933
bonds (distance) P-C4' energy: -99.211
flat angles C4'-P-C4' energy: -146.468
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -84.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1291.682845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.682845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.682845 (E_RNA)
where:
Base-Base interactions energy: -818.922
where: short stacking energy: -364.844
Base-Backbone interact. energy: -2.287
local terms energy: -470.473840
where:
bonds (distance) C4'-P energy: -85.386
bonds (distance) P-C4' energy: -134.958
flat angles C4'-P-C4' energy: -123.841
flat angles P-C4'-P energy: -72.020
tors. eta vs tors. theta energy: -54.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -812.566766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.566766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.566766 (E_RNA)
where:
Base-Base interactions energy: -409.084
where: short stacking energy: -222.852
Base-Backbone interact. energy: 0.331
local terms energy: -403.813997
where:
bonds (distance) C4'-P energy: -121.979
bonds (distance) P-C4' energy: -117.869
flat angles C4'-P-C4' energy: -105.332
flat angles P-C4'-P energy: -66.383
tors. eta vs tors. theta energy: 7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2682.391891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.391891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.391891 (E_RNA)
where:
Base-Base interactions energy: -1840.440
where: short stacking energy: -802.447
Base-Backbone interact. energy: -3.620
local terms energy: -838.332008
where:
bonds (distance) C4'-P energy: -152.707
bonds (distance) P-C4' energy: -137.306
flat angles C4'-P-C4' energy: -174.960
flat angles P-C4'-P energy: -127.948
tors. eta vs tors. theta energy: -245.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2538.580208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.580208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.580208 (E_RNA)
where:
Base-Base interactions energy: -1727.671
where: short stacking energy: -735.747
Base-Backbone interact. energy: -2.746
local terms energy: -808.163169
where:
bonds (distance) C4'-P energy: -142.827
bonds (distance) P-C4' energy: -146.483
flat angles C4'-P-C4' energy: -170.267
flat angles P-C4'-P energy: -110.816
tors. eta vs tors. theta energy: -237.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2479.267652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.267652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.267652 (E_RNA)
where:
Base-Base interactions energy: -1690.644
where: short stacking energy: -784.824
Base-Backbone interact. energy: -1.377
local terms energy: -787.246329
where:
bonds (distance) C4'-P energy: -128.062
bonds (distance) P-C4' energy: -142.542
flat angles C4'-P-C4' energy: -159.107
flat angles P-C4'-P energy: -117.492
tors. eta vs tors. theta energy: -240.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2412.558887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.558887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.558887 (E_RNA)
where:
Base-Base interactions energy: -1681.012
where: short stacking energy: -724.670
Base-Backbone interact. energy: -2.476
local terms energy: -729.071257
where:
bonds (distance) C4'-P energy: -116.731
bonds (distance) P-C4' energy: -148.260
flat angles C4'-P-C4' energy: -158.927
flat angles P-C4'-P energy: -108.881
tors. eta vs tors. theta energy: -196.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2134.203082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.203082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.203082 (E_RNA)
where:
Base-Base interactions energy: -1424.437
where: short stacking energy: -638.873
Base-Backbone interact. energy: -0.365
local terms energy: -709.400645
where:
bonds (distance) C4'-P energy: -140.517
bonds (distance) P-C4' energy: -144.587
flat angles C4'-P-C4' energy: -140.313
flat angles P-C4'-P energy: -114.684
tors. eta vs tors. theta energy: -169.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1972.003135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.003135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.003135 (E_RNA)
where:
Base-Base interactions energy: -1323.585
where: short stacking energy: -562.980
Base-Backbone interact. energy: 2.400
local terms energy: -650.818665
where:
bonds (distance) C4'-P energy: -133.058
bonds (distance) P-C4' energy: -131.905
flat angles C4'-P-C4' energy: -152.710
flat angles P-C4'-P energy: -94.007
tors. eta vs tors. theta energy: -139.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1633.459465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.459465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.459465 (E_RNA)
where:
Base-Base interactions energy: -1043.409
where: short stacking energy: -466.113
Base-Backbone interact. energy: -2.224
local terms energy: -587.826409
where:
bonds (distance) C4'-P energy: -127.055
bonds (distance) P-C4' energy: -120.608
flat angles C4'-P-C4' energy: -145.955
flat angles P-C4'-P energy: -88.222
tors. eta vs tors. theta energy: -105.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1418.926348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.926348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.926348 (E_RNA)
where:
Base-Base interactions energy: -911.866
where: short stacking energy: -416.464
Base-Backbone interact. energy: 0.376
local terms energy: -507.436343
where:
bonds (distance) C4'-P energy: -95.414
bonds (distance) P-C4' energy: -130.395
flat angles C4'-P-C4' energy: -122.879
flat angles P-C4'-P energy: -78.354
tors. eta vs tors. theta energy: -80.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1242.813889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.813889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.813889 (E_RNA)
where:
Base-Base interactions energy: -738.610
where: short stacking energy: -358.749
Base-Backbone interact. energy: 0.127
local terms energy: -504.331019
where:
bonds (distance) C4'-P energy: -130.584
bonds (distance) P-C4' energy: -121.507
flat angles C4'-P-C4' energy: -115.428
flat angles P-C4'-P energy: -70.700
tors. eta vs tors. theta energy: -66.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -779.865357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.865357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.865357 (E_RNA)
where:
Base-Base interactions energy: -390.429
where: short stacking energy: -203.434
Base-Backbone interact. energy: -2.452
local terms energy: -386.984142
where:
bonds (distance) C4'-P energy: -88.193
bonds (distance) P-C4' energy: -119.936
flat angles C4'-P-C4' energy: -104.189
flat angles P-C4'-P energy: -59.968
tors. eta vs tors. theta energy: -14.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2683.366191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.366191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.366191 (E_RNA)
where:
Base-Base interactions energy: -1853.186
where: short stacking energy: -798.121
Base-Backbone interact. energy: -3.355
local terms energy: -826.825761
where:
bonds (distance) C4'-P energy: -156.339
bonds (distance) P-C4' energy: -151.256
flat angles C4'-P-C4' energy: -164.773
flat angles P-C4'-P energy: -117.373
tors. eta vs tors. theta energy: -237.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2564.076067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.076067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.076067 (E_RNA)
where:
Base-Base interactions energy: -1780.868
where: short stacking energy: -729.795
Base-Backbone interact. energy: -2.194
local terms energy: -781.013940
where:
bonds (distance) C4'-P energy: -146.690
bonds (distance) P-C4' energy: -141.817
flat angles C4'-P-C4' energy: -162.965
flat angles P-C4'-P energy: -114.488
tors. eta vs tors. theta energy: -215.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2532.895766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.895766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.895766 (E_RNA)
where:
Base-Base interactions energy: -1733.456
where: short stacking energy: -764.087
Base-Backbone interact. energy: -1.006
local terms energy: -798.434440
where:
bonds (distance) C4'-P energy: -148.450
bonds (distance) P-C4' energy: -150.726
flat angles C4'-P-C4' energy: -167.159
flat angles P-C4'-P energy: -104.424
tors. eta vs tors. theta energy: -227.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2398.214117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.214117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.214117 (E_RNA)
where:
Base-Base interactions energy: -1667.711
where: short stacking energy: -711.210
Base-Backbone interact. energy: -1.249
local terms energy: -729.254292
where:
bonds (distance) C4'-P energy: -136.795
bonds (distance) P-C4' energy: -132.100
flat angles C4'-P-C4' energy: -152.351
flat angles P-C4'-P energy: -108.142
tors. eta vs tors. theta energy: -199.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2081.831165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.831165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.831165 (E_RNA)
where:
Base-Base interactions energy: -1404.462
where: short stacking energy: -628.803
Base-Backbone interact. energy: -2.033
local terms energy: -675.335439
where:
bonds (distance) C4'-P energy: -123.126
bonds (distance) P-C4' energy: -126.138
flat angles C4'-P-C4' energy: -154.796
flat angles P-C4'-P energy: -98.021
tors. eta vs tors. theta energy: -173.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2072.371243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.371243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.371243 (E_RNA)
where:
Base-Base interactions energy: -1424.766
where: short stacking energy: -615.271
Base-Backbone interact. energy: -3.536
local terms energy: -644.069572
where:
bonds (distance) C4'-P energy: -110.157
bonds (distance) P-C4' energy: -134.030
flat angles C4'-P-C4' energy: -146.972
flat angles P-C4'-P energy: -89.125
tors. eta vs tors. theta energy: -163.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1637.637108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.637108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.637108 (E_RNA)
where:
Base-Base interactions energy: -1093.532
where: short stacking energy: -474.477
Base-Backbone interact. energy: 1.363
local terms energy: -545.468156
where:
bonds (distance) C4'-P energy: -123.680
bonds (distance) P-C4' energy: -109.270
flat angles C4'-P-C4' energy: -127.120
flat angles P-C4'-P energy: -86.402
tors. eta vs tors. theta energy: -98.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1431.662126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.662126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.662126 (E_RNA)
where:
Base-Base interactions energy: -922.655
where: short stacking energy: -403.888
Base-Backbone interact. energy: 2.120
local terms energy: -511.127577
where:
bonds (distance) C4'-P energy: -130.822
bonds (distance) P-C4' energy: -96.569
flat angles C4'-P-C4' energy: -128.091
flat angles P-C4'-P energy: -70.490
tors. eta vs tors. theta energy: -85.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1264.299514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.299514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.299514 (E_RNA)
where:
Base-Base interactions energy: -746.962
where: short stacking energy: -365.816
Base-Backbone interact. energy: 2.181
local terms energy: -519.518339
where:
bonds (distance) C4'-P energy: -126.494
bonds (distance) P-C4' energy: -131.059
flat angles C4'-P-C4' energy: -119.180
flat angles P-C4'-P energy: -75.529
tors. eta vs tors. theta energy: -67.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -736.064537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.064537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.064537 (E_RNA)
where:
Base-Base interactions energy: -367.036
where: short stacking energy: -207.630
Base-Backbone interact. energy: -0.121
local terms energy: -368.906678
where:
bonds (distance) C4'-P energy: -95.575
bonds (distance) P-C4' energy: -128.652
flat angles C4'-P-C4' energy: -96.893
flat angles P-C4'-P energy: -54.380
tors. eta vs tors. theta energy: 6.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2689.730960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.730960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.730960 (E_RNA)
where:
Base-Base interactions energy: -1867.649
where: short stacking energy: -812.746
Base-Backbone interact. energy: -2.066
local terms energy: -820.015423
where:
bonds (distance) C4'-P energy: -152.431
bonds (distance) P-C4' energy: -137.245
flat angles C4'-P-C4' energy: -170.753
flat angles P-C4'-P energy: -114.692
tors. eta vs tors. theta energy: -244.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2509.331277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.331277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.331277 (E_RNA)
where:
Base-Base interactions energy: -1724.361
where: short stacking energy: -697.762
Base-Backbone interact. energy: -1.743
local terms energy: -783.227397
where:
bonds (distance) C4'-P energy: -144.406
bonds (distance) P-C4' energy: -141.509
flat angles C4'-P-C4' energy: -172.620
flat angles P-C4'-P energy: -109.751
tors. eta vs tors. theta energy: -214.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2449.919222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.919222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.919222 (E_RNA)
where:
Base-Base interactions energy: -1676.112
where: short stacking energy: -753.655
Base-Backbone interact. energy: 1.753
local terms energy: -775.559417
where:
bonds (distance) C4'-P energy: -121.028
bonds (distance) P-C4' energy: -139.019
flat angles C4'-P-C4' energy: -166.557
flat angles P-C4'-P energy: -114.054
tors. eta vs tors. theta energy: -234.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2366.125748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.125748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.125748 (E_RNA)
where:
Base-Base interactions energy: -1670.918
where: short stacking energy: -707.957
Base-Backbone interact. energy: 1.844
local terms energy: -697.051216
where:
bonds (distance) C4'-P energy: -119.940
bonds (distance) P-C4' energy: -125.978
flat angles C4'-P-C4' energy: -151.941
flat angles P-C4'-P energy: -96.231
tors. eta vs tors. theta energy: -202.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2045.020396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.020396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.020396 (E_RNA)
where:
Base-Base interactions energy: -1378.792
where: short stacking energy: -620.223
Base-Backbone interact. energy: -1.004
local terms energy: -665.224018
where:
bonds (distance) C4'-P energy: -124.809
bonds (distance) P-C4' energy: -116.091
flat angles C4'-P-C4' energy: -142.939
flat angles P-C4'-P energy: -109.519
tors. eta vs tors. theta energy: -171.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2030.826456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.826456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.826456 (E_RNA)
where:
Base-Base interactions energy: -1377.398
where: short stacking energy: -622.268
Base-Backbone interact. energy: -2.658
local terms energy: -650.770350
where:
bonds (distance) C4'-P energy: -128.929
bonds (distance) P-C4' energy: -123.605
flat angles C4'-P-C4' energy: -146.943
flat angles P-C4'-P energy: -76.850
tors. eta vs tors. theta energy: -174.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1696.739529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.739529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.739529 (E_RNA)
where:
Base-Base interactions energy: -1119.259
where: short stacking energy: -532.640
Base-Backbone interact. energy: -4.257
local terms energy: -573.223471
where:
bonds (distance) C4'-P energy: -128.043
bonds (distance) P-C4' energy: -119.493
flat angles C4'-P-C4' energy: -134.440
flat angles P-C4'-P energy: -68.766
tors. eta vs tors. theta energy: -122.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1434.419651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.419651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.419651 (E_RNA)
where:
Base-Base interactions energy: -932.436
where: short stacking energy: -424.305
Base-Backbone interact. energy: -1.392
local terms energy: -500.591393
where:
bonds (distance) C4'-P energy: -112.584
bonds (distance) P-C4' energy: -103.880
flat angles C4'-P-C4' energy: -130.028
flat angles P-C4'-P energy: -77.308
tors. eta vs tors. theta energy: -76.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1138.439640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.439640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.439640 (E_RNA)
where:
Base-Base interactions energy: -693.940
where: short stacking energy: -342.299
Base-Backbone interact. energy: -2.080
local terms energy: -442.419716
where:
bonds (distance) C4'-P energy: -106.027
bonds (distance) P-C4' energy: -134.634
flat angles C4'-P-C4' energy: -94.422
flat angles P-C4'-P energy: -60.482
tors. eta vs tors. theta energy: -46.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -789.787606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.787606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.787606 (E_RNA)
where:
Base-Base interactions energy: -413.082
where: short stacking energy: -227.022
Base-Backbone interact. energy: -1.944
local terms energy: -374.761165
where:
bonds (distance) C4'-P energy: -118.520
bonds (distance) P-C4' energy: -127.707
flat angles C4'-P-C4' energy: -94.183
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: 11.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2735.092424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2735.092424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2735.092424 (E_RNA)
where:
Base-Base interactions energy: -1887.035
where: short stacking energy: -833.869
Base-Backbone interact. energy: -3.602
local terms energy: -844.455772
where:
bonds (distance) C4'-P energy: -141.723
bonds (distance) P-C4' energy: -157.509
flat angles C4'-P-C4' energy: -175.260
flat angles P-C4'-P energy: -119.158
tors. eta vs tors. theta energy: -250.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2522.942972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.942972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.942972 (E_RNA)
where:
Base-Base interactions energy: -1739.918
where: short stacking energy: -737.272
Base-Backbone interact. energy: 0.904
local terms energy: -783.928976
where:
bonds (distance) C4'-P energy: -119.511
bonds (distance) P-C4' energy: -149.507
flat angles C4'-P-C4' energy: -174.158
flat angles P-C4'-P energy: -116.399
tors. eta vs tors. theta energy: -224.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2442.460707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.460707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.460707 (E_RNA)
where:
Base-Base interactions energy: -1673.839
where: short stacking energy: -737.382
Base-Backbone interact. energy: -2.846
local terms energy: -765.776234
where:
bonds (distance) C4'-P energy: -134.490
bonds (distance) P-C4' energy: -157.331
flat angles C4'-P-C4' energy: -158.164
flat angles P-C4'-P energy: -92.680
tors. eta vs tors. theta energy: -223.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2361.844410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.844410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.844410 (E_RNA)
where:
Base-Base interactions energy: -1628.920
where: short stacking energy: -699.680
Base-Backbone interact. energy: -3.829
local terms energy: -729.095154
where:
bonds (distance) C4'-P energy: -136.478
bonds (distance) P-C4' energy: -136.522
flat angles C4'-P-C4' energy: -157.439
flat angles P-C4'-P energy: -99.451
tors. eta vs tors. theta energy: -199.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2041.563413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.563413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.563413 (E_RNA)
where:
Base-Base interactions energy: -1364.844
where: short stacking energy: -596.470
Base-Backbone interact. energy: 0.928
local terms energy: -677.647398
where:
bonds (distance) C4'-P energy: -126.976
bonds (distance) P-C4' energy: -136.335
flat angles C4'-P-C4' energy: -148.041
flat angles P-C4'-P energy: -104.450
tors. eta vs tors. theta energy: -161.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1980.929046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.929046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.929046 (E_RNA)
where:
Base-Base interactions energy: -1347.483
where: short stacking energy: -600.552
Base-Backbone interact. energy: 2.099
local terms energy: -635.544491
where:
bonds (distance) C4'-P energy: -121.857
bonds (distance) P-C4' energy: -119.430
flat angles C4'-P-C4' energy: -144.801
flat angles P-C4'-P energy: -87.689
tors. eta vs tors. theta energy: -161.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1733.412670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.412670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.412670 (E_RNA)
where:
Base-Base interactions energy: -1094.895
where: short stacking energy: -499.622
Base-Backbone interact. energy: -1.516
local terms energy: -637.001881
where:
bonds (distance) C4'-P energy: -131.291
bonds (distance) P-C4' energy: -127.353
flat angles C4'-P-C4' energy: -153.600
flat angles P-C4'-P energy: -92.663
tors. eta vs tors. theta energy: -132.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1442.956937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.956937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.956937 (E_RNA)
where:
Base-Base interactions energy: -942.896
where: short stacking energy: -450.992
Base-Backbone interact. energy: -2.854
local terms energy: -497.206629
where:
bonds (distance) C4'-P energy: -116.867
bonds (distance) P-C4' energy: -107.881
flat angles C4'-P-C4' energy: -108.249
flat angles P-C4'-P energy: -72.992
tors. eta vs tors. theta energy: -91.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1190.024332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.024332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.024332 (E_RNA)
where:
Base-Base interactions energy: -731.648
where: short stacking energy: -368.539
Base-Backbone interact. energy: -0.532
local terms energy: -457.844122
where:
bonds (distance) C4'-P energy: -115.347
bonds (distance) P-C4' energy: -89.079
flat angles C4'-P-C4' energy: -124.171
flat angles P-C4'-P energy: -70.389
tors. eta vs tors. theta energy: -58.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -816.914089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.914089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.914089 (E_RNA)
where:
Base-Base interactions energy: -414.450
where: short stacking energy: -220.345
Base-Backbone interact. energy: 1.662
local terms energy: -404.126654
where:
bonds (distance) C4'-P energy: -108.880
bonds (distance) P-C4' energy: -127.690
flat angles C4'-P-C4' energy: -111.309
flat angles P-C4'-P energy: -49.671
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2712.689779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.689779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.689779 (E_RNA)
where:
Base-Base interactions energy: -1891.048
where: short stacking energy: -828.602
Base-Backbone interact. energy: 2.143
local terms energy: -823.784962
where:
bonds (distance) C4'-P energy: -142.935
bonds (distance) P-C4' energy: -151.035
flat angles C4'-P-C4' energy: -167.115
flat angles P-C4'-P energy: -114.751
tors. eta vs tors. theta energy: -247.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2546.267045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.267045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.267045 (E_RNA)
where:
Base-Base interactions energy: -1764.030
where: short stacking energy: -740.954
Base-Backbone interact. energy: 2.189
local terms energy: -784.425755
where:
bonds (distance) C4'-P energy: -153.079
bonds (distance) P-C4' energy: -145.032
flat angles C4'-P-C4' energy: -156.317
flat angles P-C4'-P energy: -112.204
tors. eta vs tors. theta energy: -217.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2469.615402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.615402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.615402 (E_RNA)
where:
Base-Base interactions energy: -1720.661
where: short stacking energy: -765.059
Base-Backbone interact. energy: -1.411
local terms energy: -747.543320
where:
bonds (distance) C4'-P energy: -130.873
bonds (distance) P-C4' energy: -125.867
flat angles C4'-P-C4' energy: -155.753
flat angles P-C4'-P energy: -98.364
tors. eta vs tors. theta energy: -236.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2379.197386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.197386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.197386 (E_RNA)
where:
Base-Base interactions energy: -1660.012
where: short stacking energy: -701.123
Base-Backbone interact. energy: -1.928
local terms energy: -717.257776
where:
bonds (distance) C4'-P energy: -114.560
bonds (distance) P-C4' energy: -132.955
flat angles C4'-P-C4' energy: -163.846
flat angles P-C4'-P energy: -113.024
tors. eta vs tors. theta energy: -192.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2050.907598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.907598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.907598 (E_RNA)
where:
Base-Base interactions energy: -1397.455
where: short stacking energy: -589.574
Base-Backbone interact. energy: -2.059
local terms energy: -651.393820
where:
bonds (distance) C4'-P energy: -124.139
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -138.339
flat angles P-C4'-P energy: -99.964
tors. eta vs tors. theta energy: -164.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1976.133662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.133662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.133662 (E_RNA)
where:
Base-Base interactions energy: -1314.633
where: short stacking energy: -559.560
Base-Backbone interact. energy: -1.520
local terms energy: -659.980114
where:
bonds (distance) C4'-P energy: -115.334
bonds (distance) P-C4' energy: -148.972
flat angles C4'-P-C4' energy: -142.406
flat angles P-C4'-P energy: -96.965
tors. eta vs tors. theta energy: -156.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1761.629958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.629958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.629958 (E_RNA)
where:
Base-Base interactions energy: -1167.584
where: short stacking energy: -533.001
Base-Backbone interact. energy: -1.021
local terms energy: -593.025149
where:
bonds (distance) C4'-P energy: -119.953
bonds (distance) P-C4' energy: -125.367
flat angles C4'-P-C4' energy: -131.404
flat angles P-C4'-P energy: -93.641
tors. eta vs tors. theta energy: -122.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1488.594196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.594196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.594196 (E_RNA)
where:
Base-Base interactions energy: -956.567
where: short stacking energy: -448.690
Base-Backbone interact. energy: 0.810
local terms energy: -532.837037
where:
bonds (distance) C4'-P energy: -114.363
bonds (distance) P-C4' energy: -120.441
flat angles C4'-P-C4' energy: -127.600
flat angles P-C4'-P energy: -71.456
tors. eta vs tors. theta energy: -98.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1171.964059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.964059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.964059 (E_RNA)
where:
Base-Base interactions energy: -712.004
where: short stacking energy: -341.751
Base-Backbone interact. energy: 6.342
local terms energy: -466.301669
where:
bonds (distance) C4'-P energy: -129.806
bonds (distance) P-C4' energy: -108.059
flat angles C4'-P-C4' energy: -122.827
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: -53.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -826.265121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.265121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.265121 (E_RNA)
where:
Base-Base interactions energy: -456.796
where: short stacking energy: -253.291
Base-Backbone interact. energy: 4.080
local terms energy: -373.549002
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -121.846
flat angles C4'-P-C4' energy: -85.545
flat angles P-C4'-P energy: -54.290
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2712.858131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.858131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.858131 (E_RNA)
where:
Base-Base interactions energy: -1862.564
where: short stacking energy: -814.727
Base-Backbone interact. energy: -4.988
local terms energy: -845.306877
where:
bonds (distance) C4'-P energy: -151.725
bonds (distance) P-C4' energy: -148.727
flat angles C4'-P-C4' energy: -177.526
flat angles P-C4'-P energy: -120.038
tors. eta vs tors. theta energy: -247.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2578.781761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.781761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.781761 (E_RNA)
where:
Base-Base interactions energy: -1778.721
where: short stacking energy: -759.181
Base-Backbone interact. energy: -1.398
local terms energy: -798.662969
where:
bonds (distance) C4'-P energy: -146.797
bonds (distance) P-C4' energy: -151.792
flat angles C4'-P-C4' energy: -162.168
flat angles P-C4'-P energy: -114.083
tors. eta vs tors. theta energy: -223.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2466.467863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.467863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.467863 (E_RNA)
where:
Base-Base interactions energy: -1695.746
where: short stacking energy: -744.711
Base-Backbone interact. energy: -3.065
local terms energy: -767.656786
where:
bonds (distance) C4'-P energy: -152.109
bonds (distance) P-C4' energy: -140.576
flat angles C4'-P-C4' energy: -158.099
flat angles P-C4'-P energy: -99.473
tors. eta vs tors. theta energy: -217.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2390.218479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.218479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.218479 (E_RNA)
where:
Base-Base interactions energy: -1645.062
where: short stacking energy: -691.991
Base-Backbone interact. energy: 2.052
local terms energy: -747.208848
where:
bonds (distance) C4'-P energy: -148.637
bonds (distance) P-C4' energy: -149.485
flat angles C4'-P-C4' energy: -158.468
flat angles P-C4'-P energy: -108.996
tors. eta vs tors. theta energy: -181.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2087.270874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.270874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.270874 (E_RNA)
where:
Base-Base interactions energy: -1410.185
where: short stacking energy: -604.888
Base-Backbone interact. energy: -0.776
local terms energy: -676.310256
where:
bonds (distance) C4'-P energy: -132.149
bonds (distance) P-C4' energy: -141.299
flat angles C4'-P-C4' energy: -146.965
flat angles P-C4'-P energy: -88.026
tors. eta vs tors. theta energy: -167.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1977.111769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.111769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.111769 (E_RNA)
where:
Base-Base interactions energy: -1355.919
where: short stacking energy: -581.197
Base-Backbone interact. energy: -1.665
local terms energy: -619.528102
where:
bonds (distance) C4'-P energy: -110.466
bonds (distance) P-C4' energy: -120.290
flat angles C4'-P-C4' energy: -140.890
flat angles P-C4'-P energy: -96.388
tors. eta vs tors. theta energy: -151.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1704.447542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.447542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.447542 (E_RNA)
where:
Base-Base interactions energy: -1127.027
where: short stacking energy: -491.987
Base-Backbone interact. energy: 2.303
local terms energy: -579.723387
where:
bonds (distance) C4'-P energy: -128.932
bonds (distance) P-C4' energy: -142.483
flat angles C4'-P-C4' energy: -118.785
flat angles P-C4'-P energy: -78.526
tors. eta vs tors. theta energy: -110.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1503.258064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.258064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.258064 (E_RNA)
where:
Base-Base interactions energy: -957.745
where: short stacking energy: -457.440
Base-Backbone interact. energy: 1.079
local terms energy: -546.592461
where:
bonds (distance) C4'-P energy: -121.318
bonds (distance) P-C4' energy: -132.123
flat angles C4'-P-C4' energy: -127.931
flat angles P-C4'-P energy: -66.708
tors. eta vs tors. theta energy: -98.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1175.110920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.110920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.110920 (E_RNA)
where:
Base-Base interactions energy: -671.263
where: short stacking energy: -324.763
Base-Backbone interact. energy: 3.843
local terms energy: -507.690926
where:
bonds (distance) C4'-P energy: -119.665
bonds (distance) P-C4' energy: -133.413
flat angles C4'-P-C4' energy: -128.459
flat angles P-C4'-P energy: -84.164
tors. eta vs tors. theta energy: -41.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -712.507589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.507589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.507589 (E_RNA)
where:
Base-Base interactions energy: -319.244
where: short stacking energy: -196.750
Base-Backbone interact. energy: 3.584
local terms energy: -396.848091
where:
bonds (distance) C4'-P energy: -115.309
bonds (distance) P-C4' energy: -121.060
flat angles C4'-P-C4' energy: -98.727
flat angles P-C4'-P energy: -55.646
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2716.303957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.303957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.303957 (E_RNA)
where:
Base-Base interactions energy: -1898.309
where: short stacking energy: -806.434
Base-Backbone interact. energy: -4.991
local terms energy: -813.003995
where:
bonds (distance) C4'-P energy: -137.387
bonds (distance) P-C4' energy: -155.071
flat angles C4'-P-C4' energy: -175.483
flat angles P-C4'-P energy: -108.891
tors. eta vs tors. theta energy: -236.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2573.088128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.088128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.088128 (E_RNA)
where:
Base-Base interactions energy: -1782.345
where: short stacking energy: -791.408
Base-Backbone interact. energy: -3.445
local terms energy: -787.299003
where:
bonds (distance) C4'-P energy: -126.916
bonds (distance) P-C4' energy: -162.721
flat angles C4'-P-C4' energy: -158.377
flat angles P-C4'-P energy: -102.165
tors. eta vs tors. theta energy: -237.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2523.216148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.216148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.216148 (E_RNA)
where:
Base-Base interactions energy: -1759.805
where: short stacking energy: -737.528
Base-Backbone interact. energy: 0.466
local terms energy: -763.877622
where:
bonds (distance) C4'-P energy: -137.251
bonds (distance) P-C4' energy: -134.413
flat angles C4'-P-C4' energy: -160.179
flat angles P-C4'-P energy: -108.625
tors. eta vs tors. theta energy: -223.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2339.651490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.651490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.651490 (E_RNA)
where:
Base-Base interactions energy: -1649.489
where: short stacking energy: -690.994
Base-Backbone interact. energy: 2.353
local terms energy: -692.515144
where:
bonds (distance) C4'-P energy: -123.649
bonds (distance) P-C4' energy: -143.068
flat angles C4'-P-C4' energy: -153.320
flat angles P-C4'-P energy: -89.772
tors. eta vs tors. theta energy: -182.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2071.089077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.089077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.089077 (E_RNA)
where:
Base-Base interactions energy: -1399.667
where: short stacking energy: -613.809
Base-Backbone interact. energy: -4.146
local terms energy: -667.276428
where:
bonds (distance) C4'-P energy: -140.789
bonds (distance) P-C4' energy: -120.537
flat angles C4'-P-C4' energy: -146.965
flat angles P-C4'-P energy: -88.414
tors. eta vs tors. theta energy: -170.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2017.722391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.722391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.722391 (E_RNA)
where:
Base-Base interactions energy: -1371.881
where: short stacking energy: -583.270
Base-Backbone interact. energy: -1.941
local terms energy: -643.900642
where:
bonds (distance) C4'-P energy: -123.608
bonds (distance) P-C4' energy: -130.734
flat angles C4'-P-C4' energy: -136.527
flat angles P-C4'-P energy: -103.203
tors. eta vs tors. theta energy: -149.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1691.490790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.490790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.490790 (E_RNA)
where:
Base-Base interactions energy: -1124.419
where: short stacking energy: -490.341
Base-Backbone interact. energy: 6.218
local terms energy: -573.289380
where:
bonds (distance) C4'-P energy: -123.763
bonds (distance) P-C4' energy: -120.246
flat angles C4'-P-C4' energy: -134.701
flat angles P-C4'-P energy: -84.111
tors. eta vs tors. theta energy: -110.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1580.885908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.885908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.885908 (E_RNA)
where:
Base-Base interactions energy: -1025.619
where: short stacking energy: -468.386
Base-Backbone interact. energy: -1.711
local terms energy: -553.555571
where:
bonds (distance) C4'-P energy: -110.000
bonds (distance) P-C4' energy: -87.926
flat angles C4'-P-C4' energy: -142.478
flat angles P-C4'-P energy: -96.988
tors. eta vs tors. theta energy: -116.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1169.730395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.730395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.730395 (E_RNA)
where:
Base-Base interactions energy: -700.952
where: short stacking energy: -347.858
Base-Backbone interact. energy: -1.656
local terms energy: -467.122823
where:
bonds (distance) C4'-P energy: -117.383
bonds (distance) P-C4' energy: -134.028
flat angles C4'-P-C4' energy: -110.755
flat angles P-C4'-P energy: -58.155
tors. eta vs tors. theta energy: -46.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -677.367309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.367309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.367309 (E_RNA)
where:
Base-Base interactions energy: -313.481
where: short stacking energy: -171.231
Base-Backbone interact. energy: -1.909
local terms energy: -361.977422
where:
bonds (distance) C4'-P energy: -94.396
bonds (distance) P-C4' energy: -131.293
flat angles C4'-P-C4' energy: -97.742
flat angles P-C4'-P energy: -48.207
tors. eta vs tors. theta energy: 9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2690.422794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.422794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.422794 (E_RNA)
where:
Base-Base interactions energy: -1897.926
where: short stacking energy: -793.859
Base-Backbone interact. energy: -2.244
local terms energy: -790.252639
where:
bonds (distance) C4'-P energy: -135.655
bonds (distance) P-C4' energy: -134.422
flat angles C4'-P-C4' energy: -164.853
flat angles P-C4'-P energy: -119.433
tors. eta vs tors. theta energy: -235.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2553.589973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.589973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.589973 (E_RNA)
where:
Base-Base interactions energy: -1766.684
where: short stacking energy: -759.438
Base-Backbone interact. energy: -3.335
local terms energy: -783.571015
where:
bonds (distance) C4'-P energy: -130.838
bonds (distance) P-C4' energy: -137.977
flat angles C4'-P-C4' energy: -167.869
flat angles P-C4'-P energy: -114.407
tors. eta vs tors. theta energy: -232.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2520.902862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.902862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.902862 (E_RNA)
where:
Base-Base interactions energy: -1744.634
where: short stacking energy: -725.677
Base-Backbone interact. energy: -1.379
local terms energy: -774.889878
where:
bonds (distance) C4'-P energy: -154.942
bonds (distance) P-C4' energy: -127.762
flat angles C4'-P-C4' energy: -158.087
flat angles P-C4'-P energy: -106.773
tors. eta vs tors. theta energy: -227.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2380.635780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.635780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.635780 (E_RNA)
where:
Base-Base interactions energy: -1671.998
where: short stacking energy: -728.074
Base-Backbone interact. energy: 2.204
local terms energy: -710.841944
where:
bonds (distance) C4'-P energy: -110.439
bonds (distance) P-C4' energy: -123.195
flat angles C4'-P-C4' energy: -169.984
flat angles P-C4'-P energy: -101.309
tors. eta vs tors. theta energy: -205.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2077.625142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.625142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.625142 (E_RNA)
where:
Base-Base interactions energy: -1386.260
where: short stacking energy: -584.658
Base-Backbone interact. energy: -1.052
local terms energy: -690.312903
where:
bonds (distance) C4'-P energy: -122.096
bonds (distance) P-C4' energy: -132.570
flat angles C4'-P-C4' energy: -161.990
flat angles P-C4'-P energy: -111.264
tors. eta vs tors. theta energy: -162.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1971.654590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.654590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.654590 (E_RNA)
where:
Base-Base interactions energy: -1345.384
where: short stacking energy: -574.762
Base-Backbone interact. energy: -0.534
local terms energy: -625.736591
where:
bonds (distance) C4'-P energy: -121.803
bonds (distance) P-C4' energy: -132.819
flat angles C4'-P-C4' energy: -141.770
flat angles P-C4'-P energy: -85.989
tors. eta vs tors. theta energy: -143.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1674.768614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.768614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.768614 (E_RNA)
where:
Base-Base interactions energy: -1130.330
where: short stacking energy: -476.953
Base-Backbone interact. energy: 2.161
local terms energy: -546.599819
where:
bonds (distance) C4'-P energy: -120.325
bonds (distance) P-C4' energy: -139.612
flat angles C4'-P-C4' energy: -116.531
flat angles P-C4'-P energy: -64.549
tors. eta vs tors. theta energy: -105.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1551.952025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.952025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.952025 (E_RNA)
where:
Base-Base interactions energy: -1003.204
where: short stacking energy: -472.826
Base-Backbone interact. energy: -3.216
local terms energy: -545.531225
where:
bonds (distance) C4'-P energy: -128.659
bonds (distance) P-C4' energy: -115.859
flat angles C4'-P-C4' energy: -126.856
flat angles P-C4'-P energy: -85.795
tors. eta vs tors. theta energy: -88.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1130.432399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.432399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.432399 (E_RNA)
where:
Base-Base interactions energy: -679.835
where: short stacking energy: -321.061
Base-Backbone interact. energy: -2.889
local terms energy: -447.709020
where:
bonds (distance) C4'-P energy: -111.494
bonds (distance) P-C4' energy: -132.383
flat angles C4'-P-C4' energy: -113.444
flat angles P-C4'-P energy: -60.417
tors. eta vs tors. theta energy: -29.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -667.720839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.720839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.720839 (E_RNA)
where:
Base-Base interactions energy: -266.284
where: short stacking energy: -182.623
Base-Backbone interact. energy: -3.906
local terms energy: -397.530685
where:
bonds (distance) C4'-P energy: -127.860
bonds (distance) P-C4' energy: -147.836
flat angles C4'-P-C4' energy: -81.704
flat angles P-C4'-P energy: -65.784
tors. eta vs tors. theta energy: 25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2693.608040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.608040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.608040 (E_RNA)
where:
Base-Base interactions energy: -1871.552
where: short stacking energy: -774.497
Base-Backbone interact. energy: -2.386
local terms energy: -819.669336
where:
bonds (distance) C4'-P energy: -141.567
bonds (distance) P-C4' energy: -157.369
flat angles C4'-P-C4' energy: -169.781
flat angles P-C4'-P energy: -123.364
tors. eta vs tors. theta energy: -227.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2561.297389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.297389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.297389 (E_RNA)
where:
Base-Base interactions energy: -1756.389
where: short stacking energy: -739.964
Base-Backbone interact. energy: -3.566
local terms energy: -801.341740
where:
bonds (distance) C4'-P energy: -149.152
bonds (distance) P-C4' energy: -148.175
flat angles C4'-P-C4' energy: -161.852
flat angles P-C4'-P energy: -115.155
tors. eta vs tors. theta energy: -227.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2500.422646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.422646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.422646 (E_RNA)
where:
Base-Base interactions energy: -1703.877
where: short stacking energy: -742.230
Base-Backbone interact. energy: -1.770
local terms energy: -794.775433
where:
bonds (distance) C4'-P energy: -143.761
bonds (distance) P-C4' energy: -140.645
flat angles C4'-P-C4' energy: -166.991
flat angles P-C4'-P energy: -114.475
tors. eta vs tors. theta energy: -228.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2403.724263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.724263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.724263 (E_RNA)
where:
Base-Base interactions energy: -1649.869
where: short stacking energy: -704.455
Base-Backbone interact. energy: 1.264
local terms energy: -755.119348
where:
bonds (distance) C4'-P energy: -145.476
bonds (distance) P-C4' energy: -147.172
flat angles C4'-P-C4' energy: -151.755
flat angles P-C4'-P energy: -111.125
tors. eta vs tors. theta energy: -199.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2162.105053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.105053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.105053 (E_RNA)
where:
Base-Base interactions energy: -1488.378
where: short stacking energy: -641.078
Base-Backbone interact. energy: 1.429
local terms energy: -675.156833
where:
bonds (distance) C4'-P energy: -122.950
bonds (distance) P-C4' energy: -127.341
flat angles C4'-P-C4' energy: -143.798
flat angles P-C4'-P energy: -96.078
tors. eta vs tors. theta energy: -184.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1928.567510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.567510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.567510 (E_RNA)
where:
Base-Base interactions energy: -1323.713
where: short stacking energy: -579.733
Base-Backbone interact. energy: -1.108
local terms energy: -603.747107
where:
bonds (distance) C4'-P energy: -111.101
bonds (distance) P-C4' energy: -126.951
flat angles C4'-P-C4' energy: -126.576
flat angles P-C4'-P energy: -94.329
tors. eta vs tors. theta energy: -144.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1661.286218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.286218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.286218 (E_RNA)
where:
Base-Base interactions energy: -1061.651
where: short stacking energy: -496.781
Base-Backbone interact. energy: -2.281
local terms energy: -597.353939
where:
bonds (distance) C4'-P energy: -132.557
bonds (distance) P-C4' energy: -139.040
flat angles C4'-P-C4' energy: -121.344
flat angles P-C4'-P energy: -93.503
tors. eta vs tors. theta energy: -110.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1501.630440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.630440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.630440 (E_RNA)
where:
Base-Base interactions energy: -986.107
where: short stacking energy: -446.761
Base-Backbone interact. energy: -1.528
local terms energy: -513.996076
where:
bonds (distance) C4'-P energy: -130.081
bonds (distance) P-C4' energy: -105.065
flat angles C4'-P-C4' energy: -116.684
flat angles P-C4'-P energy: -82.909
tors. eta vs tors. theta energy: -79.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1211.314489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.314489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.314489 (E_RNA)
where:
Base-Base interactions energy: -734.250
where: short stacking energy: -343.289
Base-Backbone interact. energy: -2.105
local terms energy: -474.958853
where:
bonds (distance) C4'-P energy: -116.376
bonds (distance) P-C4' energy: -107.776
flat angles C4'-P-C4' energy: -120.300
flat angles P-C4'-P energy: -80.182
tors. eta vs tors. theta energy: -50.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -674.818399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.818399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.818399 (E_RNA)
where:
Base-Base interactions energy: -286.718
where: short stacking energy: -208.774
Base-Backbone interact. energy: -2.401
local terms energy: -385.699468
where:
bonds (distance) C4'-P energy: -104.544
bonds (distance) P-C4' energy: -113.729
flat angles C4'-P-C4' energy: -104.315
flat angles P-C4'-P energy: -80.371
tors. eta vs tors. theta energy: 17.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2684.216163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.216163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.216163 (E_RNA)
where:
Base-Base interactions energy: -1862.069
where: short stacking energy: -814.958
Base-Backbone interact. energy: -5.106
local terms energy: -817.041076
where:
bonds (distance) C4'-P energy: -130.765
bonds (distance) P-C4' energy: -149.568
flat angles C4'-P-C4' energy: -178.243
flat angles P-C4'-P energy: -115.144
tors. eta vs tors. theta energy: -243.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2573.530945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.530945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.530945 (E_RNA)
where:
Base-Base interactions energy: -1776.668
where: short stacking energy: -787.559
Base-Backbone interact. energy: -2.075
local terms energy: -794.788663
where:
bonds (distance) C4'-P energy: -125.424
bonds (distance) P-C4' energy: -147.942
flat angles C4'-P-C4' energy: -171.059
flat angles P-C4'-P energy: -113.490
tors. eta vs tors. theta energy: -236.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2499.111308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.111308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.111308 (E_RNA)
where:
Base-Base interactions energy: -1719.916
where: short stacking energy: -724.455
Base-Backbone interact. energy: -1.769
local terms energy: -777.425559
where:
bonds (distance) C4'-P energy: -136.572
bonds (distance) P-C4' energy: -135.833
flat angles C4'-P-C4' energy: -174.051
flat angles P-C4'-P energy: -96.588
tors. eta vs tors. theta energy: -234.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2436.136029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.136029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.136029 (E_RNA)
where:
Base-Base interactions energy: -1674.178
where: short stacking energy: -736.541
Base-Backbone interact. energy: -1.195
local terms energy: -760.762478
where:
bonds (distance) C4'-P energy: -135.741
bonds (distance) P-C4' energy: -139.365
flat angles C4'-P-C4' energy: -165.620
flat angles P-C4'-P energy: -106.971
tors. eta vs tors. theta energy: -213.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2158.203989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.203989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.203989 (E_RNA)
where:
Base-Base interactions energy: -1459.420
where: short stacking energy: -643.007
Base-Backbone interact. energy: -0.430
local terms energy: -698.353958
where:
bonds (distance) C4'-P energy: -122.306
bonds (distance) P-C4' energy: -135.476
flat angles C4'-P-C4' energy: -156.528
flat angles P-C4'-P energy: -99.455
tors. eta vs tors. theta energy: -184.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1954.514649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.514649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.514649 (E_RNA)
where:
Base-Base interactions energy: -1344.544
where: short stacking energy: -560.185
Base-Backbone interact. energy: -4.805
local terms energy: -605.165718
where:
bonds (distance) C4'-P energy: -113.993
bonds (distance) P-C4' energy: -107.203
flat angles C4'-P-C4' energy: -144.383
flat angles P-C4'-P energy: -97.387
tors. eta vs tors. theta energy: -142.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1737.930644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.930644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.930644 (E_RNA)
where:
Base-Base interactions energy: -1154.594
where: short stacking energy: -494.608
Base-Backbone interact. energy: 0.524
local terms energy: -583.860328
where:
bonds (distance) C4'-P energy: -128.265
bonds (distance) P-C4' energy: -129.460
flat angles C4'-P-C4' energy: -122.562
flat angles P-C4'-P energy: -86.503
tors. eta vs tors. theta energy: -117.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1513.226413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.226413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.226413 (E_RNA)
where:
Base-Base interactions energy: -963.504
where: short stacking energy: -432.946
Base-Backbone interact. energy: 1.126
local terms energy: -550.848424
where:
bonds (distance) C4'-P energy: -114.638
bonds (distance) P-C4' energy: -125.927
flat angles C4'-P-C4' energy: -137.064
flat angles P-C4'-P energy: -79.893
tors. eta vs tors. theta energy: -93.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1143.823384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.823384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.823384 (E_RNA)
where:
Base-Base interactions energy: -694.055
where: short stacking energy: -345.343
Base-Backbone interact. energy: 0.725
local terms energy: -450.493612
where:
bonds (distance) C4'-P energy: -115.196
bonds (distance) P-C4' energy: -117.306
flat angles C4'-P-C4' energy: -116.600
flat angles P-C4'-P energy: -50.681
tors. eta vs tors. theta energy: -50.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -651.773082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.773082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.773082 (E_RNA)
where:
Base-Base interactions energy: -297.894
where: short stacking energy: -201.048
Base-Backbone interact. energy: -2.859
local terms energy: -351.019460
where:
bonds (distance) C4'-P energy: -130.504
bonds (distance) P-C4' energy: -97.406
flat angles C4'-P-C4' energy: -103.894
flat angles P-C4'-P energy: -37.327
tors. eta vs tors. theta energy: 18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2689.725673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.725673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.725673 (E_RNA)
where:
Base-Base interactions energy: -1874.687
where: short stacking energy: -806.328
Base-Backbone interact. energy: -4.255
local terms energy: -810.784211
where:
bonds (distance) C4'-P energy: -144.310
bonds (distance) P-C4' energy: -151.608
flat angles C4'-P-C4' energy: -166.756
flat angles P-C4'-P energy: -117.598
tors. eta vs tors. theta energy: -230.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2574.113912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.113912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.113912 (E_RNA)
where:
Base-Base interactions energy: -1786.202
where: short stacking energy: -785.158
Base-Backbone interact. energy: -3.505
local terms energy: -784.406551
where:
bonds (distance) C4'-P energy: -133.376
bonds (distance) P-C4' energy: -144.922
flat angles C4'-P-C4' energy: -164.222
flat angles P-C4'-P energy: -109.983
tors. eta vs tors. theta energy: -231.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2539.954330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.954330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.954330 (E_RNA)
where:
Base-Base interactions energy: -1747.909
where: short stacking energy: -768.209
Base-Backbone interact. energy: -5.169
local terms energy: -786.876963
where:
bonds (distance) C4'-P energy: -127.006
bonds (distance) P-C4' energy: -159.218
flat angles C4'-P-C4' energy: -159.445
flat angles P-C4'-P energy: -107.488
tors. eta vs tors. theta energy: -233.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2407.339385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.339385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.339385 (E_RNA)
where:
Base-Base interactions energy: -1679.578
where: short stacking energy: -712.583
Base-Backbone interact. energy: -1.892
local terms energy: -725.869122
where:
bonds (distance) C4'-P energy: -129.257
bonds (distance) P-C4' energy: -136.196
flat angles C4'-P-C4' energy: -149.596
flat angles P-C4'-P energy: -108.916
tors. eta vs tors. theta energy: -201.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2175.247189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.247189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.247189 (E_RNA)
where:
Base-Base interactions energy: -1509.420
where: short stacking energy: -659.775
Base-Backbone interact. energy: -3.426
local terms energy: -662.401180
where:
bonds (distance) C4'-P energy: -110.633
bonds (distance) P-C4' energy: -136.042
flat angles C4'-P-C4' energy: -153.084
flat angles P-C4'-P energy: -87.065
tors. eta vs tors. theta energy: -175.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1987.735673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.735673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.735673 (E_RNA)
where:
Base-Base interactions energy: -1372.536
where: short stacking energy: -591.736
Base-Backbone interact. energy: -0.806
local terms energy: -614.394162
where:
bonds (distance) C4'-P energy: -122.040
bonds (distance) P-C4' energy: -132.265
flat angles C4'-P-C4' energy: -129.011
flat angles P-C4'-P energy: -82.233
tors. eta vs tors. theta energy: -148.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1726.708450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.708450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.708450 (E_RNA)
where:
Base-Base interactions energy: -1143.751
where: short stacking energy: -516.071
Base-Backbone interact. energy: -2.428
local terms energy: -580.529567
where:
bonds (distance) C4'-P energy: -125.987
bonds (distance) P-C4' energy: -114.600
flat angles C4'-P-C4' energy: -136.102
flat angles P-C4'-P energy: -84.246
tors. eta vs tors. theta energy: -119.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1562.998955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.998955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.998955 (E_RNA)
where:
Base-Base interactions energy: -1017.304
where: short stacking energy: -452.742
Base-Backbone interact. energy: 1.773
local terms energy: -547.467750
where:
bonds (distance) C4'-P energy: -133.935
bonds (distance) P-C4' energy: -115.912
flat angles C4'-P-C4' energy: -120.190
flat angles P-C4'-P energy: -68.444
tors. eta vs tors. theta energy: -108.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1177.145671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.145671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.145671 (E_RNA)
where:
Base-Base interactions energy: -721.482
where: short stacking energy: -331.866
Base-Backbone interact. energy: -0.120
local terms energy: -455.543144
where:
bonds (distance) C4'-P energy: -136.553
bonds (distance) P-C4' energy: -123.027
flat angles C4'-P-C4' energy: -105.164
flat angles P-C4'-P energy: -60.762
tors. eta vs tors. theta energy: -30.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -632.795593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.795593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.795593 (E_RNA)
where:
Base-Base interactions energy: -233.391
where: short stacking energy: -180.915
Base-Backbone interact. energy: -4.944
local terms energy: -394.460724
where:
bonds (distance) C4'-P energy: -115.125
bonds (distance) P-C4' energy: -129.008
flat angles C4'-P-C4' energy: -112.485
flat angles P-C4'-P energy: -51.426
tors. eta vs tors. theta energy: 13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2676.723732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.723732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.723732 (E_RNA)
where:
Base-Base interactions energy: -1861.740
where: short stacking energy: -786.087
Base-Backbone interact. energy: -4.470
local terms energy: -810.513562
where:
bonds (distance) C4'-P energy: -145.707
bonds (distance) P-C4' energy: -145.748
flat angles C4'-P-C4' energy: -165.279
flat angles P-C4'-P energy: -121.114
tors. eta vs tors. theta energy: -232.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2543.923568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.923568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.923568 (E_RNA)
where:
Base-Base interactions energy: -1750.196
where: short stacking energy: -755.298
Base-Backbone interact. energy: -2.274
local terms energy: -791.453534
where:
bonds (distance) C4'-P energy: -151.811
bonds (distance) P-C4' energy: -141.300
flat angles C4'-P-C4' energy: -156.118
flat angles P-C4'-P energy: -111.965
tors. eta vs tors. theta energy: -230.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2470.330154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.330154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.330154 (E_RNA)
where:
Base-Base interactions energy: -1712.798
where: short stacking energy: -745.554
Base-Backbone interact. energy: -2.273
local terms energy: -755.258626
where:
bonds (distance) C4'-P energy: -134.424
bonds (distance) P-C4' energy: -109.522
flat angles C4'-P-C4' energy: -173.719
flat angles P-C4'-P energy: -107.643
tors. eta vs tors. theta energy: -229.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2429.624311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.624311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.624311 (E_RNA)
where:
Base-Base interactions energy: -1723.145
where: short stacking energy: -725.369
Base-Backbone interact. energy: 3.025
local terms energy: -709.503849
where:
bonds (distance) C4'-P energy: -129.313
bonds (distance) P-C4' energy: -122.476
flat angles C4'-P-C4' energy: -153.050
flat angles P-C4'-P energy: -102.617
tors. eta vs tors. theta energy: -202.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2154.707671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.707671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.707671 (E_RNA)
where:
Base-Base interactions energy: -1470.565
where: short stacking energy: -644.283
Base-Backbone interact. energy: -3.389
local terms energy: -680.753613
where:
bonds (distance) C4'-P energy: -126.766
bonds (distance) P-C4' energy: -143.033
flat angles C4'-P-C4' energy: -144.911
flat angles P-C4'-P energy: -93.757
tors. eta vs tors. theta energy: -172.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1998.668196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.668196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.668196 (E_RNA)
where:
Base-Base interactions energy: -1350.253
where: short stacking energy: -576.684
Base-Backbone interact. energy: -5.497
local terms energy: -642.917798
where:
bonds (distance) C4'-P energy: -127.784
bonds (distance) P-C4' energy: -130.805
flat angles C4'-P-C4' energy: -159.779
flat angles P-C4'-P energy: -78.465
tors. eta vs tors. theta energy: -146.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1651.935592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.935592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.935592 (E_RNA)
where:
Base-Base interactions energy: -1082.446
where: short stacking energy: -491.534
Base-Backbone interact. energy: 1.530
local terms energy: -571.019151
where:
bonds (distance) C4'-P energy: -142.471
bonds (distance) P-C4' energy: -101.191
flat angles C4'-P-C4' energy: -128.932
flat angles P-C4'-P energy: -71.117
tors. eta vs tors. theta energy: -127.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1586.949045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.949045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.949045 (E_RNA)
where:
Base-Base interactions energy: -985.512
where: short stacking energy: -441.709
Base-Backbone interact. energy: 1.033
local terms energy: -602.470816
where:
bonds (distance) C4'-P energy: -121.433
bonds (distance) P-C4' energy: -129.339
flat angles C4'-P-C4' energy: -136.534
flat angles P-C4'-P energy: -104.055
tors. eta vs tors. theta energy: -111.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1148.994776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.994776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.994776 (E_RNA)
where:
Base-Base interactions energy: -691.891
where: short stacking energy: -310.962
Base-Backbone interact. energy: 0.093
local terms energy: -457.196967
where:
bonds (distance) C4'-P energy: -115.749
bonds (distance) P-C4' energy: -120.073
flat angles C4'-P-C4' energy: -106.161
flat angles P-C4'-P energy: -81.905
tors. eta vs tors. theta energy: -33.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -639.264283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.264283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.264283 (E_RNA)
where:
Base-Base interactions energy: -266.736
where: short stacking energy: -185.303
Base-Backbone interact. energy: -0.012
local terms energy: -372.515937
where:
bonds (distance) C4'-P energy: -117.918
bonds (distance) P-C4' energy: -123.409
flat angles C4'-P-C4' energy: -94.001
flat angles P-C4'-P energy: -39.721
tors. eta vs tors. theta energy: 2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2693.109148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.109148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.109148 (E_RNA)
where:
Base-Base interactions energy: -1858.710
where: short stacking energy: -789.172
Base-Backbone interact. energy: -2.307
local terms energy: -832.092711
where:
bonds (distance) C4'-P energy: -151.633
bonds (distance) P-C4' energy: -153.676
flat angles C4'-P-C4' energy: -164.847
flat angles P-C4'-P energy: -123.990
tors. eta vs tors. theta energy: -237.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2530.190238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.190238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.190238 (E_RNA)
where:
Base-Base interactions energy: -1725.593
where: short stacking energy: -766.116
Base-Backbone interact. energy: -3.923
local terms energy: -800.674065
where:
bonds (distance) C4'-P energy: -144.213
bonds (distance) P-C4' energy: -154.114
flat angles C4'-P-C4' energy: -157.893
flat angles P-C4'-P energy: -114.697
tors. eta vs tors. theta energy: -229.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2490.654351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.654351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.654351 (E_RNA)
where:
Base-Base interactions energy: -1718.147
where: short stacking energy: -721.362
Base-Backbone interact. energy: -2.494
local terms energy: -770.013736
where:
bonds (distance) C4'-P energy: -145.734
bonds (distance) P-C4' energy: -140.799
flat angles C4'-P-C4' energy: -167.911
flat angles P-C4'-P energy: -102.289
tors. eta vs tors. theta energy: -213.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2372.477740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.477740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.477740 (E_RNA)
where:
Base-Base interactions energy: -1660.389
where: short stacking energy: -719.246
Base-Backbone interact. energy: -3.011
local terms energy: -709.077296
where:
bonds (distance) C4'-P energy: -120.653
bonds (distance) P-C4' energy: -128.405
flat angles C4'-P-C4' energy: -168.977
flat angles P-C4'-P energy: -85.550
tors. eta vs tors. theta energy: -205.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2175.124537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.124537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.124537 (E_RNA)
where:
Base-Base interactions energy: -1474.475
where: short stacking energy: -650.371
Base-Backbone interact. energy: -2.894
local terms energy: -697.754719
where:
bonds (distance) C4'-P energy: -128.223
bonds (distance) P-C4' energy: -115.491
flat angles C4'-P-C4' energy: -160.423
flat angles P-C4'-P energy: -106.641
tors. eta vs tors. theta energy: -186.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2031.305673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.305673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.305673 (E_RNA)
where:
Base-Base interactions energy: -1366.526
where: short stacking energy: -586.855
Base-Backbone interact. energy: -0.482
local terms energy: -664.298436
where:
bonds (distance) C4'-P energy: -136.670
bonds (distance) P-C4' energy: -125.712
flat angles C4'-P-C4' energy: -132.779
flat angles P-C4'-P energy: -105.314
tors. eta vs tors. theta energy: -163.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1683.926740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.926740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.926740 (E_RNA)
where:
Base-Base interactions energy: -1108.575
where: short stacking energy: -511.687
Base-Backbone interact. energy: 1.303
local terms energy: -576.655232
where:
bonds (distance) C4'-P energy: -115.038
bonds (distance) P-C4' energy: -135.031
flat angles C4'-P-C4' energy: -127.693
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -123.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1572.700479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.700479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.700479 (E_RNA)
where:
Base-Base interactions energy: -1009.863
where: short stacking energy: -478.947
Base-Backbone interact. energy: -2.987
local terms energy: -559.850676
where:
bonds (distance) C4'-P energy: -118.086
bonds (distance) P-C4' energy: -125.572
flat angles C4'-P-C4' energy: -133.843
flat angles P-C4'-P energy: -75.956
tors. eta vs tors. theta energy: -106.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1144.913158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.913158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.913158 (E_RNA)
where:
Base-Base interactions energy: -666.842
where: short stacking energy: -326.274
Base-Backbone interact. energy: -0.651
local terms energy: -477.420193
where:
bonds (distance) C4'-P energy: -109.923
bonds (distance) P-C4' energy: -125.286
flat angles C4'-P-C4' energy: -124.405
flat angles P-C4'-P energy: -68.712
tors. eta vs tors. theta energy: -49.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -644.943543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.943543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.943543 (E_RNA)
where:
Base-Base interactions energy: -265.281
where: short stacking energy: -190.354
Base-Backbone interact. energy: 1.716
local terms energy: -381.378922
where:
bonds (distance) C4'-P energy: -115.164
bonds (distance) P-C4' energy: -119.105
flat angles C4'-P-C4' energy: -90.110
flat angles P-C4'-P energy: -73.591
tors. eta vs tors. theta energy: 16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2694.141073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.141073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.141073 (E_RNA)
where:
Base-Base interactions energy: -1882.704
where: short stacking energy: -787.984
Base-Backbone interact. energy: -3.582
local terms energy: -807.854790
where:
bonds (distance) C4'-P energy: -149.583
bonds (distance) P-C4' energy: -139.727
flat angles C4'-P-C4' energy: -165.210
flat angles P-C4'-P energy: -123.935
tors. eta vs tors. theta energy: -229.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2512.899074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.899074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.899074 (E_RNA)
where:
Base-Base interactions energy: -1737.753
where: short stacking energy: -765.518
Base-Backbone interact. energy: -3.333
local terms energy: -771.812267
where:
bonds (distance) C4'-P energy: -127.278
bonds (distance) P-C4' energy: -158.279
flat angles C4'-P-C4' energy: -156.465
flat angles P-C4'-P energy: -95.971
tors. eta vs tors. theta energy: -233.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2527.542531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.542531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.542531 (E_RNA)
where:
Base-Base interactions energy: -1738.314
where: short stacking energy: -735.696
Base-Backbone interact. energy: -4.757
local terms energy: -784.471888
where:
bonds (distance) C4'-P energy: -136.115
bonds (distance) P-C4' energy: -137.126
flat angles C4'-P-C4' energy: -165.981
flat angles P-C4'-P energy: -116.696
tors. eta vs tors. theta energy: -228.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2376.148371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.148371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.148371 (E_RNA)
where:
Base-Base interactions energy: -1651.854
where: short stacking energy: -719.261
Base-Backbone interact. energy: -3.376
local terms energy: -720.918189
where:
bonds (distance) C4'-P energy: -130.807
bonds (distance) P-C4' energy: -129.217
flat angles C4'-P-C4' energy: -155.368
flat angles P-C4'-P energy: -100.785
tors. eta vs tors. theta energy: -204.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2182.588493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.588493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.588493 (E_RNA)
where:
Base-Base interactions energy: -1475.969
where: short stacking energy: -660.212
Base-Backbone interact. energy: -0.679
local terms energy: -705.940201
where:
bonds (distance) C4'-P energy: -116.653
bonds (distance) P-C4' energy: -142.006
flat angles C4'-P-C4' energy: -143.230
flat angles P-C4'-P energy: -105.039
tors. eta vs tors. theta energy: -199.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1981.087441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.087441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.087441 (E_RNA)
where:
Base-Base interactions energy: -1375.951
where: short stacking energy: -564.783
Base-Backbone interact. energy: -2.150
local terms energy: -602.986339
where:
bonds (distance) C4'-P energy: -116.027
bonds (distance) P-C4' energy: -122.209
flat angles C4'-P-C4' energy: -137.518
flat angles P-C4'-P energy: -75.582
tors. eta vs tors. theta energy: -151.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1614.588658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.588658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.588658 (E_RNA)
where:
Base-Base interactions energy: -1029.309
where: short stacking energy: -465.413
Base-Backbone interact. energy: 1.450
local terms energy: -586.729476
where:
bonds (distance) C4'-P energy: -139.537
bonds (distance) P-C4' energy: -132.754
flat angles C4'-P-C4' energy: -133.102
flat angles P-C4'-P energy: -84.116
tors. eta vs tors. theta energy: -97.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1528.244430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.244430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.244430 (E_RNA)
where:
Base-Base interactions energy: -965.687
where: short stacking energy: -450.043
Base-Backbone interact. energy: 5.750
local terms energy: -568.307886
where:
bonds (distance) C4'-P energy: -128.107
bonds (distance) P-C4' energy: -133.572
flat angles C4'-P-C4' energy: -132.259
flat angles P-C4'-P energy: -78.533
tors. eta vs tors. theta energy: -95.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1089.606988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.606988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.606988 (E_RNA)
where:
Base-Base interactions energy: -624.626
where: short stacking energy: -296.589
Base-Backbone interact. energy: 5.555
local terms energy: -470.536421
where:
bonds (distance) C4'-P energy: -115.237
bonds (distance) P-C4' energy: -133.922
flat angles C4'-P-C4' energy: -132.211
flat angles P-C4'-P energy: -72.921
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -631.360710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.360710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.360710 (E_RNA)
where:
Base-Base interactions energy: -259.150
where: short stacking energy: -164.759
Base-Backbone interact. energy: 1.044
local terms energy: -373.254909
where:
bonds (distance) C4'-P energy: -125.367
bonds (distance) P-C4' energy: -103.879
flat angles C4'-P-C4' energy: -98.888
flat angles P-C4'-P energy: -67.358
tors. eta vs tors. theta energy: 22.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2696.062776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.062776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.062776 (E_RNA)
where:
Base-Base interactions energy: -1881.124
where: short stacking energy: -797.079
Base-Backbone interact. energy: -1.227
local terms energy: -813.711410
where:
bonds (distance) C4'-P energy: -139.461
bonds (distance) P-C4' energy: -145.479
flat angles C4'-P-C4' energy: -174.302
flat angles P-C4'-P energy: -115.547
tors. eta vs tors. theta energy: -238.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2569.865936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.865936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.865936 (E_RNA)
where:
Base-Base interactions energy: -1792.867
where: short stacking energy: -766.813
Base-Backbone interact. energy: 0.603
local terms energy: -777.602042
where:
bonds (distance) C4'-P energy: -130.507
bonds (distance) P-C4' energy: -142.396
flat angles C4'-P-C4' energy: -159.803
flat angles P-C4'-P energy: -112.170
tors. eta vs tors. theta energy: -232.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2475.955971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.955971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.955971 (E_RNA)
where:
Base-Base interactions energy: -1674.464
where: short stacking energy: -737.862
Base-Backbone interact. energy: -3.378
local terms energy: -798.114081
where:
bonds (distance) C4'-P energy: -148.821
bonds (distance) P-C4' energy: -138.010
flat angles C4'-P-C4' energy: -161.995
flat angles P-C4'-P energy: -123.171
tors. eta vs tors. theta energy: -226.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2381.295813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.295813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.295813 (E_RNA)
where:
Base-Base interactions energy: -1640.297
where: short stacking energy: -682.975
Base-Backbone interact. energy: -3.851
local terms energy: -737.147295
where:
bonds (distance) C4'-P energy: -127.434
bonds (distance) P-C4' energy: -140.403
flat angles C4'-P-C4' energy: -163.491
flat angles P-C4'-P energy: -108.092
tors. eta vs tors. theta energy: -197.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2152.542608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.542608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.542608 (E_RNA)
where:
Base-Base interactions energy: -1458.671
where: short stacking energy: -643.380
Base-Backbone interact. energy: -3.283
local terms energy: -690.588688
where:
bonds (distance) C4'-P energy: -132.425
bonds (distance) P-C4' energy: -132.986
flat angles C4'-P-C4' energy: -136.285
flat angles P-C4'-P energy: -107.312
tors. eta vs tors. theta energy: -181.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2025.786598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.786598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.786598 (E_RNA)
where:
Base-Base interactions energy: -1376.107
where: short stacking energy: -598.144
Base-Backbone interact. energy: 0.623
local terms energy: -650.302109
where:
bonds (distance) C4'-P energy: -120.740
bonds (distance) P-C4' energy: -129.690
flat angles C4'-P-C4' energy: -150.072
flat angles P-C4'-P energy: -84.513
tors. eta vs tors. theta energy: -165.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1593.483542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.483542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.483542 (E_RNA)
where:
Base-Base interactions energy: -1009.078
where: short stacking energy: -453.080
Base-Backbone interact. energy: -1.566
local terms energy: -582.839871
where:
bonds (distance) C4'-P energy: -130.110
bonds (distance) P-C4' energy: -130.983
flat angles C4'-P-C4' energy: -142.757
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -104.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1520.856975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.856975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.856975 (E_RNA)
where:
Base-Base interactions energy: -995.670
where: short stacking energy: -455.903
Base-Backbone interact. energy: 1.673
local terms energy: -526.859625
where:
bonds (distance) C4'-P energy: -115.473
bonds (distance) P-C4' energy: -109.411
flat angles C4'-P-C4' energy: -127.967
flat angles P-C4'-P energy: -80.344
tors. eta vs tors. theta energy: -93.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1105.618366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.618366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.618366 (E_RNA)
where:
Base-Base interactions energy: -644.353
where: short stacking energy: -304.255
Base-Backbone interact. energy: 2.243
local terms energy: -463.509087
where:
bonds (distance) C4'-P energy: -102.420
bonds (distance) P-C4' energy: -131.012
flat angles C4'-P-C4' energy: -115.079
flat angles P-C4'-P energy: -66.162
tors. eta vs tors. theta energy: -48.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -568.948587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.948587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.948587 (E_RNA)
where:
Base-Base interactions energy: -209.740
where: short stacking energy: -158.086
Base-Backbone interact. energy: -1.871
local terms energy: -357.337342
where:
bonds (distance) C4'-P energy: -117.543
bonds (distance) P-C4' energy: -127.221
flat angles C4'-P-C4' energy: -93.385
flat angles P-C4'-P energy: -50.120
tors. eta vs tors. theta energy: 30.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2661.230684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.230684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.230684 (E_RNA)
where:
Base-Base interactions energy: -1835.820
where: short stacking energy: -804.331
Base-Backbone interact. energy: -2.895
local terms energy: -822.515258
where:
bonds (distance) C4'-P energy: -132.301
bonds (distance) P-C4' energy: -145.427
flat angles C4'-P-C4' energy: -177.113
flat angles P-C4'-P energy: -125.711
tors. eta vs tors. theta energy: -241.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2550.021837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.021837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.021837 (E_RNA)
where:
Base-Base interactions energy: -1747.325
where: short stacking energy: -753.132
Base-Backbone interact. energy: -3.094
local terms energy: -799.602400
where:
bonds (distance) C4'-P energy: -139.096
bonds (distance) P-C4' energy: -143.687
flat angles C4'-P-C4' energy: -162.684
flat angles P-C4'-P energy: -122.741
tors. eta vs tors. theta energy: -231.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2497.814554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.814554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.814554 (E_RNA)
where:
Base-Base interactions energy: -1742.183
where: short stacking energy: -751.696
Base-Backbone interact. energy: -0.331
local terms energy: -755.300271
where:
bonds (distance) C4'-P energy: -142.377
bonds (distance) P-C4' energy: -137.984
flat angles C4'-P-C4' energy: -146.351
flat angles P-C4'-P energy: -105.735
tors. eta vs tors. theta energy: -222.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2415.995635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.995635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.995635 (E_RNA)
where:
Base-Base interactions energy: -1664.609
where: short stacking energy: -723.343
Base-Backbone interact. energy: -2.613
local terms energy: -748.772835
where:
bonds (distance) C4'-P energy: -136.405
bonds (distance) P-C4' energy: -141.485
flat angles C4'-P-C4' energy: -162.905
flat angles P-C4'-P energy: -99.854
tors. eta vs tors. theta energy: -208.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2221.696946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.696946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.696946 (E_RNA)
where:
Base-Base interactions energy: -1502.842
where: short stacking energy: -673.044
Base-Backbone interact. energy: -1.451
local terms energy: -717.404326
where:
bonds (distance) C4'-P energy: -140.323
bonds (distance) P-C4' energy: -141.099
flat angles C4'-P-C4' energy: -146.207
flat angles P-C4'-P energy: -110.203
tors. eta vs tors. theta energy: -179.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2025.328086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.328086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.328086 (E_RNA)
where:
Base-Base interactions energy: -1369.916
where: short stacking energy: -589.557
Base-Backbone interact. energy: -0.916
local terms energy: -654.495598
where:
bonds (distance) C4'-P energy: -129.274
bonds (distance) P-C4' energy: -131.197
flat angles C4'-P-C4' energy: -146.706
flat angles P-C4'-P energy: -83.609
tors. eta vs tors. theta energy: -163.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1663.549585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.549585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.549585 (E_RNA)
where:
Base-Base interactions energy: -1074.285
where: short stacking energy: -481.641
Base-Backbone interact. energy: 4.005
local terms energy: -593.268751
where:
bonds (distance) C4'-P energy: -128.932
bonds (distance) P-C4' energy: -136.785
flat angles C4'-P-C4' energy: -143.453
flat angles P-C4'-P energy: -76.365
tors. eta vs tors. theta energy: -107.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1411.888349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.888349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.888349 (E_RNA)
where:
Base-Base interactions energy: -892.002
where: short stacking energy: -372.707
Base-Backbone interact. energy: 0.032
local terms energy: -519.918771
where:
bonds (distance) C4'-P energy: -115.928
bonds (distance) P-C4' energy: -128.930
flat angles C4'-P-C4' energy: -112.508
flat angles P-C4'-P energy: -94.353
tors. eta vs tors. theta energy: -68.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1137.964477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.964477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.964477 (E_RNA)
where:
Base-Base interactions energy: -646.976
where: short stacking energy: -328.867
Base-Backbone interact. energy: -0.101
local terms energy: -490.888357
where:
bonds (distance) C4'-P energy: -119.391
bonds (distance) P-C4' energy: -142.217
flat angles C4'-P-C4' energy: -110.783
flat angles P-C4'-P energy: -73.406
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -591.346571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.346571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.346571 (E_RNA)
where:
Base-Base interactions energy: -242.053
where: short stacking energy: -175.374
Base-Backbone interact. energy: -1.723
local terms energy: -347.570336
where:
bonds (distance) C4'-P energy: -114.157
bonds (distance) P-C4' energy: -115.761
flat angles C4'-P-C4' energy: -109.113
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: 32.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2698.506798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.506798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.506798 (E_RNA)
where:
Base-Base interactions energy: -1850.580
where: short stacking energy: -808.853
Base-Backbone interact. energy: -1.598
local terms energy: -846.328361
where:
bonds (distance) C4'-P energy: -149.628
bonds (distance) P-C4' energy: -145.362
flat angles C4'-P-C4' energy: -180.790
flat angles P-C4'-P energy: -118.835
tors. eta vs tors. theta energy: -251.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2536.535660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.535660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.535660 (E_RNA)
where:
Base-Base interactions energy: -1752.885
where: short stacking energy: -749.369
Base-Backbone interact. energy: -3.336
local terms energy: -780.314816
where:
bonds (distance) C4'-P energy: -143.492
bonds (distance) P-C4' energy: -142.067
flat angles C4'-P-C4' energy: -147.539
flat angles P-C4'-P energy: -114.491
tors. eta vs tors. theta energy: -232.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2483.780132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.780132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.780132 (E_RNA)
where:
Base-Base interactions energy: -1706.761
where: short stacking energy: -751.267
Base-Backbone interact. energy: -3.451
local terms energy: -773.568942
where:
bonds (distance) C4'-P energy: -139.928
bonds (distance) P-C4' energy: -145.605
flat angles C4'-P-C4' energy: -152.834
flat angles P-C4'-P energy: -106.256
tors. eta vs tors. theta energy: -228.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2385.104556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.104556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.104556 (E_RNA)
where:
Base-Base interactions energy: -1632.499
where: short stacking energy: -704.661
Base-Backbone interact. energy: -2.039
local terms energy: -750.565941
where:
bonds (distance) C4'-P energy: -133.804
bonds (distance) P-C4' energy: -146.804
flat angles C4'-P-C4' energy: -160.343
flat angles P-C4'-P energy: -99.033
tors. eta vs tors. theta energy: -210.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2172.224943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.224943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.224943 (E_RNA)
where:
Base-Base interactions energy: -1484.667
where: short stacking energy: -634.448
Base-Backbone interact. energy: 0.773
local terms energy: -688.330663
where:
bonds (distance) C4'-P energy: -132.935
bonds (distance) P-C4' energy: -142.938
flat angles C4'-P-C4' energy: -148.311
flat angles P-C4'-P energy: -89.817
tors. eta vs tors. theta energy: -174.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2068.961212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.961212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.961212 (E_RNA)
where:
Base-Base interactions energy: -1412.701
where: short stacking energy: -595.562
Base-Backbone interact. energy: 0.961
local terms energy: -657.220837
where:
bonds (distance) C4'-P energy: -123.793
bonds (distance) P-C4' energy: -139.987
flat angles C4'-P-C4' energy: -132.274
flat angles P-C4'-P energy: -98.203
tors. eta vs tors. theta energy: -162.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1685.499421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.499421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.499421 (E_RNA)
where:
Base-Base interactions energy: -1099.015
where: short stacking energy: -490.108
Base-Backbone interact. energy: -3.179
local terms energy: -583.305624
where:
bonds (distance) C4'-P energy: -100.372
bonds (distance) P-C4' energy: -124.535
flat angles C4'-P-C4' energy: -149.859
flat angles P-C4'-P energy: -85.825
tors. eta vs tors. theta energy: -122.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1464.008896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.008896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.008896 (E_RNA)
where:
Base-Base interactions energy: -940.031
where: short stacking energy: -424.931
Base-Backbone interact. energy: -4.333
local terms energy: -519.644720
where:
bonds (distance) C4'-P energy: -118.626
bonds (distance) P-C4' energy: -132.775
flat angles C4'-P-C4' energy: -111.710
flat angles P-C4'-P energy: -84.038
tors. eta vs tors. theta energy: -72.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1159.919832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.919832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.919832 (E_RNA)
where:
Base-Base interactions energy: -708.709
where: short stacking energy: -329.149
Base-Backbone interact. energy: 1.212
local terms energy: -452.422550
where:
bonds (distance) C4'-P energy: -121.178
bonds (distance) P-C4' energy: -124.769
flat angles C4'-P-C4' energy: -120.389
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -31.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -618.088279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.088279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.088279 (E_RNA)
where:
Base-Base interactions energy: -263.878
where: short stacking energy: -175.011
Base-Backbone interact. energy: 0.624
local terms energy: -354.834704
where:
bonds (distance) C4'-P energy: -116.544
bonds (distance) P-C4' energy: -120.491
flat angles C4'-P-C4' energy: -101.929
flat angles P-C4'-P energy: -52.040
tors. eta vs tors. theta energy: 36.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2654.418576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.418576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.418576 (E_RNA)
where:
Base-Base interactions energy: -1853.342
where: short stacking energy: -820.042
Base-Backbone interact. energy: -4.249
local terms energy: -796.827210
where:
bonds (distance) C4'-P energy: -131.060
bonds (distance) P-C4' energy: -132.547
flat angles C4'-P-C4' energy: -171.655
flat angles P-C4'-P energy: -124.064
tors. eta vs tors. theta energy: -237.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2530.072431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.072431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.072431 (E_RNA)
where:
Base-Base interactions energy: -1738.741
where: short stacking energy: -733.792
Base-Backbone interact. energy: -2.752
local terms energy: -788.579845
where:
bonds (distance) C4'-P energy: -144.071
bonds (distance) P-C4' energy: -134.881
flat angles C4'-P-C4' energy: -169.783
flat angles P-C4'-P energy: -102.826
tors. eta vs tors. theta energy: -237.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2496.020020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.020020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.020020 (E_RNA)
where:
Base-Base interactions energy: -1739.463
where: short stacking energy: -750.554
Base-Backbone interact. energy: -5.678
local terms energy: -750.879342
where:
bonds (distance) C4'-P energy: -125.122
bonds (distance) P-C4' energy: -139.297
flat angles C4'-P-C4' energy: -161.728
flat angles P-C4'-P energy: -96.597
tors. eta vs tors. theta energy: -228.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2398.848565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.848565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.848565 (E_RNA)
where:
Base-Base interactions energy: -1681.886
where: short stacking energy: -734.347
Base-Backbone interact. energy: -3.441
local terms energy: -713.521467
where:
bonds (distance) C4'-P energy: -110.765
bonds (distance) P-C4' energy: -136.102
flat angles C4'-P-C4' energy: -153.337
flat angles P-C4'-P energy: -102.436
tors. eta vs tors. theta energy: -210.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2124.026290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.026290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.026290 (E_RNA)
where:
Base-Base interactions energy: -1438.730
where: short stacking energy: -625.338
Base-Backbone interact. energy: 3.949
local terms energy: -689.245485
where:
bonds (distance) C4'-P energy: -119.378
bonds (distance) P-C4' energy: -127.659
flat angles C4'-P-C4' energy: -140.100
flat angles P-C4'-P energy: -114.179
tors. eta vs tors. theta energy: -187.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2029.795159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.795159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.795159 (E_RNA)
where:
Base-Base interactions energy: -1367.378
where: short stacking energy: -589.427
Base-Backbone interact. energy: 0.638
local terms energy: -663.054672
where:
bonds (distance) C4'-P energy: -131.922
bonds (distance) P-C4' energy: -128.509
flat angles C4'-P-C4' energy: -152.723
flat angles P-C4'-P energy: -84.438
tors. eta vs tors. theta energy: -165.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1651.156830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.156830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.156830 (E_RNA)
where:
Base-Base interactions energy: -1026.862
where: short stacking energy: -480.464
Base-Backbone interact. energy: -1.168
local terms energy: -623.126652
where:
bonds (distance) C4'-P energy: -132.974
bonds (distance) P-C4' energy: -147.862
flat angles C4'-P-C4' energy: -136.769
flat angles P-C4'-P energy: -76.552
tors. eta vs tors. theta energy: -128.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1445.175232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.175232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.175232 (E_RNA)
where:
Base-Base interactions energy: -885.857
where: short stacking energy: -396.667
Base-Backbone interact. energy: -0.403
local terms energy: -558.915801
where:
bonds (distance) C4'-P energy: -133.926
bonds (distance) P-C4' energy: -136.509
flat angles C4'-P-C4' energy: -127.470
flat angles P-C4'-P energy: -72.164
tors. eta vs tors. theta energy: -88.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1179.231649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.231649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.231649 (E_RNA)
where:
Base-Base interactions energy: -743.683
where: short stacking energy: -348.948
Base-Backbone interact. energy: -0.793
local terms energy: -434.754952
where:
bonds (distance) C4'-P energy: -86.781
bonds (distance) P-C4' energy: -126.379
flat angles C4'-P-C4' energy: -94.243
flat angles P-C4'-P energy: -70.283
tors. eta vs tors. theta energy: -57.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -650.683542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.683542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.683542 (E_RNA)
where:
Base-Base interactions energy: -265.673
where: short stacking energy: -178.347
Base-Backbone interact. energy: -2.095
local terms energy: -382.915118
where:
bonds (distance) C4'-P energy: -109.969
bonds (distance) P-C4' energy: -109.953
flat angles C4'-P-C4' energy: -105.295
flat angles P-C4'-P energy: -70.823
tors. eta vs tors. theta energy: 13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2696.554125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.554125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.554125 (E_RNA)
where:
Base-Base interactions energy: -1871.512
where: short stacking energy: -812.489
Base-Backbone interact. energy: -0.440
local terms energy: -824.602641
where:
bonds (distance) C4'-P energy: -149.289
bonds (distance) P-C4' energy: -140.758
flat angles C4'-P-C4' energy: -180.117
flat angles P-C4'-P energy: -119.534
tors. eta vs tors. theta energy: -234.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2567.847919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.847919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.847919 (E_RNA)
where:
Base-Base interactions energy: -1775.889
where: short stacking energy: -775.189
Base-Backbone interact. energy: -4.105
local terms energy: -787.853246
where:
bonds (distance) C4'-P energy: -134.470
bonds (distance) P-C4' energy: -147.764
flat angles C4'-P-C4' energy: -164.506
flat angles P-C4'-P energy: -108.070
tors. eta vs tors. theta energy: -233.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2466.685918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.685918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.685918 (E_RNA)
where:
Base-Base interactions energy: -1712.571
where: short stacking energy: -735.492
Base-Backbone interact. energy: -1.420
local terms energy: -752.694630
where:
bonds (distance) C4'-P energy: -136.724
bonds (distance) P-C4' energy: -131.381
flat angles C4'-P-C4' energy: -162.410
flat angles P-C4'-P energy: -89.250
tors. eta vs tors. theta energy: -232.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2398.337345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.337345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.337345 (E_RNA)
where:
Base-Base interactions energy: -1662.338
where: short stacking energy: -706.264
Base-Backbone interact. energy: -0.786
local terms energy: -735.213466
where:
bonds (distance) C4'-P energy: -142.720
bonds (distance) P-C4' energy: -133.541
flat angles C4'-P-C4' energy: -166.939
flat angles P-C4'-P energy: -102.069
tors. eta vs tors. theta energy: -189.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2165.406974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.406974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.406974 (E_RNA)
where:
Base-Base interactions energy: -1469.698
where: short stacking energy: -627.051
Base-Backbone interact. energy: -1.427
local terms energy: -694.281357
where:
bonds (distance) C4'-P energy: -133.011
bonds (distance) P-C4' energy: -134.245
flat angles C4'-P-C4' energy: -141.051
flat angles P-C4'-P energy: -101.867
tors. eta vs tors. theta energy: -184.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2054.288154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.288154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.288154 (E_RNA)
where:
Base-Base interactions energy: -1395.794
where: short stacking energy: -594.386
Base-Backbone interact. energy: 4.608
local terms energy: -663.102156
where:
bonds (distance) C4'-P energy: -126.703
bonds (distance) P-C4' energy: -132.764
flat angles C4'-P-C4' energy: -134.997
flat angles P-C4'-P energy: -94.786
tors. eta vs tors. theta energy: -173.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1698.672909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.672909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.672909 (E_RNA)
where:
Base-Base interactions energy: -1123.030
where: short stacking energy: -516.883
Base-Backbone interact. energy: -1.866
local terms energy: -573.776438
where:
bonds (distance) C4'-P energy: -120.959
bonds (distance) P-C4' energy: -129.215
flat angles C4'-P-C4' energy: -133.240
flat angles P-C4'-P energy: -71.313
tors. eta vs tors. theta energy: -119.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1530.895002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.895002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.895002 (E_RNA)
where:
Base-Base interactions energy: -970.963
where: short stacking energy: -474.685
Base-Backbone interact. energy: -3.140
local terms energy: -556.791972
where:
bonds (distance) C4'-P energy: -119.061
bonds (distance) P-C4' energy: -118.610
flat angles C4'-P-C4' energy: -136.291
flat angles P-C4'-P energy: -63.110
tors. eta vs tors. theta energy: -119.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1198.084394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.084394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.084394 (E_RNA)
where:
Base-Base interactions energy: -703.444
where: short stacking energy: -333.180
Base-Backbone interact. energy: 1.333
local terms energy: -495.973008
where:
bonds (distance) C4'-P energy: -105.350
bonds (distance) P-C4' energy: -124.754
flat angles C4'-P-C4' energy: -138.289
flat angles P-C4'-P energy: -84.266
tors. eta vs tors. theta energy: -43.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -578.266694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.266694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.266694 (E_RNA)
where:
Base-Base interactions energy: -198.759
where: short stacking energy: -170.053
Base-Backbone interact. energy: 4.005
local terms energy: -383.512400
where:
bonds (distance) C4'-P energy: -113.627
bonds (distance) P-C4' energy: -128.773
flat angles C4'-P-C4' energy: -96.320
flat angles P-C4'-P energy: -50.766
tors. eta vs tors. theta energy: 5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2698.996695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.996695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.996695 (E_RNA)
where:
Base-Base interactions energy: -1878.609
where: short stacking energy: -804.500
Base-Backbone interact. energy: -1.802
local terms energy: -818.585704
where:
bonds (distance) C4'-P energy: -137.014
bonds (distance) P-C4' energy: -162.511
flat angles C4'-P-C4' energy: -167.783
flat angles P-C4'-P energy: -112.526
tors. eta vs tors. theta energy: -238.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2550.929376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.929376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.929376 (E_RNA)
where:
Base-Base interactions energy: -1745.493
where: short stacking energy: -743.663
Base-Backbone interact. energy: -3.774
local terms energy: -801.662825
where:
bonds (distance) C4'-P energy: -150.234
bonds (distance) P-C4' energy: -151.161
flat angles C4'-P-C4' energy: -152.011
flat angles P-C4'-P energy: -113.397
tors. eta vs tors. theta energy: -234.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2484.102921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.102921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.102921 (E_RNA)
where:
Base-Base interactions energy: -1745.534
where: short stacking energy: -762.125
Base-Backbone interact. energy: -2.969
local terms energy: -735.599688
where:
bonds (distance) C4'-P energy: -118.881
bonds (distance) P-C4' energy: -135.992
flat angles C4'-P-C4' energy: -164.642
flat angles P-C4'-P energy: -101.599
tors. eta vs tors. theta energy: -214.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2380.872856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.872856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.872856 (E_RNA)
where:
Base-Base interactions energy: -1663.043
where: short stacking energy: -684.228
Base-Backbone interact. energy: -2.732
local terms energy: -715.096953
where:
bonds (distance) C4'-P energy: -110.286
bonds (distance) P-C4' energy: -147.604
flat angles C4'-P-C4' energy: -157.253
flat angles P-C4'-P energy: -101.506
tors. eta vs tors. theta energy: -198.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2175.081070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.081070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.081070 (E_RNA)
where:
Base-Base interactions energy: -1493.381
where: short stacking energy: -642.017
Base-Backbone interact. energy: 0.856
local terms energy: -682.556165
where:
bonds (distance) C4'-P energy: -121.361
bonds (distance) P-C4' energy: -131.689
flat angles C4'-P-C4' energy: -152.971
flat angles P-C4'-P energy: -94.030
tors. eta vs tors. theta energy: -182.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2025.588326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.588326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.588326 (E_RNA)
where:
Base-Base interactions energy: -1393.911
where: short stacking energy: -582.392
Base-Backbone interact. energy: -2.137
local terms energy: -629.540219
where:
bonds (distance) C4'-P energy: -121.607
bonds (distance) P-C4' energy: -115.051
flat angles C4'-P-C4' energy: -141.557
flat angles P-C4'-P energy: -88.239
tors. eta vs tors. theta energy: -163.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1654.612760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.612760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.612760 (E_RNA)
where:
Base-Base interactions energy: -1064.870
where: short stacking energy: -488.828
Base-Backbone interact. energy: 2.563
local terms energy: -592.305156
where:
bonds (distance) C4'-P energy: -118.857
bonds (distance) P-C4' energy: -130.936
flat angles C4'-P-C4' energy: -149.926
flat angles P-C4'-P energy: -79.266
tors. eta vs tors. theta energy: -113.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1583.178536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.178536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.178536 (E_RNA)
where:
Base-Base interactions energy: -1026.206
where: short stacking energy: -485.970
Base-Backbone interact. energy: -1.990
local terms energy: -554.982667
where:
bonds (distance) C4'-P energy: -135.966
bonds (distance) P-C4' energy: -135.550
flat angles C4'-P-C4' energy: -112.055
flat angles P-C4'-P energy: -58.687
tors. eta vs tors. theta energy: -112.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1157.489629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.489629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.489629 (E_RNA)
where:
Base-Base interactions energy: -692.526
where: short stacking energy: -322.006
Base-Backbone interact. energy: 3.400
local terms energy: -468.363079
where:
bonds (distance) C4'-P energy: -97.213
bonds (distance) P-C4' energy: -130.267
flat angles C4'-P-C4' energy: -124.765
flat angles P-C4'-P energy: -79.030
tors. eta vs tors. theta energy: -37.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -556.753192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.753192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.753192 (E_RNA)
where:
Base-Base interactions energy: -182.444
where: short stacking energy: -148.306
Base-Backbone interact. energy: -0.751
local terms energy: -373.558176
where:
bonds (distance) C4'-P energy: -124.548
bonds (distance) P-C4' energy: -109.069
flat angles C4'-P-C4' energy: -104.446
flat angles P-C4'-P energy: -54.970
tors. eta vs tors. theta energy: 19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2660.810946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.810946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.810946 (E_RNA)
where:
Base-Base interactions energy: -1850.473
where: short stacking energy: -801.130
Base-Backbone interact. energy: -3.446
local terms energy: -806.892456
where:
bonds (distance) C4'-P energy: -133.931
bonds (distance) P-C4' energy: -149.403
flat angles C4'-P-C4' energy: -165.144
flat angles P-C4'-P energy: -118.787
tors. eta vs tors. theta energy: -239.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2565.287603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.287603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.287603 (E_RNA)
where:
Base-Base interactions energy: -1757.420
where: short stacking energy: -760.749
Base-Backbone interact. energy: -3.856
local terms energy: -804.011773
where:
bonds (distance) C4'-P energy: -130.331
bonds (distance) P-C4' energy: -141.568
flat angles C4'-P-C4' energy: -178.871
flat angles P-C4'-P energy: -117.347
tors. eta vs tors. theta energy: -235.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2499.673519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.673519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.673519 (E_RNA)
where:
Base-Base interactions energy: -1717.497
where: short stacking energy: -730.109
Base-Backbone interact. energy: -2.070
local terms energy: -780.106270
where:
bonds (distance) C4'-P energy: -130.822
bonds (distance) P-C4' energy: -152.587
flat angles C4'-P-C4' energy: -163.111
flat angles P-C4'-P energy: -111.791
tors. eta vs tors. theta energy: -221.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2381.806951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.806951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.806951 (E_RNA)
where:
Base-Base interactions energy: -1671.983
where: short stacking energy: -716.401
Base-Backbone interact. energy: -2.131
local terms energy: -707.692572
where:
bonds (distance) C4'-P energy: -111.479
bonds (distance) P-C4' energy: -133.287
flat angles C4'-P-C4' energy: -147.583
flat angles P-C4'-P energy: -109.100
tors. eta vs tors. theta energy: -206.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2203.417394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.417394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.417394 (E_RNA)
where:
Base-Base interactions energy: -1496.681
where: short stacking energy: -636.624
Base-Backbone interact. energy: -4.715
local terms energy: -702.021771
where:
bonds (distance) C4'-P energy: -127.897
bonds (distance) P-C4' energy: -133.484
flat angles C4'-P-C4' energy: -163.969
flat angles P-C4'-P energy: -94.418
tors. eta vs tors. theta energy: -182.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2028.316638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.316638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.316638 (E_RNA)
where:
Base-Base interactions energy: -1391.608
where: short stacking energy: -594.336
Base-Backbone interact. energy: 2.858
local terms energy: -639.566937
where:
bonds (distance) C4'-P energy: -114.891
bonds (distance) P-C4' energy: -126.332
flat angles C4'-P-C4' energy: -143.402
flat angles P-C4'-P energy: -91.106
tors. eta vs tors. theta energy: -163.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1738.067677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.067677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.067677 (E_RNA)
where:
Base-Base interactions energy: -1119.902
where: short stacking energy: -504.704
Base-Backbone interact. energy: -1.910
local terms energy: -616.255822
where:
bonds (distance) C4'-P energy: -118.777
bonds (distance) P-C4' energy: -135.698
flat angles C4'-P-C4' energy: -136.483
flat angles P-C4'-P energy: -103.989
tors. eta vs tors. theta energy: -121.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1586.705491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.705491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.705491 (E_RNA)
where:
Base-Base interactions energy: -1012.838
where: short stacking energy: -433.375
Base-Backbone interact. energy: 0.363
local terms energy: -574.229867
where:
bonds (distance) C4'-P energy: -133.355
bonds (distance) P-C4' energy: -140.462
flat angles C4'-P-C4' energy: -112.961
flat angles P-C4'-P energy: -91.052
tors. eta vs tors. theta energy: -96.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1201.402494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.402494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.402494 (E_RNA)
where:
Base-Base interactions energy: -735.800
where: short stacking energy: -356.297
Base-Backbone interact. energy: 2.115
local terms energy: -467.717159
where:
bonds (distance) C4'-P energy: -110.830
bonds (distance) P-C4' energy: -132.071
flat angles C4'-P-C4' energy: -106.203
flat angles P-C4'-P energy: -65.918
tors. eta vs tors. theta energy: -52.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -578.223374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.223374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.223374 (E_RNA)
where:
Base-Base interactions energy: -219.717
where: short stacking energy: -147.631
Base-Backbone interact. energy: 4.579
local terms energy: -363.085310
where:
bonds (distance) C4'-P energy: -127.304
bonds (distance) P-C4' energy: -123.498
flat angles C4'-P-C4' energy: -95.893
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: 20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/Snord17-c8d1ea5b_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2660.216742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.216742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.216742 (E_RNA)
where:
Base-Base interactions energy: -1844.987
where: short stacking energy: -793.768
Base-Backbone interact. energy: -1.225
local terms energy: -814.004322
where:
bonds (distance) C4'-P energy: -135.336
bonds (distance) P-C4' energy: -142.788
flat angles C4'-P-C4' energy: -179.488
flat angles P-C4'-P energy: -123.112
tors. eta vs tors. theta energy: -233.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2587.447329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.447329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.447329 (E_RNA)
where:
Base-Base interactions energy: -1777.427
where: short stacking energy: -752.639
Base-Backbone interact. energy: -4.165
local terms energy: -805.855051
where:
bonds (distance) C4'-P energy: -139.066
bonds (distance) P-C4' energy: -146.145
flat angles C4'-P-C4' energy: -162.157
flat angles P-C4'-P energy: -121.424
tors. eta vs tors. theta energy: -237.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2495.668030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.668030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.668030 (E_RNA)
where:
Base-Base interactions energy: -1713.489
where: short stacking energy: -749.722
Base-Backbone interact. energy: -3.266
local terms energy: -778.912735
where:
bonds (distance) C4'-P energy: -132.949
bonds (distance) P-C4' energy: -130.082
flat angles C4'-P-C4' energy: -174.435
flat angles P-C4'-P energy: -110.765
tors. eta vs tors. theta energy: -230.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2428.434256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.434256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.434256 (E_RNA)
where:
Base-Base interactions energy: -1717.497
where: short stacking energy: -720.954
Base-Backbone interact. energy: -2.239
local terms energy: -708.698012
where:
bonds (distance) C4'-P energy: -131.160
bonds (distance) P-C4' energy: -116.910
flat angles C4'-P-C4' energy: -165.143
flat angles P-C4'-P energy: -99.245
tors. eta vs tors. theta energy: -196.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2200.274092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.274092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.274092 (E_RNA)
where:
Base-Base interactions energy: -1501.549
where: short stacking energy: -659.197
Base-Backbone interact. energy: 1.801
local terms energy: -700.525885
where:
bonds (distance) C4'-P energy: -128.363
bonds (distance) P-C4' energy: -117.559
flat angles C4'-P-C4' energy: -142.092
flat angles P-C4'-P energy: -103.352
tors. eta vs tors. theta energy: -209.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1981.742300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.742300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.742300 (E_RNA)
where:
Base-Base interactions energy: -1352.588
where: short stacking energy: -578.094
Base-Backbone interact. energy: 0.498
local terms energy: -629.652640
where:
bonds (distance) C4'-P energy: -124.007
bonds (distance) P-C4' energy: -131.316
flat angles C4'-P-C4' energy: -129.883
flat angles P-C4'-P energy: -90.474
tors. eta vs tors. theta energy: -153.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1727.825906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.825906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.825906 (E_RNA)
where:
Base-Base interactions energy: -1143.037
where: short stacking energy: -517.306
Base-Backbone interact. energy: -1.758
local terms energy: -583.031089
where:
bonds (distance) C4'-P energy: -107.053
bonds (distance) P-C4' energy: -116.227
flat angles C4'-P-C4' energy: -149.165
flat angles P-C4'-P energy: -95.774
tors. eta vs tors. theta energy: -114.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1602.773265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.773265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.773265 (E_RNA)
where:
Base-Base interactions energy: -1073.721
where: short stacking energy: -467.200
Base-Backbone interact. energy: 3.061
local terms energy: -532.113731
where:
bonds (distance) C4'-P energy: -109.339
bonds (distance) P-C4' energy: -117.024
flat angles C4'-P-C4' energy: -122.796
flat angles P-C4'-P energy: -96.399
tors. eta vs tors. theta energy: -86.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1160.375088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.375088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.375088 (E_RNA)
where:
Base-Base interactions energy: -696.389
where: short stacking energy: -343.772
Base-Backbone interact. energy: -2.108
local terms energy: -461.877852
where:
bonds (distance) C4'-P energy: -111.431
bonds (distance) P-C4' energy: -107.575
flat angles C4'-P-C4' energy: -120.857
flat angles P-C4'-P energy: -77.988
tors. eta vs tors. theta energy: -44.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -604.840433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.840433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.840433 (E_RNA)
where:
Base-Base interactions energy: -227.381
where: short stacking energy: -176.945
Base-Backbone interact. energy: 5.752
local terms energy: -383.210920
where:
bonds (distance) C4'-P energy: -113.477
bonds (distance) P-C4' energy: -99.152
flat angles C4'-P-C4' energy: -110.455
flat angles P-C4'-P energy: -76.011
tors. eta vs tors. theta energy: 15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)